NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
654745 | 7b3j | 34577 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASP 1 H1 ASP 1 60.160 28.410 67.810 2 H2 ASP 1 H2 ASP 1 59.100 27.190 67.560 3 H3 ASP 1 H3 ASP 1 58.860 28.300 68.760 4 HA ASP 1 HA ASP 1 60.670 27.520 70.130 5 HB2 ASP 1 HB2 ASP 1 60.040 25.510 70.750 6 HB3 ASP 1 HB1 ASP 1 58.690 26.580 70.660 7 H ALA 2 H ALA 2 62.480 26.660 70.570 8 HA ALA 2 HA ALA 2 64.480 26.210 70.170 9 HB1 ALA 2 HB1 ALA 2 64.980 23.990 69.010 10 HB2 ALA 2 HB2 ALA 2 63.400 23.770 69.820 11 HB3 ALA 2 HB3 ALA 2 63.590 24.170 68.100 12 H GLU 3 H GLU 3 63.780 28.400 69.020 13 HA GLU 3 HA GLU 3 64.850 28.460 66.240 14 HB2 GLU 3 HB2 GLU 3 64.100 30.640 68.100 15 HB3 GLU 3 HB1 GLU 3 64.660 30.870 66.420 16 HG2 GLU 3 HG2 GLU 3 62.600 31.180 65.770 17 HG3 GLU 3 HG1 GLU 3 62.580 29.420 65.680 18 H PHE 4 H PHE 4 65.810 29.550 69.420 19 HA PHE 4 HA PHE 4 67.850 29.970 70.280 20 HB2 PHE 4 HB2 PHE 4 68.780 27.850 68.260 21 HB3 PHE 4 HB1 PHE 4 69.820 28.230 69.540 22 HD1 PHE 4 HD1 PHE 4 67.390 25.990 68.600 23 HD2 PHE 4 HD2 PHE 4 68.840 28.160 71.970 24 HE1 PHE 4 HE1 PHE 4 66.900 24.070 70.170 25 HE2 PHE 4 HE2 PHE 4 67.710 26.520 73.500 26 HZ PHE 4 HZ PHE 4 66.950 24.350 72.560 27 H ARG 5 H ARG 5 67.910 30.640 67.040 28 HA ARG 5 HA ARG 5 70.470 31.280 66.730 29 HB2 ARG 5 HB2 ARG 5 70.050 32.380 64.770 30 HB3 ARG 5 HB1 ARG 5 69.090 30.870 64.920 31 HG2 ARG 5 HG2 ARG 5 67.160 32.190 65.230 32 HG3 ARG 5 HG1 ARG 5 68.070 33.740 65.070 33 HD2 ARG 5 HD2 ARG 5 68.220 31.610 63.060 34 HD3 ARG 5 HD1 ARG 5 66.830 32.750 62.950 35 HE ARG 5 HE ARG 5 69.490 33.910 63.170 36 HH11 ARG 5 1HH1 ARG 5 67.040 33.030 60.720 37 HH12 ARG 5 2HH1 ARG 5 67.860 33.970 59.620 38 HH21 ARG 5 1HH2 ARG 5 70.320 35.250 61.660 39 HH22 ARG 5 2HH2 ARG 5 69.480 35.260 60.090 40 H HIS 6 H HIS 6 68.180 33.620 67.950 41 HA HIS 6 HA HIS 6 68.300 35.570 68.950 42 HB2 HIS 6 HB2 HIS 6 71.160 34.910 69.610 43 HB3 HIS 6 HB1 HIS 6 70.170 35.900 70.550 44 HD2 HIS 6 HD2 HIS 6 67.660 33.330 70.330 45 HE1 HIS 6 HE1 HIS 6 70.120 32.120 73.510 46 HE2 HIS 6 HE2 HIS 6 67.900 31.840 72.410 47 H ASP 7 H ASP 7 70.090 35.250 66.240 48 HA ASP 7 HA ASP 7 71.070 38.130 66.170 49 HB2 ASP 7 HB2 ASP 7 72.560 37.590 64.630 50 HB3 ASP 7 HB1 ASP 7 72.420 36.130 65.650 51 H SER 8 H SER 8 68.210 36.960 65.470 52 HA SER 8 HA SER 8 67.640 39.200 63.910 53 HB2 SER 8 HB2 SER 8 68.590 37.900 61.920 54 HB3 SER 8 HB1 SER 8 67.640 36.540 62.430 55 HG SER 8 HG SER 8 66.820 38.200 60.730 56 H GLY 9 H GLY 9 65.230 39.500 63.600 57 HA2 GLY 9 HA2 GLY 9 63.140 39.310 64.560 58 HA3 GLY 9 HA1 GLY 9 63.470 37.510 64.670 59 H TYR 10 H TYR 10 65.620 39.390 66.670 60 HA TYR 10 HA TYR 10 64.160 38.130 68.950 61 HB2 TYR 10 HB2 TYR 10 65.870 36.790 68.010 62 HB3 TYR 10 HB1 TYR 10 67.050 38.050 68.080 63 HD1 TYR 10 HD1 TYR 10 64.970 35.700 70.080 64 HD2 TYR 10 HD2 TYR 10 68.300 38.530 70.180 65 HE1 TYR 10 HE1 TYR 10 65.400 35.000 72.280 66 HE2 TYR 10 HE2 TYR 10 68.530 38.130 72.590 67 HH TYR 10 HH TYR 10 67.890 35.110 73.720 68 H GLU 11 H GLU 11 66.650 40.690 68.190 69 HA GLU 11 HA GLU 11 66.480 41.510 70.900 70 HB2 GLU 11 HB2 GLU 11 68.640 41.480 69.810 71 HB3 GLU 11 HB1 GLU 11 68.060 42.340 68.430 72 HG2 GLU 11 HG2 GLU 11 69.390 43.710 69.750 73 HG3 GLU 11 HG1 GLU 11 67.820 44.370 69.830 74 H VAL 12 H VAL 12 66.240 43.900 71.410 75 HA VAL 12 HA VAL 12 63.600 44.390 71.190 76 HB VAL 12 HB VAL 12 65.230 45.210 72.980 77 HG11 VAL 12 1HG1 VAL 12 66.930 45.800 71.560 78 HG12 VAL 12 2HG1 VAL 12 66.260 47.330 71.050 79 HG13 VAL 12 3HG1 VAL 12 66.530 47.070 72.780 80 HG21 VAL 12 1HG2 VAL 12 63.590 47.620 71.800 81 HG22 VAL 12 2HG2 VAL 12 62.970 46.400 72.860 82 HG23 VAL 12 3HG2 VAL 12 64.290 47.480 73.400 83 H HIS 13 H HIS 13 66.050 45.490 68.850 84 HA HIS 13 HA HIS 13 64.390 47.540 67.790 85 HB2 HIS 13 HB2 HIS 13 66.110 47.760 66.000 86 HB3 HIS 13 HB1 HIS 13 66.820 47.910 67.630 87 HD2 HIS 13 HD2 HIS 13 68.350 47.360 64.910 88 HE1 HIS 13 HE1 HIS 13 68.920 43.370 66.190 89 HE2 HIS 13 HE2 HIS 13 69.670 45.080 64.560 90 H HIS 14 H HIS 14 64.670 44.270 67.380 91 HA HIS 14 HA HIS 14 63.230 44.150 64.830 92 HB2 HIS 14 HB2 HIS 14 64.630 41.840 66.410 93 HB3 HIS 14 HB1 HIS 14 63.700 41.620 64.970 94 HD2 HIS 14 HD2 HIS 14 65.940 44.790 64.530 95 HE1 HIS 14 HE1 HIS 14 67.440 41.620 62.080 96 HE2 HIS 14 HE2 HIS 14 67.370 44.180 62.570 97 H GLN 15 H GLN 15 62.760 43.420 68.170 98 HA GLN 15 HA GLN 15 60.150 42.190 67.910 99 HB2 GLN 15 HB2 GLN 15 61.380 43.930 70.050 100 HB3 GLN 15 HB1 GLN 15 59.870 43.100 70.310 101 HG2 GLN 15 HG2 GLN 15 62.580 41.920 69.840 102 HG3 GLN 15 HG1 GLN 15 61.860 42.050 71.290 103 HE21 GLN 15 1HE2 GLN 15 62.030 40.060 68.630 104 HE22 GLN 15 2HE2 GLN 15 60.720 39.000 69.080 105 H LYS 16 H LYS 16 61.040 45.820 67.780 106 HA LYS 16 HA LYS 16 58.260 46.670 68.280 107 HB2 LYS 16 HB2 LYS 16 58.850 48.720 67.250 108 HB3 LYS 16 HB1 LYS 16 60.160 48.260 68.250 109 HG2 LYS 16 HG2 LYS 16 61.220 47.400 66.070 110 HG3 LYS 16 HG1 LYS 16 59.770 48.170 65.260 111 HD2 LYS 16 HD2 LYS 16 60.710 50.280 66.420 112 HD3 LYS 16 HD1 LYS 16 62.200 49.300 66.660 113 HE2 LYS 16 HE2 LYS 16 62.070 48.620 64.230 114 HE3 LYS 16 HE1 LYS 16 60.760 49.760 64.020 115 HZ1 LYS 16 HZ1 LYS 16 62.400 51.520 64.790 116 HZ2 LYS 16 HZ2 LYS 16 63.580 50.340 64.680 117 HZ3 LYS 16 HZ3 LYS 16 62.830 50.780 63.370 118 H LEU 17 H LEU 17 59.660 45.320 65.540 119 HA LEU 17 HA LEU 17 57.710 45.970 63.450 120 HB2 LEU 17 HB2 LEU 17 60.010 45.970 63.010 121 HB3 LEU 17 HB1 LEU 17 60.120 44.270 63.610 122 HG LEU 17 HG LEU 17 58.980 43.270 62.020 123 HD11 LEU 17 1HD1 LEU 17 57.290 44.810 61.080 124 HD12 LEU 17 2HD1 LEU 17 58.420 46.110 60.970 125 HD13 LEU 17 3HD1 LEU 17 58.560 44.770 59.800 126 HD21 LEU 17 1HD2 LEU 17 60.600 43.740 60.130 127 HD22 LEU 17 2HD2 LEU 17 61.030 45.310 60.900 128 HD23 LEU 17 3HD2 LEU 17 61.280 43.740 61.730 129 H VAL 18 H VAL 18 58.480 43.010 65.600 130 HA VAL 18 HA VAL 18 56.410 41.380 64.450 131 HB VAL 18 HB VAL 18 57.950 41.320 67.140 132 HG11 VAL 18 1HG1 VAL 18 56.110 39.360 65.800 133 HG12 VAL 18 2HG1 VAL 18 57.200 39.020 67.210 134 HG13 VAL 18 3HG1 VAL 18 55.880 40.160 67.350 135 HG21 VAL 18 1HG2 VAL 18 59.110 39.390 65.800 136 HG22 VAL 18 2HG2 VAL 18 58.340 40.000 64.340 137 HG23 VAL 18 3HG2 VAL 18 59.370 41.050 65.310 138 H PHE 19 H PHE 19 56.500 43.520 67.280 139 HA PHE 19 HA PHE 19 53.660 43.360 67.880 140 HB2 PHE 19 HB2 PHE 19 56.000 45.390 68.220 141 HB3 PHE 19 HB1 PHE 19 54.270 45.760 68.600 142 HD1 PHE 19 HD1 PHE 19 56.960 43.090 69.020 143 HD2 PHE 19 HD2 PHE 19 53.590 45.160 70.720 144 HE1 PHE 19 HE1 PHE 19 57.450 42.140 71.300 145 HE2 PHE 19 HE2 PHE 19 54.180 44.410 72.970 146 HZ PHE 19 HZ PHE 19 55.980 42.800 73.290 147 H PHE 20 H PHE 20 55.110 45.190 65.150 148 HA PHE 20 HA PHE 20 52.720 46.680 64.510 149 HB2 PHE 20 HB2 PHE 20 54.660 47.760 64.360 150 HB3 PHE 20 HB1 PHE 20 55.580 46.530 63.560 151 HD1 PHE 20 HD1 PHE 20 56.000 46.720 61.350 152 HD2 PHE 20 HD2 PHE 20 52.430 48.310 63.060 153 HE1 PHE 20 HE1 PHE 20 55.450 47.800 59.190 154 HE2 PHE 20 HE2 PHE 20 51.800 49.160 60.740 155 HZ PHE 20 HZ PHE 20 53.390 49.040 58.880 156 H ALA 21 H ALA 21 54.250 43.690 63.480 157 HA ALA 21 HA ALA 21 52.520 42.860 61.480 158 HB1 ALA 21 HB1 ALA 21 53.920 41.110 63.370 159 HB2 ALA 21 HB2 ALA 21 53.880 40.920 61.590 160 HB3 ALA 21 HB3 ALA 21 54.840 42.190 62.280 161 H GLU 22 H GLU 22 52.150 42.300 65.110 162 HA GLU 22 HA GLU 22 49.830 40.760 64.650 163 HB2 GLU 22 HB2 GLU 22 51.380 40.520 66.540 164 HB3 GLU 22 HB1 GLU 22 50.900 42.110 67.190 165 HG2 GLU 22 HG2 GLU 22 49.850 40.440 68.450 166 HG3 GLU 22 HG1 GLU 22 48.600 41.360 67.670 167 H ASP 23 H ASP 23 50.200 43.980 65.510 168 HA ASP 23 HA ASP 23 47.470 44.710 65.880 169 HB2 ASP 23 HB2 ASP 23 49.670 45.930 66.420 170 HB3 ASP 23 HB1 ASP 23 49.730 46.470 64.840 171 H VAL 24 H VAL 24 49.470 44.740 62.960 172 HA VAL 24 HA VAL 24 47.190 45.620 61.450 173 HB VAL 24 HB VAL 24 50.020 44.600 60.730 174 HG11 VAL 24 1HG1 VAL 24 47.800 45.580 58.900 175 HG12 VAL 24 2HG1 VAL 24 49.430 45.530 58.250 176 HG13 VAL 24 3HG1 VAL 24 48.670 44.030 58.750 177 HG21 VAL 24 1HG2 VAL 24 49.940 47.080 59.730 178 HG22 VAL 24 2HG2 VAL 24 48.620 47.260 60.830 179 HG23 VAL 24 3HG2 VAL 24 50.300 46.870 61.450 180 H GLY 25 H GLY 25 48.920 42.620 61.960 181 HA2 GLY 25 HA2 GLY 25 48.410 40.390 61.960 182 HA3 GLY 25 HA1 GLY 25 46.730 40.880 61.930 183 H SER 26 H SER 26 47.380 42.300 59.120 184 HA SER 26 HA SER 26 47.090 39.920 57.350 185 HB2 SER 26 HB2 SER 26 46.860 41.510 55.680 186 HB3 SER 26 HB1 SER 26 45.750 41.960 57.060 187 HG SER 26 HG SER 26 47.020 43.770 56.090 188 H ASN 27 H ASN 27 49.650 40.300 58.800 189 HA ASN 27 HA ASN 27 51.450 41.390 57.070 190 HB2 ASN 27 HB2 ASN 27 53.200 40.590 58.550 191 HB3 ASN 27 HB1 ASN 27 51.860 41.190 59.390 192 HD21 ASN 27 1HD2 ASN 27 54.090 39.110 59.790 193 HD22 ASN 27 2HD2 ASN 27 53.360 37.620 60.190 194 H LYS 28 H LYS 28 50.380 38.090 57.240 195 HA LYS 28 HA LYS 28 52.100 37.080 55.130 196 HB2 LYS 28 HB2 LYS 28 49.730 35.650 56.480 197 HB3 LYS 28 HB1 LYS 28 50.970 35.010 55.370 198 HG2 LYS 28 HG2 LYS 28 52.730 35.330 56.770 199 HG3 LYS 28 HG1 LYS 28 51.930 36.290 57.920 200 HD2 LYS 28 HD2 LYS 28 51.320 33.380 57.190 201 HD3 LYS 28 HD1 LYS 28 52.220 33.830 58.530 202 HE2 LYS 28 HE2 LYS 28 49.200 34.090 58.240 203 HE3 LYS 28 HE1 LYS 28 50.250 33.230 59.330 204 HZ1 LYS 28 HZ1 LYS 28 49.080 35.440 60.050 205 HZ2 LYS 28 HZ2 LYS 28 50.710 35.420 60.410 206 HZ3 LYS 28 HZ3 LYS 28 50.190 36.180 59.160 207 H GLY 29 H GLY 29 48.600 37.280 55.320 208 HA2 GLY 29 HA2 GLY 29 47.910 36.940 52.660 209 HA3 GLY 29 HA1 GLY 29 46.910 37.770 53.750 210 H ALA 30 H ALA 30 48.820 40.310 54.070 211 HA ALA 30 HA ALA 30 47.920 41.760 51.850 212 HB1 ALA 30 HB1 ALA 30 49.480 43.440 52.750 213 HB2 ALA 30 HB2 ALA 30 48.600 42.650 53.940 214 HB3 ALA 30 HB3 ALA 30 50.330 42.200 53.680 215 H ILE 31 H ILE 31 51.000 40.200 52.320 216 HA ILE 31 HA ILE 31 52.140 41.040 49.770 217 HB ILE 31 HB ILE 31 52.940 38.800 51.630 218 HG12 ILE 31 2HG1 ILE 31 53.040 40.790 52.860 219 HG13 ILE 31 1HG1 ILE 31 54.680 40.280 52.620 220 HG21 ILE 31 1HG2 ILE 31 54.150 39.720 49.090 221 HG22 ILE 31 2HG2 ILE 31 55.140 38.860 50.380 222 HG23 ILE 31 3HG2 ILE 31 53.730 38.120 49.680 223 HD11 ILE 31 HD1 ILE 31 54.930 42.160 50.910 224 HD12 ILE 31 HD2 ILE 31 53.190 42.570 51.200 225 HD13 ILE 31 HD3 ILE 31 54.250 42.700 52.520 226 H ILE 32 H ILE 32 50.350 38.040 50.580 227 HA ILE 32 HA ILE 32 50.770 36.970 48.020 228 HB ILE 32 HB ILE 32 48.720 36.320 50.240 229 HG12 ILE 32 2HG1 ILE 32 51.090 35.890 50.640 230 HG13 ILE 32 1HG1 ILE 32 50.300 34.470 50.710 231 HG21 ILE 32 1HG2 ILE 32 49.000 34.820 47.660 232 HG22 ILE 32 2HG2 ILE 32 48.150 34.380 49.170 233 HG23 ILE 32 3HG2 ILE 32 47.750 35.900 48.250 234 HD11 ILE 32 HD1 ILE 32 52.230 33.910 49.590 235 HD12 ILE 32 HD2 ILE 32 50.920 33.630 48.540 236 HD13 ILE 32 HD3 ILE 32 51.970 35.100 48.210 237 H GLY 33 H GLY 33 48.290 39.100 49.450 238 HA2 GLY 33 HA2 GLY 33 46.460 39.210 47.570 239 HA3 GLY 33 HA1 GLY 33 46.900 40.670 48.600 240 H LEU 34 H LEU 34 49.270 41.400 47.950 241 HA LEU 34 HA LEU 34 49.100 42.840 45.470 242 HB2 LEU 34 HB2 LEU 34 51.580 41.780 46.790 243 HB3 LEU 34 HB1 LEU 34 51.490 42.940 45.440 244 HG LEU 34 HG LEU 34 50.490 43.470 48.330 245 HD11 LEU 34 1HD1 LEU 34 52.870 43.190 48.450 246 HD12 LEU 34 2HD1 LEU 34 53.180 44.200 46.990 247 HD13 LEU 34 3HD1 LEU 34 52.580 44.940 48.440 248 HD21 LEU 34 1HD2 LEU 34 51.030 45.330 45.870 249 HD22 LEU 34 2HD2 LEU 34 49.420 45.030 46.500 250 HD23 LEU 34 3HD2 LEU 34 50.530 45.920 47.470 251 H MET 35 H MET 35 50.610 39.690 46.020 252 HA MET 35 HA MET 35 51.520 39.250 43.380 253 HB2 MET 35 HB2 MET 35 52.460 37.930 45.230 254 HB3 MET 35 HB1 MET 35 50.950 37.340 45.770 255 HG2 MET 35 HG2 MET 35 51.110 35.740 43.870 256 HG3 MET 35 HG1 MET 35 52.250 36.820 43.030 257 HE1 MET 35 HE1 MET 35 54.760 36.430 43.180 258 HE2 MET 35 HE2 MET 35 54.950 36.920 44.840 259 HE3 MET 35 HE3 MET 35 55.590 35.350 44.230 260 H VAL 36 H VAL 36 48.640 37.740 44.840 261 HA VAL 36 HA VAL 36 47.870 36.570 42.240 262 HB VAL 36 HB VAL 36 46.070 35.560 43.230 263 HG11 VAL 36 1HG1 VAL 36 47.040 34.240 44.920 264 HG12 VAL 36 2HG1 VAL 36 48.280 34.530 43.660 265 HG13 VAL 36 3HG1 VAL 36 48.260 35.220 45.370 266 HG21 VAL 36 1HG2 VAL 36 45.330 35.830 45.580 267 HG22 VAL 36 2HG2 VAL 36 46.470 37.170 45.730 268 HG23 VAL 36 3HG2 VAL 36 44.940 37.070 44.580 269 H GLY 37 H GLY 37 46.700 39.470 44.140 270 HA2 GLY 37 HA2 GLY 37 44.850 40.370 42.290 271 HA3 GLY 37 HA1 GLY 37 45.900 41.380 43.230 272 H GLY 38 H GLY 38 48.450 40.240 41.900 273 HA2 GLY 38 HA2 GLY 38 48.470 42.000 39.740 274 HA3 GLY 38 HA1 GLY 38 49.800 41.010 40.260 275 H VAL 39 H VAL 39 48.350 38.460 40.280 276 HA VAL 39 HA VAL 39 48.710 37.540 37.540 277 HB VAL 39 HB VAL 39 47.190 36.110 39.710 278 HG11 VAL 39 1HG1 VAL 39 46.710 35.210 37.470 279 HG12 VAL 39 2HG1 VAL 39 48.470 35.440 36.980 280 HG13 VAL 39 3HG1 VAL 39 47.960 34.200 38.170 281 HG21 VAL 39 1HG2 VAL 39 49.240 34.770 39.970 282 HG22 VAL 39 2HG2 VAL 39 49.980 35.850 38.780 283 HG23 VAL 39 3HG2 VAL 39 49.620 36.480 40.420 284 H VAL 40 H VAL 40 45.810 38.520 39.330 285 HA VAL 40 HA VAL 40 43.850 38.080 37.310 286 HB VAL 40 HB VAL 40 43.680 40.150 39.520 287 HG11 VAL 40 1HG1 VAL 40 41.550 39.010 37.750 288 HG12 VAL 40 2HG1 VAL 40 41.220 40.140 39.100 289 HG13 VAL 40 3HG1 VAL 40 42.010 40.730 37.600 290 HG21 VAL 40 1HG2 VAL 40 42.350 38.510 40.680 291 HG22 VAL 40 2HG2 VAL 40 42.270 37.450 39.240 292 HG23 VAL 40 3HG2 VAL 40 43.760 37.640 40.230 293 H ILE 41 H ILE 41 45.650 41.120 38.170 294 HA ILE 41 HA ILE 41 44.670 42.810 36.010 295 HB ILE 41 HB ILE 41 47.080 42.860 37.630 296 HG12 ILE 41 2HG1 ILE 41 44.610 44.780 37.650 297 HG13 ILE 41 1HG1 ILE 41 44.800 43.420 38.670 298 HG21 ILE 41 1HG2 ILE 41 47.890 43.940 35.790 299 HG22 ILE 41 2HG2 ILE 41 46.280 44.820 35.510 300 HG23 ILE 41 3HG2 ILE 41 47.420 45.210 36.800 301 HD11 ILE 41 HD1 ILE 41 46.910 45.620 38.790 302 HD12 ILE 41 HD2 ILE 41 45.620 45.320 39.980 303 HD13 ILE 41 HD3 ILE 41 47.050 44.210 39.570 304 H ALA 42 H ALA 42 47.710 40.890 35.920 305 HA ALA 42 HA ALA 42 48.180 41.470 33.240 306 HB1 ALA 42 HB1 ALA 42 49.770 40.700 34.930 307 HB2 ALA 42 HB2 ALA 42 48.940 39.120 35.110 308 HB3 ALA 42 HB3 ALA 42 49.800 39.470 33.560 309 H THR 43 H THR 43 46.290 38.740 34.680 310 HA THR 43 HA THR 43 46.020 37.330 32.110 311 HB THR 43 HB THR 43 44.380 37.230 34.590 312 HG1 THR 43 HG1 THR 43 46.310 36.630 35.140 313 HG21 THR 43 1HG2 THR 43 43.250 36.190 32.590 314 HG22 THR 43 2HG2 THR 43 44.660 35.210 32.300 315 HG23 THR 43 3HG2 THR 43 43.720 34.930 33.720 316 H VAL 44 H VAL 44 43.780 39.690 33.850 317 HA VAL 44 HA VAL 44 41.840 39.640 31.780 318 HB VAL 44 HB VAL 44 42.330 41.550 33.950 319 HG11 VAL 44 1HG1 VAL 44 39.810 41.380 32.110 320 HG12 VAL 44 2HG1 VAL 44 40.100 42.260 33.580 321 HG13 VAL 44 3HG1 VAL 44 41.000 42.710 32.180 322 HG21 VAL 44 1HG2 VAL 44 40.070 40.340 34.640 323 HG22 VAL 44 2HG2 VAL 44 40.540 39.190 33.340 324 HG23 VAL 44 3HG2 VAL 44 41.530 39.240 34.660 325 H ILE 45 H ILE 45 44.760 41.700 32.170 326 HA ILE 45 HA ILE 45 44.030 43.430 29.950 327 HB ILE 45 HB ILE 45 46.640 43.070 31.420 328 HG12 ILE 45 2HG1 ILE 45 44.960 45.570 31.090 329 HG13 ILE 45 1HG1 ILE 45 44.410 44.280 32.150 330 HG21 ILE 45 1HG2 ILE 45 47.330 43.380 29.150 331 HG22 ILE 45 2HG2 ILE 45 46.240 44.690 28.840 332 HG23 ILE 45 3HG2 ILE 45 47.510 44.800 30.140 333 HD11 ILE 45 HD1 ILE 45 47.120 45.880 32.240 334 HD12 ILE 45 HD2 ILE 45 45.830 45.670 33.490 335 HD13 ILE 45 HD3 ILE 45 46.890 44.330 33.010 336 H VAL 46 H VAL 46 46.100 40.360 29.910 337 HA VAL 46 HA VAL 46 46.780 40.700 27.160 338 HB VAL 46 HB VAL 46 48.150 39.630 28.860 339 HG11 VAL 46 1HG1 VAL 46 46.690 38.000 29.910 340 HG12 VAL 46 2HG1 VAL 46 46.540 37.070 28.400 341 HG13 VAL 46 3HG1 VAL 46 48.140 37.160 29.150 342 HG21 VAL 46 1HG2 VAL 46 48.890 39.350 26.750 343 HG22 VAL 46 2HG2 VAL 46 48.550 37.560 27.110 344 HG23 VAL 46 3HG2 VAL 46 47.580 38.580 26.020 345 H ILE 47 H ILE 47 44.250 38.660 28.820 346 HA ILE 47 HA ILE 47 43.070 37.610 26.620 347 HB ILE 47 HB ILE 47 41.990 38.610 29.330 348 HG12 ILE 47 2HG1 ILE 47 42.450 35.830 28.100 349 HG13 ILE 47 1HG1 ILE 47 43.590 36.650 29.260 350 HG21 ILE 47 1HG2 ILE 47 40.230 37.110 27.320 351 HG22 ILE 47 2HG2 ILE 47 40.000 37.580 29.040 352 HG23 ILE 47 3HG2 ILE 47 40.270 38.810 27.800 353 HD11 ILE 47 HD1 ILE 47 41.950 36.520 31.020 354 HD12 ILE 47 HD2 ILE 47 40.860 35.540 29.890 355 HD13 ILE 47 HD3 ILE 47 42.470 34.970 30.440 356 H THR 48 H THR 48 42.480 40.890 27.920 357 HA THR 48 HA THR 48 40.210 41.390 26.180 358 HB THR 48 HB THR 48 41.890 43.460 27.500 359 HG1 THR 48 HG1 THR 48 41.170 42.180 29.070 360 HG21 THR 48 1HG2 THR 48 40.250 44.550 26.020 361 HG22 THR 48 2HG2 THR 48 38.890 43.640 26.820 362 HG23 THR 48 3HG2 THR 48 39.780 44.800 27.750 363 H LEU 49 H LEU 49 43.760 42.270 25.970 364 HA LEU 49 HA LEU 49 43.580 43.660 23.370 365 HB2 LEU 49 HB2 LEU 49 45.820 42.150 24.770 366 HB3 LEU 49 HB1 LEU 49 46.000 43.320 23.360 367 HG LEU 49 HG LEU 49 44.930 44.140 26.000 368 HD11 LEU 49 1HD1 LEU 49 47.010 43.140 26.520 369 HD12 LEU 49 2HD1 LEU 49 47.770 43.640 25.080 370 HD13 LEU 49 3HD1 LEU 49 47.580 44.860 26.320 371 HD21 LEU 49 1HD2 LEU 49 45.840 46.330 25.100 372 HD22 LEU 49 2HD2 LEU 49 46.200 45.540 23.530 373 HD23 LEU 49 3HD2 LEU 49 44.620 45.670 24.030 374 H VAL 50 H VAL 50 44.190 40.050 24.020 375 HA VAL 50 HA VAL 50 44.280 39.750 21.200 376 HB VAL 50 HB VAL 50 43.820 37.700 23.350 377 HG11 VAL 50 1HG1 VAL 50 44.210 35.990 21.850 378 HG12 VAL 50 2HG1 VAL 50 42.930 36.880 21.160 379 HG13 VAL 50 3HG1 VAL 50 44.680 37.130 20.560 380 HG21 VAL 50 1HG2 VAL 50 46.000 39.040 23.340 381 HG22 VAL 50 2HG2 VAL 50 46.020 37.270 23.100 382 HG23 VAL 50 3HG2 VAL 50 46.310 38.310 21.730 383 H MET 51 H MET 51 41.500 40.200 23.220 384 HA MET 51 HA MET 51 39.710 39.450 21.050 385 HB2 MET 51 HB2 MET 51 38.770 39.630 23.310 386 HB3 MET 51 HB1 MET 51 39.180 41.340 23.450 387 HG2 MET 51 HG2 MET 51 37.610 41.980 21.710 388 HG3 MET 51 HG1 MET 51 37.280 40.280 21.370 389 HE1 MET 51 HE1 MET 51 37.000 43.440 23.300 390 HE2 MET 51 HE2 MET 51 36.090 43.290 24.770 391 HE3 MET 51 HE3 MET 51 37.720 42.660 24.730 392 H LEU 52 H LEU 52 41.100 42.580 22.170 393 HA LEU 52 HA LEU 52 40.070 43.810 19.930 394 HB2 LEU 52 HB2 LEU 52 42.310 44.970 21.640 395 HB3 LEU 52 HB1 LEU 52 41.300 45.910 20.560 396 HG LEU 52 HG LEU 52 39.950 44.370 22.930 397 HD11 LEU 52 1HD1 LEU 52 39.860 46.600 24.110 398 HD12 LEU 52 2HD1 LEU 52 41.310 45.820 24.130 399 HD13 LEU 52 3HD1 LEU 52 41.170 47.180 23.090 400 HD21 LEU 52 1HD2 LEU 52 38.290 46.450 22.390 401 HD22 LEU 52 2HD2 LEU 52 39.200 46.660 21.040 402 HD23 LEU 52 3HD2 LEU 52 38.350 45.000 21.360 403 H LYS 53 H LYS 53 42.760 41.840 20.030 404 HA LYS 53 HA LYS 53 44.370 42.620 17.820 405 HB2 LYS 53 HB2 LYS 53 44.900 41.060 19.290 406 HB3 LYS 53 HB1 LYS 53 43.780 39.920 18.790 407 HG2 LYS 53 HG2 LYS 53 44.890 39.860 16.480 408 HG3 LYS 53 HG1 LYS 53 46.120 40.800 17.070 409 HD2 LYS 53 HD2 LYS 53 46.280 39.020 19.020 410 HD3 LYS 53 HD1 LYS 53 45.280 37.920 18.040 411 HE2 LYS 53 HE2 LYS 53 46.860 38.320 16.140 412 HE3 LYS 53 HE1 LYS 53 47.970 39.280 17.190 413 HZ1 LYS 53 HZ1 LYS 53 48.930 37.330 17.300 414 HZ2 LYS 53 HZ2 LYS 53 47.980 37.260 18.550 415 HZ3 LYS 53 HZ3 LYS 53 47.590 36.400 17.180 416 H LYS 54 H LYS 54 41.000 41.810 17.550 417 HA LYS 54 HA LYS 54 41.100 40.650 14.920 418 HB2 LYS 54 HB2 LYS 54 38.870 41.480 16.750 419 HB3 LYS 54 HB1 LYS 54 38.510 41.090 15.060 420 HG2 LYS 54 HG2 LYS 54 39.750 38.690 15.560 421 HG3 LYS 54 HG1 LYS 54 39.730 39.270 17.190 422 HD2 LYS 54 HD2 LYS 54 37.370 39.330 17.340 423 HD3 LYS 54 HD1 LYS 54 37.240 39.100 15.570 424 HE2 LYS 54 HE2 LYS 54 36.690 37.060 16.410 425 HE3 LYS 54 HE1 LYS 54 38.240 36.720 15.990 426 HZ1 LYS 54 HZ1 LYS 54 38.820 37.210 18.370 427 HZ2 LYS 54 HZ2 LYS 54 37.250 37.380 18.680 428 HZ3 LYS 54 HZ3 LYS 54 37.810 35.940 18.170 429 H LYS 55 H LYS 55 40.520 43.980 16.410 430 HA LYS 55 HA LYS 55 39.430 45.250 14.310 431 HB2 LYS 55 HB2 LYS 55 41.310 46.410 16.420 432 HB3 LYS 55 HB1 LYS 55 40.110 47.280 15.550 433 HG2 LYS 55 HG2 LYS 55 38.390 45.640 16.340 434 HG3 LYS 55 HG1 LYS 55 39.540 45.200 17.640 435 HD2 LYS 55 HD2 LYS 55 39.620 47.140 18.630 436 HD3 LYS 55 HD1 LYS 55 38.850 47.980 17.270 437 HE2 LYS 55 HE2 LYS 55 36.660 46.730 17.800 438 HE3 LYS 55 HE1 LYS 55 37.540 45.870 19.060 439 HZ1 LYS 55 HZ1 LYS 55 36.340 47.980 19.800 440 HZ2 LYS 55 HZ2 LYS 55 37.920 48.010 20.170 441 HZ3 LYS 55 HZ3 LYS 55 37.320 48.890 18.970 442 H1 DAR 101 H1 DAR 101 38.230 38.530 61.360 443 H2 DAR 101 H2 DAR 101 39.000 39.030 59.970 444 H3 DAR 101 H3 DAR 101 39.620 37.830 60.940 445 HA DAR 101 HA DAR 101 39.360 40.690 61.440 446 HB2 DAR 101 HB2 DAR 101 41.740 38.950 61.100 447 HB3 DAR 101 HB1 DAR 101 41.290 40.300 60.120 448 HG2 DAR 101 HG2 DAR 101 41.840 41.540 62.730 449 HG3 DAR 101 HG1 DAR 101 42.780 40.070 62.580 450 HD2 DAR 101 HD2 DAR 101 44.040 42.060 62.030 451 HD3 DAR 101 HD1 DAR 101 44.180 40.710 61.050 452 HE DAR 101 HE DAR 101 42.930 43.120 60.040 453 HH11 DAR 101 1HH2 DAR 101 44.150 39.870 59.540 454 HH12 DAR 101 2HH2 DAR 101 44.280 40.060 57.820 455 HH21 DAR 101 1HH1 DAR 101 43.240 43.410 57.780 456 HH22 DAR 101 2HH1 DAR 101 43.600 41.890 56.910 457 HA DPR 102 HA DPR 102 38.320 39.430 65.540 458 HB2 DPR 102 HB2 DPR 102 39.710 42.060 66.290 459 HB3 DPR 102 HB1 DPR 102 38.040 41.620 66.900 460 HG2 DPR 102 HG2 DPR 102 38.300 43.350 64.970 461 HG3 DPR 102 HG1 DPR 102 37.140 42.050 64.750 462 HD2 DPR 102 HD2 DPR 102 40.050 42.290 63.690 463 HD3 DPR 102 HD1 DPR 102 38.560 41.770 62.790 464 H DAR 103 H DAR 103 41.710 40.380 65.360 465 HA DAR 103 HA DAR 103 43.530 40.070 66.630 466 HB2 DAR 103 HB2 DAR 103 42.390 37.300 67.050 467 HB3 DAR 103 HB1 DAR 103 43.000 38.030 65.510 468 HG2 DAR 103 HG2 DAR 103 45.140 38.480 66.630 469 HG3 DAR 103 HG1 DAR 103 44.600 37.390 67.990 470 HD2 DAR 103 HD2 DAR 103 44.780 35.630 66.830 471 HD3 DAR 103 HD1 DAR 103 44.740 36.470 65.190 472 HE DAR 103 HE DAR 103 46.970 37.420 66.640 473 HH11 DAR 103 1HH2 DAR 103 49.020 36.990 65.840 474 HH12 DAR 103 2HH2 DAR 103 49.230 35.670 64.760 475 HH21 DAR 103 1HH1 DAR 103 46.120 34.370 64.950 476 HH22 DAR 103 2HH1 DAR 103 47.760 34.130 64.480 477 H 2TL 104 H 2TL 104 41.870 41.380 68.250 478 HA 2TL 104 HA 2TL 104 41.550 40.080 70.950 479 HB 2TL 104 HB 2TL 104 39.650 41.350 71.240 480 HG1 2TL 104 HG1 2TL 104 39.760 39.580 69.510 481 HG21 2TL 104 1HG2 2TL 104 39.900 42.910 68.600 482 HG22 2TL 104 2HG2 2TL 104 38.620 42.890 69.830 483 HG23 2TL 104 3HG2 2TL 104 40.170 43.510 70.190 484 H DAR 105 H DAR 105 43.940 42.020 69.900 485 HA DAR 105 HA DAR 105 43.980 43.560 72.350 486 HB2 DAR 105 HB2 DAR 105 45.720 43.600 69.960 487 HB3 DAR 105 HB1 DAR 105 44.360 44.680 70.540 488 HG2 DAR 105 HG2 DAR 105 45.740 45.590 72.130 489 HG3 DAR 105 HG1 DAR 105 47.160 44.630 71.690 490 HD2 DAR 105 HD2 DAR 105 47.260 45.560 69.480 491 HD3 DAR 105 HD1 DAR 105 45.960 46.560 69.640 492 HE DAR 105 HE DAR 105 47.480 47.020 72.000 493 HH11 DAR 105 1HH2 DAR 105 49.290 48.270 72.410 494 HH12 DAR 105 2HH2 DAR 105 50.420 48.550 71.110 495 HH21 DAR 105 1HH1 DAR 105 48.290 47.360 68.650 496 HH22 DAR 105 2HH1 DAR 105 49.840 47.840 68.970 497 H DLE 106 H DLE 106 46.130 41.270 70.610 498 HA DLE 106 HA DLE 106 47.770 39.790 71.260 499 HB2 DLE 106 HB2 DLE 106 47.240 38.530 73.300 500 HB3 DLE 106 HB1 DLE 106 45.970 39.560 73.730 501 HG DLE 106 HG DLE 106 44.770 38.850 71.630 502 HD11 DLE 106 1HD1 DLE 106 47.210 36.940 71.470 503 HD12 DLE 106 2HD1 DLE 106 45.640 36.580 70.650 504 HD13 DLE 106 3HD1 DLE 106 46.580 38.000 70.180 505 HD21 DLE 106 1HD2 DLE 106 45.640 36.720 73.620 506 HD22 DLE 106 2HD2 DLE 106 44.360 37.950 73.840 507 HD23 DLE 106 3HD2 DLE 106 44.220 36.630 72.640 508 H DHI 107 H DHI 107 48.490 42.540 71.990 509 HA DHI 107 HA DHI 107 50.270 42.530 74.240 510 HB2 DHI 107 HB2 DHI 107 49.500 44.440 73.110 511 HB3 DHI 107 HB1 DHI 107 51.270 44.640 72.840 512 HD2 DHI 107 HD2 DHI 107 51.620 45.730 70.560 513 HE1 DHI 107 HE1 DHI 107 49.110 43.340 68.150 514 HE2 DHI 107 HE2 DHI 107 50.980 45.040 68.170 515 H 2TL 108 H 2TL 108 50.520 41.020 71.120 516 HA 2TL 108 HA 2TL 108 53.190 40.010 72.070 517 HB 2TL 108 HB 2TL 108 52.230 39.860 69.170 518 HG1 2TL 108 HG1 2TL 108 54.640 39.000 70.250 519 HG21 2TL 108 1HG2 2TL 108 54.320 41.250 68.780 520 HG22 2TL 108 2HG2 2TL 108 53.130 42.080 69.870 521 HG23 2TL 108 3HG2 2TL 108 54.540 41.320 70.480 522 H DHI 109 H DHI 109 53.130 37.830 72.830 523 HA DHI 109 HA DHI 109 51.120 36.050 71.560 524 HB2 DHI 109 HB2 DHI 109 51.300 36.090 73.990 525 HB3 DHI 109 HB1 DHI 109 51.570 34.480 73.460 526 HD2 DHI 109 HD2 DHI 109 54.170 33.420 73.880 527 HE1 DHI 109 HE1 DHI 109 55.460 36.990 75.880 528 HE2 DHI 109 HE2 DHI 109 56.060 34.560 75.410 529 H DAR 110 H DAR 110 54.050 37.110 70.390 530 HA DAR 110 HA DAR 110 55.130 34.450 69.660 531 HB2 DAR 110 HB2 DAR 110 57.350 35.750 69.390 532 HB3 DAR 110 HB1 DAR 110 56.590 37.090 69.970 533 HG2 DAR 110 HG2 DAR 110 57.870 35.970 71.830 534 HG3 DAR 110 HG1 DAR 110 56.060 35.900 72.160 535 HD2 DAR 110 HD2 DAR 110 56.150 33.760 71.340 536 HD3 DAR 110 HD1 DAR 110 57.910 33.730 71.250 537 HE DAR 110 HE DAR 110 57.630 34.320 73.910 538 HH11 DAR 110 1HH2 DAR 110 57.850 32.690 75.210 539 HH12 DAR 110 2HH2 DAR 110 57.020 31.170 75.070 540 HH21 DAR 110 1HH1 DAR 110 56.120 31.800 71.900 541 HH22 DAR 110 2HH1 DAR 110 56.160 30.620 73.190 542 H DSG 111 H DSG 111 53.510 37.260 68.410 543 HA DSG 111 HA DSG 111 54.880 37.420 66.000 544 HB2 DSG 111 HB2 DSG 111 52.080 38.300 66.750 545 HB3 DSG 111 HB1 DSG 111 53.650 39.200 66.400 546 HD21 DSG 111 1HD2 DSG 111 50.920 38.550 65.040 547 HD22 DSG 111 2HD2 DSG 111 51.310 38.680 63.370 548 H DAR 112 H DAR 112 54.010 36.660 63.750 549 HA DAR 112 HA DAR 112 52.310 34.400 63.650 550 HB2 DAR 112 HB2 DAR 112 55.080 34.470 62.330 551 HB3 DAR 112 HB1 DAR 112 54.550 33.430 63.610 552 HG2 DAR 112 HG2 DAR 112 52.990 32.160 62.080 553 HG3 DAR 112 HG1 DAR 112 53.340 33.470 60.890 554 HD2 DAR 112 HD2 DAR 112 55.680 32.820 60.850 555 HD3 DAR 112 HD1 DAR 112 55.290 31.410 61.910 556 HE DAR 112 HE DAR 112 53.630 30.950 59.880 557 HH11 DAR 112 1HH2 DAR 112 56.950 32.090 59.800 558 HH12 DAR 112 2HH2 DAR 112 57.300 31.100 58.370 559 HH21 DAR 112 1HH1 DAR 112 54.390 29.630 58.280 560 HH22 DAR 112 2HH1 DAR 112 55.830 30.070 57.360 Start of MODEL 2 1 H1 ASP 1 H1 ASP 1 61.792 44.498 60.957 2 H2 ASP 1 H2 ASP 1 62.452 43.695 62.145 3 H3 ASP 1 H3 ASP 1 63.344 44.696 61.156 4 HA ASP 1 HA ASP 1 62.029 42.233 60.255 5 HB2 ASP 1 HB2 ASP 1 63.442 42.494 58.291 6 HB3 ASP 1 HB1 ASP 1 62.223 43.784 58.445 7 H ALA 2 H ALA 2 64.789 43.493 62.016 8 HA ALA 2 HA ALA 2 66.474 41.256 61.487 9 HB1 ALA 2 HB1 ALA 2 67.392 43.262 62.596 10 HB2 ALA 2 HB2 ALA 2 66.203 43.087 63.921 11 HB3 ALA 2 HB3 ALA 2 67.574 41.902 63.753 12 H GLU 3 H GLU 3 63.740 41.448 63.483 13 HA GLU 3 HA GLU 3 64.210 39.030 64.856 14 HB2 GLU 3 HB2 GLU 3 62.379 39.365 66.065 15 HB3 GLU 3 HB1 GLU 3 62.894 40.973 65.639 16 HG2 GLU 3 HG2 GLU 3 60.675 39.528 64.128 17 HG3 GLU 3 HG1 GLU 3 60.416 40.803 65.277 18 H PHE 4 H PHE 4 63.200 39.386 61.566 19 HA PHE 4 HA PHE 4 61.731 36.887 61.213 20 HB2 PHE 4 HB2 PHE 4 61.927 38.952 59.636 21 HB3 PHE 4 HB1 PHE 4 63.567 38.314 59.367 22 HD1 PHE 4 HD1 PHE 4 60.049 37.661 58.988 23 HD2 PHE 4 HD2 PHE 4 64.020 36.530 57.874 24 HE1 PHE 4 HE1 PHE 4 59.138 35.875 57.370 25 HE2 PHE 4 HE2 PHE 4 63.190 34.901 56.332 26 HZ PHE 4 HZ PHE 4 60.666 34.719 55.887 27 H ARG 5 H ARG 5 62.518 35.043 60.471 28 HA ARG 5 HA ARG 5 64.373 33.720 62.101 29 HB2 ARG 5 HB2 ARG 5 62.892 33.097 59.566 30 HB3 ARG 5 HB1 ARG 5 64.143 31.958 60.003 31 HG2 ARG 5 HG2 ARG 5 63.046 31.740 62.308 32 HG3 ARG 5 HG1 ARG 5 61.926 32.951 61.875 33 HD2 ARG 5 HD2 ARG 5 60.933 30.653 61.717 34 HD3 ARG 5 HD1 ARG 5 60.906 31.362 60.129 35 HE ARG 5 HE ARG 5 63.380 29.909 60.689 36 HH11 ARG 5 1HH1 ARG 5 60.151 29.544 59.371 37 HH12 ARG 5 2HH1 ARG 5 60.605 28.154 58.497 38 HH21 ARG 5 1HH2 ARG 5 63.920 28.230 59.630 39 HH22 ARG 5 2HH2 ARG 5 62.664 27.340 58.685 40 H HIS 6 H HIS 6 66.424 33.406 62.346 41 HA HIS 6 HA HIS 6 68.246 34.462 60.505 42 HB2 HIS 6 HB2 HIS 6 69.920 33.986 62.158 43 HB3 HIS 6 HB1 HIS 6 68.489 34.326 63.166 44 HD2 HIS 6 HD2 HIS 6 71.098 31.826 62.708 45 HE1 HIS 6 HE1 HIS 6 68.144 30.071 65.270 46 HE2 HIS 6 HE2 HIS 6 70.345 29.752 64.231 47 H ASP 7 H ASP 7 66.651 31.560 60.534 48 HA ASP 7 HA ASP 7 68.631 29.957 59.009 49 HB2 ASP 7 HB2 ASP 7 67.751 28.066 59.757 50 HB3 ASP 7 HB1 ASP 7 67.968 28.916 61.153 51 H SER 8 H SER 8 66.514 32.225 58.145 52 HA SER 8 HA SER 8 65.610 30.610 55.886 53 HB2 SER 8 HB2 SER 8 63.599 30.453 57.523 54 HB3 SER 8 HB1 SER 8 63.462 32.150 57.360 55 HG SER 8 HG SER 8 63.176 30.024 55.636 56 H GLY 9 H GLY 9 65.997 33.912 57.271 57 HA2 GLY 9 HA2 GLY 9 65.159 35.357 54.922 58 HA3 GLY 9 HA1 GLY 9 65.975 36.067 56.274 59 H TYR 10 H TYR 10 66.891 33.812 53.721 60 HA TYR 10 HA TYR 10 69.529 34.666 53.695 61 HB2 TYR 10 HB2 TYR 10 67.876 32.866 51.922 62 HB3 TYR 10 HB1 TYR 10 69.734 32.889 51.897 63 HD1 TYR 10 HD1 TYR 10 67.180 30.778 52.863 64 HD2 TYR 10 HD2 TYR 10 70.782 32.565 54.247 65 HE1 TYR 10 HE1 TYR 10 67.437 28.925 54.618 66 HE2 TYR 10 HE2 TYR 10 71.123 30.752 55.936 67 HH TYR 10 HH TYR 10 68.382 28.596 56.588 68 H GLU 11 H GLU 11 67.513 36.649 52.631 69 HA GLU 11 HA GLU 11 69.100 37.893 50.548 70 HB2 GLU 11 HB2 GLU 11 68.146 36.121 49.285 71 HB3 GLU 11 HB1 GLU 11 66.503 36.536 49.790 72 HG2 GLU 11 HG2 GLU 11 67.016 37.371 47.491 73 HG3 GLU 11 HG1 GLU 11 66.582 38.665 48.746 74 H VAL 12 H VAL 12 68.709 40.175 50.895 75 HA VAL 12 HA VAL 12 67.120 41.058 52.936 76 HB VAL 12 HB VAL 12 69.025 42.321 51.543 77 HG11 VAL 12 1HG1 VAL 12 66.595 43.212 49.821 78 HG12 VAL 12 2HG1 VAL 12 68.384 43.404 49.683 79 HG13 VAL 12 3HG1 VAL 12 67.589 41.906 49.380 80 HG21 VAL 12 1HG2 VAL 12 66.466 43.870 52.181 81 HG22 VAL 12 2HG2 VAL 12 67.757 43.736 53.245 82 HG23 VAL 12 3HG2 VAL 12 68.152 44.543 51.770 83 H HIS 13 H HIS 13 65.887 40.170 49.830 84 HA HIS 13 HA HIS 13 63.489 41.629 49.973 85 HB2 HIS 13 HB2 HIS 13 62.855 40.517 48.103 86 HB3 HIS 13 HB1 HIS 13 64.552 40.071 48.220 87 HD2 HIS 13 HD2 HIS 13 60.942 38.793 48.184 88 HE1 HIS 13 HE1 HIS 13 63.313 35.344 49.145 89 HE2 HIS 13 HE2 HIS 13 60.937 36.264 48.703 90 H HIS 14 H HIS 14 64.168 38.684 51.723 91 HA HIS 14 HA HIS 14 61.578 38.027 52.557 92 HB2 HIS 14 HB2 HIS 14 64.317 37.626 53.806 93 HB3 HIS 14 HB1 HIS 14 62.805 37.018 54.575 94 HD2 HIS 14 HD2 HIS 14 65.262 36.236 51.791 95 HE1 HIS 14 HE1 HIS 14 62.681 32.946 51.987 96 HE2 HIS 14 HE2 HIS 14 64.749 33.832 50.974 97 H GLN 15 H GLN 15 64.177 40.239 53.978 98 HA GLN 15 HA GLN 15 62.600 40.979 56.191 99 HB2 GLN 15 HB2 GLN 15 65.184 41.933 54.769 100 HB3 GLN 15 HB1 GLN 15 64.650 42.718 56.243 101 HG2 GLN 15 HG2 GLN 15 65.792 41.369 57.478 102 HG3 GLN 15 HG1 GLN 15 64.529 40.288 57.299 103 HE21 GLN 15 1HE2 GLN 15 66.294 38.614 57.681 104 HE22 GLN 15 2HE2 GLN 15 67.348 38.292 56.329 105 H LYS 16 H LYS 16 63.064 42.281 52.926 106 HA LYS 16 HA LYS 16 61.598 44.838 53.381 107 HB2 LYS 16 HB2 LYS 16 62.698 43.475 50.861 108 HB3 LYS 16 HB1 LYS 16 61.697 44.819 50.817 109 HG2 LYS 16 HG2 LYS 16 63.141 46.231 52.136 110 HG3 LYS 16 HG1 LYS 16 64.253 45.000 52.576 111 HD2 LYS 16 HD2 LYS 16 64.809 44.589 50.182 112 HD3 LYS 16 HD1 LYS 16 63.678 45.872 49.723 113 HE2 LYS 16 HE2 LYS 16 65.742 46.471 51.802 114 HE3 LYS 16 HE1 LYS 16 66.326 46.418 50.223 115 HZ1 LYS 16 HZ1 LYS 16 65.308 48.718 51.042 116 HZ2 LYS 16 HZ2 LYS 16 64.534 48.258 49.658 117 HZ3 LYS 16 HZ3 LYS 16 63.906 48.211 51.116 118 H LEU 17 H LEU 17 60.431 41.671 52.094 119 HA LEU 17 HA LEU 17 57.806 42.589 51.929 120 HB2 LEU 17 HB2 LEU 17 59.150 39.892 52.445 121 HB3 LEU 17 HB1 LEU 17 57.477 39.966 52.040 122 HG LEU 17 HG LEU 17 59.605 40.911 50.081 123 HD11 LEU 17 1HD1 LEU 17 58.577 38.864 48.823 124 HD12 LEU 17 2HD1 LEU 17 59.316 38.414 50.505 125 HD13 LEU 17 3HD1 LEU 17 57.624 38.610 50.286 126 HD21 LEU 17 1HD2 LEU 17 57.932 40.964 48.428 127 HD22 LEU 17 2HD2 LEU 17 56.669 40.635 49.613 128 HD23 LEU 17 3HD2 LEU 17 57.598 42.190 49.775 129 H VAL 18 H VAL 18 59.733 41.628 54.684 130 HA VAL 18 HA VAL 18 57.422 41.816 56.384 131 HB VAL 18 HB VAL 18 60.331 41.698 57.280 132 HG11 VAL 18 1HG1 VAL 18 59.346 41.438 59.554 133 HG12 VAL 18 2HG1 VAL 18 59.135 43.024 59.002 134 HG13 VAL 18 3HG1 VAL 18 57.794 41.965 59.002 135 HG21 VAL 18 1HG2 VAL 18 59.422 39.400 56.473 136 HG22 VAL 18 2HG2 VAL 18 59.483 39.446 58.186 137 HG23 VAL 18 3HG2 VAL 18 57.972 39.794 57.391 138 H PHE 19 H PHE 19 59.996 43.979 55.758 139 HA PHE 19 HA PHE 19 59.131 46.018 57.574 140 HB2 PHE 19 HB2 PHE 19 61.346 45.940 56.277 141 HB3 PHE 19 HB1 PHE 19 60.485 46.595 54.963 142 HD1 PHE 19 HD1 PHE 19 58.872 48.981 55.902 143 HD2 PHE 19 HD2 PHE 19 62.593 47.384 57.356 144 HE1 PHE 19 HE1 PHE 19 59.406 51.180 56.833 145 HE2 PHE 19 HE2 PHE 19 63.237 49.671 58.116 146 HZ PHE 19 HZ PHE 19 61.687 51.516 57.919 147 H PHE 20 H PHE 20 58.337 45.848 53.945 148 HA PHE 20 HA PHE 20 56.725 47.891 54.156 149 HB2 PHE 20 HB2 PHE 20 57.313 47.221 51.959 150 HB3 PHE 20 HB1 PHE 20 56.829 45.579 52.251 151 HD1 PHE 20 HD1 PHE 20 55.543 48.992 51.621 152 HD2 PHE 20 HD2 PHE 20 54.709 44.711 51.817 153 HE1 PHE 20 HE1 PHE 20 53.272 49.399 50.769 154 HE2 PHE 20 HE2 PHE 20 52.529 45.182 50.710 155 HZ PHE 20 HZ PHE 20 51.767 47.601 50.294 156 H ALA 21 H ALA 21 55.778 44.469 54.521 157 HA ALA 21 HA ALA 21 53.088 45.045 55.095 158 HB1 ALA 21 HB1 ALA 21 54.731 42.637 55.965 159 HB2 ALA 21 HB2 ALA 21 52.949 42.605 55.785 160 HB3 ALA 21 HB3 ALA 21 53.862 42.813 54.413 161 H GLU 22 H GLU 22 55.701 45.177 57.401 162 HA GLU 22 HA GLU 22 54.244 45.448 59.901 163 HB2 GLU 22 HB2 GLU 22 56.900 46.137 59.047 164 HB3 GLU 22 HB1 GLU 22 56.133 46.821 60.503 165 HG2 GLU 22 HG2 GLU 22 55.704 44.334 61.209 166 HG3 GLU 22 HG1 GLU 22 56.787 43.897 59.929 167 H ASP 23 H ASP 23 54.946 47.663 57.197 168 HA ASP 23 HA ASP 23 53.508 49.932 58.573 169 HB2 ASP 23 HB2 ASP 23 54.910 49.977 55.932 170 HB3 ASP 23 HB1 ASP 23 53.993 51.282 56.679 171 H VAL 24 H VAL 24 52.755 47.398 56.326 172 HA VAL 24 HA VAL 24 50.144 48.534 55.617 173 HB VAL 24 HB VAL 24 51.056 45.612 55.536 174 HG11 VAL 24 1HG1 VAL 24 48.640 46.806 54.256 175 HG12 VAL 24 2HG1 VAL 24 49.089 45.163 54.212 176 HG13 VAL 24 3HG1 VAL 24 48.574 45.811 55.724 177 HG21 VAL 24 1HG2 VAL 24 50.970 47.844 53.478 178 HG22 VAL 24 2HG2 VAL 24 52.213 46.809 53.834 179 HG23 VAL 24 3HG2 VAL 24 50.797 46.037 53.118 180 H GLY 25 H GLY 25 51.555 46.738 58.293 181 HA2 GLY 25 HA2 GLY 25 50.886 46.183 60.279 182 HA3 GLY 25 HA1 GLY 25 49.446 47.155 60.043 183 H SER 26 H SER 26 47.657 46.492 58.717 184 HA SER 26 HA SER 26 46.735 44.166 60.128 185 HB2 SER 26 HB2 SER 26 45.046 45.737 58.288 186 HB3 SER 26 HB1 SER 26 44.385 44.726 59.597 187 HG SER 26 HG SER 26 45.212 46.378 61.032 188 H ASN 27 H ASN 27 48.450 43.328 58.462 189 HA ASN 27 HA ASN 27 48.066 43.312 55.643 190 HB2 ASN 27 HB2 ASN 27 50.223 42.635 55.478 191 HB3 ASN 27 HB1 ASN 27 49.918 43.798 56.676 192 HD21 ASN 27 1HD2 ASN 27 51.019 43.181 58.929 193 HD22 ASN 27 2HD2 ASN 27 51.386 41.490 59.075 194 H LYS 28 H LYS 28 46.449 41.230 57.532 195 HA LYS 28 HA LYS 28 47.671 38.743 57.143 196 HB2 LYS 28 HB2 LYS 28 44.769 39.223 57.820 197 HB3 LYS 28 HB1 LYS 28 45.857 37.817 57.912 198 HG2 LYS 28 HG2 LYS 28 46.147 40.551 59.253 199 HG3 LYS 28 HG1 LYS 28 45.507 39.186 60.195 200 HD2 LYS 28 HD2 LYS 28 48.423 39.343 59.157 201 HD3 LYS 28 HD1 LYS 28 47.843 39.430 60.834 202 HE2 LYS 28 HE2 LYS 28 47.015 37.146 60.613 203 HE3 LYS 28 HE1 LYS 28 47.609 37.023 58.988 204 HZ1 LYS 28 HZ1 LYS 28 49.165 36.173 60.284 205 HZ2 LYS 28 HZ2 LYS 28 49.875 37.630 60.002 206 HZ3 LYS 28 HZ3 LYS 28 49.063 37.347 61.479 207 H GLY 29 H GLY 29 47.820 37.267 55.446 208 HA2 GLY 29 HA2 GLY 29 47.478 36.476 53.344 209 HA3 GLY 29 HA1 GLY 29 45.864 36.778 53.441 210 H ALA 30 H ALA 30 47.589 39.889 53.784 211 HA ALA 30 HA ALA 30 46.312 40.689 51.370 212 HB1 ALA 30 HB1 ALA 30 46.404 41.690 53.573 213 HB2 ALA 30 HB2 ALA 30 48.056 42.323 53.247 214 HB3 ALA 30 HB3 ALA 30 46.753 42.790 52.201 215 H ILE 31 H ILE 31 49.842 39.946 52.066 216 HA ILE 31 HA ILE 31 50.831 41.322 49.629 217 HB ILE 31 HB ILE 31 52.063 39.881 51.995 218 HG12 ILE 31 2HG1 ILE 31 53.348 42.079 52.220 219 HG13 ILE 31 1HG1 ILE 31 52.521 42.629 50.791 220 HG21 ILE 31 1HG2 ILE 31 53.284 39.097 50.303 221 HG22 ILE 31 2HG2 ILE 31 53.492 40.482 49.383 222 HG23 ILE 31 3HG2 ILE 31 54.312 40.226 51.033 223 HD11 ILE 31 HD1 ILE 31 50.553 42.942 52.120 224 HD12 ILE 31 HD2 ILE 31 51.039 41.712 53.368 225 HD13 ILE 31 HD3 ILE 31 51.804 43.405 53.240 226 H ILE 32 H ILE 32 50.333 38.000 50.845 227 HA ILE 32 HA ILE 32 50.967 36.700 48.285 228 HB ILE 32 HB ILE 32 48.854 35.723 50.225 229 HG12 ILE 32 2HG1 ILE 32 51.285 35.947 51.151 230 HG13 ILE 32 1HG1 ILE 32 50.481 34.449 51.209 231 HG21 ILE 32 1HG2 ILE 32 50.280 34.580 47.698 232 HG22 ILE 32 2HG2 ILE 32 49.708 33.538 48.960 233 HG23 ILE 32 3HG2 ILE 32 48.575 34.597 48.085 234 HD11 ILE 32 HD1 ILE 32 52.868 34.195 50.559 235 HD12 ILE 32 HD2 ILE 32 51.924 33.819 49.042 236 HD13 ILE 32 HD3 ILE 32 52.741 35.354 49.299 237 H GLY 33 H GLY 33 48.007 38.205 49.561 238 HA2 GLY 33 HA2 GLY 33 46.341 38.089 47.360 239 HA3 GLY 33 HA1 GLY 33 46.173 39.364 48.518 240 H LEU 34 H LEU 34 48.799 40.657 48.107 241 HA LEU 34 HA LEU 34 48.208 42.222 45.793 242 HB2 LEU 34 HB2 LEU 34 49.332 43.125 47.848 243 HB3 LEU 34 HB1 LEU 34 50.777 42.136 47.441 244 HG LEU 34 HG LEU 34 51.088 43.562 45.531 245 HD11 LEU 34 1HD1 LEU 34 48.479 45.129 46.207 246 HD12 LEU 34 2HD1 LEU 34 49.678 45.524 45.135 247 HD13 LEU 34 3HD1 LEU 34 48.929 44.047 44.702 248 HD21 LEU 34 1HD2 LEU 34 51.836 44.405 47.770 249 HD22 LEU 34 2HD2 LEU 34 51.541 45.626 46.501 250 HD23 LEU 34 3HD2 LEU 34 50.416 45.390 47.812 251 H MET 35 H MET 35 50.278 39.407 45.984 252 HA MET 35 HA MET 35 51.582 39.708 43.424 253 HB2 MET 35 HB2 MET 35 52.711 38.440 45.160 254 HB3 MET 35 HB1 MET 35 51.391 37.346 45.349 255 HG2 MET 35 HG2 MET 35 52.701 37.868 42.777 256 HG3 MET 35 HG1 MET 35 53.420 36.570 43.857 257 HE1 MET 35 HE1 MET 35 50.531 33.861 43.738 258 HE2 MET 35 HE2 MET 35 52.131 34.341 44.596 259 HE3 MET 35 HE3 MET 35 50.596 35.123 44.917 260 H VAL 36 H VAL 36 48.966 37.460 44.707 261 HA VAL 36 HA VAL 36 48.162 36.726 42.080 262 HB VAL 36 HB VAL 36 46.228 36.844 44.475 263 HG11 VAL 36 1HG1 VAL 36 46.259 35.613 41.730 264 HG12 VAL 36 2HG1 VAL 36 45.126 35.098 43.022 265 HG13 VAL 36 3HG1 VAL 36 44.965 36.715 42.281 266 HG21 VAL 36 1HG2 VAL 36 46.857 34.321 44.334 267 HG22 VAL 36 2HG2 VAL 36 48.109 34.804 43.175 268 HG23 VAL 36 3HG2 VAL 36 48.251 35.299 44.824 269 H GLY 37 H GLY 37 47.181 39.690 43.948 270 HA2 GLY 37 HA2 GLY 37 45.459 40.822 42.109 271 HA3 GLY 37 HA1 GLY 37 46.505 41.632 43.214 272 H GLY 38 H GLY 38 49.033 40.800 42.124 273 HA2 GLY 38 HA2 GLY 38 49.557 42.220 39.703 274 HA3 GLY 38 HA1 GLY 38 50.615 40.911 40.387 275 H VAL 39 H VAL 39 48.992 38.785 40.125 276 HA VAL 39 HA VAL 39 49.252 38.110 37.207 277 HB VAL 39 HB VAL 39 47.741 36.307 39.131 278 HG11 VAL 39 1HG1 VAL 39 47.405 35.586 36.889 279 HG12 VAL 39 2HG1 VAL 39 49.111 35.737 36.448 280 HG13 VAL 39 3HG1 VAL 39 48.613 34.466 37.540 281 HG21 VAL 39 1HG2 VAL 39 50.764 36.389 38.573 282 HG22 VAL 39 2HG2 VAL 39 49.971 36.661 40.142 283 HG23 VAL 39 3HG2 VAL 39 49.946 35.023 39.282 284 H VAL 40 H VAL 40 46.475 39.071 39.238 285 HA VAL 40 HA VAL 40 44.734 38.261 37.099 286 HB VAL 40 HB VAL 40 43.966 40.450 39.300 287 HG11 VAL 40 1HG1 VAL 40 42.437 40.192 37.373 288 HG12 VAL 40 2HG1 VAL 40 42.261 38.514 37.765 289 HG13 VAL 40 3HG1 VAL 40 41.656 39.757 38.902 290 HG21 VAL 40 1HG2 VAL 40 43.567 37.523 39.536 291 HG22 VAL 40 2HG2 VAL 40 44.602 38.640 40.597 292 HG23 VAL 40 3HG2 VAL 40 42.823 38.691 40.493 293 H ILE 41 H ILE 41 46.436 41.398 37.836 294 HA ILE 41 HA ILE 41 45.092 42.789 35.662 295 HB ILE 41 HB ILE 41 47.751 43.384 37.174 296 HG12 ILE 41 2HG1 ILE 41 45.875 43.518 38.761 297 HG13 ILE 41 1HG1 ILE 41 46.473 45.061 38.431 298 HG21 ILE 41 1HG2 ILE 41 47.573 44.303 34.851 299 HG22 ILE 41 2HG2 ILE 41 46.076 45.092 35.389 300 HG23 ILE 41 3HG2 ILE 41 47.534 45.662 36.059 301 HD11 ILE 41 HD1 ILE 41 44.399 44.697 36.542 302 HD12 ILE 41 HD2 ILE 41 43.981 43.586 37.770 303 HD13 ILE 41 HD3 ILE 41 44.166 45.296 38.221 304 H ALA 42 H ALA 42 48.213 41.172 35.871 305 HA ALA 42 HA ALA 42 49.078 41.556 33.191 306 HB1 ALA 42 HB1 ALA 42 50.564 40.786 34.833 307 HB2 ALA 42 HB2 ALA 42 49.707 39.373 35.222 308 HB3 ALA 42 HB3 ALA 42 50.490 39.460 33.628 309 H THR 43 H THR 43 46.960 38.953 34.508 310 HA THR 43 HA THR 43 46.196 37.656 32.069 311 HB THR 43 HB THR 43 44.702 38.077 34.692 312 HG1 THR 43 HG1 THR 43 46.319 36.936 35.217 313 HG21 THR 43 1HG2 THR 43 43.875 36.173 32.610 314 HG22 THR 43 2HG2 THR 43 43.428 36.115 34.367 315 HG23 THR 43 3HG2 THR 43 42.949 37.477 33.309 316 H VAL 44 H VAL 44 44.348 40.246 33.787 317 HA VAL 44 HA VAL 44 42.359 40.749 31.998 318 HB VAL 44 HB VAL 44 43.718 42.494 34.015 319 HG11 VAL 44 1HG1 VAL 44 41.864 44.200 33.569 320 HG12 VAL 44 2HG1 VAL 44 42.970 44.228 32.214 321 HG13 VAL 44 3HG1 VAL 44 41.398 43.388 32.141 322 HG21 VAL 44 1HG2 VAL 44 41.377 42.343 34.976 323 HG22 VAL 44 2HG2 VAL 44 40.938 41.538 33.493 324 HG23 VAL 44 3HG2 VAL 44 42.001 40.717 34.589 325 H ILE 45 H ILE 45 45.613 42.363 31.785 326 HA ILE 45 HA ILE 45 45.284 43.894 29.335 327 HB ILE 45 HB ILE 45 47.530 42.423 30.587 328 HG12 ILE 45 2HG1 ILE 45 46.986 45.378 30.502 329 HG13 ILE 45 1HG1 ILE 45 46.554 44.257 31.757 330 HG21 ILE 45 1HG2 ILE 45 49.007 43.794 29.022 331 HG22 ILE 45 2HG2 ILE 45 48.187 42.593 28.221 332 HG23 ILE 45 3HG2 ILE 45 47.505 44.314 28.109 333 HD11 ILE 45 HD1 ILE 45 48.932 43.791 32.255 334 HD12 ILE 45 HD2 ILE 45 49.461 44.868 30.984 335 HD13 ILE 45 HD3 ILE 45 48.623 45.508 32.351 336 H VAL 46 H VAL 46 46.382 40.272 29.565 337 HA VAL 46 HA VAL 46 46.610 40.131 26.973 338 HB VAL 46 HB VAL 46 46.445 37.924 29.171 339 HG11 VAL 46 1HG1 VAL 46 45.600 36.723 27.544 340 HG12 VAL 46 2HG1 VAL 46 46.629 37.558 26.303 341 HG13 VAL 46 3HG1 VAL 46 47.341 36.369 27.514 342 HG21 VAL 46 1HG2 VAL 46 48.799 37.642 28.565 343 HG22 VAL 46 2HG2 VAL 46 48.731 38.858 27.450 344 HG23 VAL 46 3HG2 VAL 46 48.224 39.344 29.165 345 H ILE 47 H ILE 47 43.994 38.968 28.930 346 HA ILE 47 HA ILE 47 42.199 37.977 26.997 347 HB ILE 47 HB ILE 47 41.679 39.592 29.602 348 HG12 ILE 47 2HG1 ILE 47 41.325 36.648 29.055 349 HG13 ILE 47 1HG1 ILE 47 42.785 37.299 29.759 350 HG21 ILE 47 1HG2 ILE 47 39.607 38.445 27.690 351 HG22 ILE 47 2HG2 ILE 47 39.396 38.945 29.452 352 HG23 ILE 47 3HG2 ILE 47 39.756 40.147 28.389 353 HD11 ILE 47 HD1 ILE 47 41.508 36.716 31.725 354 HD12 ILE 47 HD2 ILE 47 41.034 38.361 31.483 355 HD13 ILE 47 HD3 ILE 47 39.972 37.048 30.940 356 H THR 48 H THR 48 42.883 41.440 27.607 357 HA THR 48 HA THR 48 40.671 42.491 26.137 358 HB THR 48 HB THR 48 43.313 43.814 27.187 359 HG1 THR 48 HG1 THR 48 42.046 43.214 28.886 360 HG21 THR 48 1HG2 THR 48 42.790 45.215 25.567 361 HG22 THR 48 2HG2 THR 48 41.062 44.925 25.776 362 HG23 THR 48 3HG2 THR 48 41.959 45.849 27.082 363 H LEU 49 H LEU 49 44.158 42.075 25.548 364 HA LEU 49 HA LEU 49 44.459 43.001 22.763 365 HB2 LEU 49 HB2 LEU 49 46.017 40.796 24.076 366 HB3 LEU 49 HB1 LEU 49 46.414 41.758 22.700 367 HG LEU 49 HG LEU 49 46.137 43.106 25.319 368 HD11 LEU 49 1HD1 LEU 49 47.887 41.533 25.796 369 HD12 LEU 49 2HD1 LEU 49 48.792 41.884 24.276 370 HD13 LEU 49 3HD1 LEU 49 48.535 43.171 25.495 371 HD21 LEU 49 1HD2 LEU 49 46.261 44.468 23.149 372 HD22 LEU 49 2HD2 LEU 49 47.442 44.925 24.352 373 HD23 LEU 49 3HD2 LEU 49 47.922 43.852 22.946 374 H VAL 50 H VAL 50 43.536 39.856 24.165 375 HA VAL 50 HA VAL 50 43.176 38.605 21.611 376 HB VAL 50 HB VAL 50 42.520 37.739 24.346 377 HG11 VAL 50 1HG1 VAL 50 41.054 36.372 22.996 378 HG12 VAL 50 2HG1 VAL 50 42.234 35.923 21.775 379 HG13 VAL 50 3HG1 VAL 50 42.446 35.397 23.437 380 HG21 VAL 50 1HG2 VAL 50 44.431 36.170 24.209 381 HG22 VAL 50 2HG2 VAL 50 44.869 36.762 22.600 382 HG23 VAL 50 3HG2 VAL 50 44.896 37.835 23.882 383 H MET 51 H MET 51 40.791 39.503 24.121 384 HA MET 51 HA MET 51 38.423 39.308 22.499 385 HB2 MET 51 HB2 MET 51 38.604 41.301 24.740 386 HB3 MET 51 HB1 MET 51 37.235 40.887 23.785 387 HG2 MET 51 HG2 MET 51 39.012 38.877 25.353 388 HG3 MET 51 HG1 MET 51 37.662 39.655 26.097 389 HE1 MET 51 HE1 MET 51 34.479 38.014 24.523 390 HE2 MET 51 HE2 MET 51 35.111 38.908 25.836 391 HE3 MET 51 HE3 MET 51 35.280 39.582 24.317 392 H LEU 52 H LEU 52 40.732 41.902 22.293 393 HA LEU 52 HA LEU 52 39.095 43.605 20.768 394 HB2 LEU 52 HB2 LEU 52 41.060 44.548 21.705 395 HB3 LEU 52 HB1 LEU 52 42.135 43.353 21.179 396 HG LEU 52 HG LEU 52 41.810 44.072 18.714 397 HD11 LEU 52 1HD1 LEU 52 39.739 45.427 18.791 398 HD12 LEU 52 2HD1 LEU 52 40.457 46.360 20.149 399 HD13 LEU 52 3HD1 LEU 52 41.108 46.462 18.462 400 HD21 LEU 52 1HD2 LEU 52 42.668 45.905 21.013 401 HD22 LEU 52 2HD2 LEU 52 43.744 44.662 20.157 402 HD23 LEU 52 3HD2 LEU 52 43.094 46.126 19.280 403 H LYS 53 H LYS 53 41.295 41.047 19.920 404 HA LYS 53 HA LYS 53 41.279 41.327 16.890 405 HB2 LYS 53 HB2 LYS 53 43.208 41.180 18.223 406 HB3 LYS 53 HB1 LYS 53 42.840 39.672 18.922 407 HG2 LYS 53 HG2 LYS 53 44.302 38.988 17.254 408 HG3 LYS 53 HG1 LYS 53 42.806 38.743 16.400 409 HD2 LYS 53 HD2 LYS 53 42.880 40.980 15.358 410 HD3 LYS 53 HD1 LYS 53 44.477 41.202 16.208 411 HE2 LYS 53 HE2 LYS 53 45.229 40.587 14.179 412 HE3 LYS 53 HE1 LYS 53 45.288 39.147 15.224 413 HZ1 LYS 53 HZ1 LYS 53 43.425 39.814 13.014 414 HZ2 LYS 53 HZ2 LYS 53 44.434 38.535 13.212 415 HZ3 LYS 53 HZ3 LYS 53 43.114 38.457 13.997 416 H LYS 54 H LYS 54 40.161 39.002 19.290 417 HA LYS 54 HA LYS 54 39.506 36.771 17.726 418 HB2 LYS 54 HB2 LYS 54 39.871 36.694 20.144 419 HB3 LYS 54 HB1 LYS 54 38.745 37.808 20.487 420 HG2 LYS 54 HG2 LYS 54 36.870 36.232 19.751 421 HG3 LYS 54 HG1 LYS 54 38.020 35.079 19.410 422 HD2 LYS 54 HD2 LYS 54 38.762 35.296 21.976 423 HD3 LYS 54 HD1 LYS 54 37.382 36.393 22.074 424 HE2 LYS 54 HE2 LYS 54 37.400 33.326 21.526 425 HE3 LYS 54 HE1 LYS 54 36.531 34.263 22.741 426 HZ1 LYS 54 HZ1 LYS 54 35.154 35.344 21.191 427 HZ2 LYS 54 HZ2 LYS 54 35.569 34.470 19.969 428 HZ3 LYS 54 HZ3 LYS 54 34.925 33.683 21.227 429 H LYS 55 H LYS 55 37.601 35.999 16.691 430 HA LYS 55 HA LYS 55 35.317 37.782 16.668 431 HB2 LYS 55 HB2 LYS 55 36.011 35.092 15.412 432 HB3 LYS 55 HB1 LYS 55 34.331 35.664 15.416 433 HG2 LYS 55 HG2 LYS 55 35.082 37.826 14.414 434 HG3 LYS 55 HG1 LYS 55 36.558 37.190 13.983 435 HD2 LYS 55 HD2 LYS 55 35.300 35.263 12.825 436 HD3 LYS 55 HD1 LYS 55 33.810 36.154 13.408 437 HE2 LYS 55 HE2 LYS 55 34.126 38.008 11.974 438 HE3 LYS 55 HE1 LYS 55 35.572 37.406 11.307 439 HZ1 LYS 55 HZ1 LYS 55 32.863 36.149 11.237 440 HZ2 LYS 55 HZ2 LYS 55 33.527 36.908 10.026 441 HZ3 LYS 55 HZ3 LYS 55 34.065 35.416 10.489 442 H1 DAR 101 H1 DAR 101 53.575 48.865 66.769 443 H2 DAR 101 H2 DAR 101 55.185 48.750 66.780 444 H3 DAR 101 H3 DAR 101 54.484 49.720 67.901 445 HA DAR 101 HA DAR 101 54.141 51.419 66.344 446 HB2 DAR 101 HB2 DAR 101 55.120 50.725 63.925 447 HB3 DAR 101 HB1 DAR 101 54.537 49.086 64.500 448 HG2 DAR 101 HG2 DAR 101 52.291 50.046 64.839 449 HG3 DAR 101 HG1 DAR 101 52.916 51.666 64.178 450 HD2 DAR 101 HD2 DAR 101 53.264 50.718 62.095 451 HD3 DAR 101 HD1 DAR 101 52.763 49.105 62.605 452 HE DAR 101 HE DAR 101 50.544 50.962 63.161 453 HH11 DAR 101 1HH2 DAR 101 51.912 49.225 60.492 454 HH12 DAR 101 2HH2 DAR 101 50.510 49.704 59.516 455 HH21 DAR 101 1HH1 DAR 101 48.892 51.492 61.889 456 HH22 DAR 101 2HH1 DAR 101 49.042 51.015 60.233 457 HA DPR 102 HA DPR 102 57.803 52.810 67.600 458 HB2 DPR 102 HB2 DPR 102 58.473 54.259 65.206 459 HB3 DPR 102 HB1 DPR 102 58.509 54.632 66.935 460 HG2 DPR 102 HG2 DPR 102 56.343 55.514 65.516 461 HG3 DPR 102 HG1 DPR 102 55.981 54.524 66.883 462 HD2 DPR 102 HD2 DPR 102 56.018 53.248 64.242 463 HD3 DPR 102 HD1 DPR 102 54.804 53.032 65.531 464 H DAR 103 H DAR 103 60.951 51.166 66.548 465 HA DAR 103 HA DAR 103 59.628 52.449 68.916 466 HB2 DAR 103 HB2 DAR 103 61.956 50.579 68.560 467 HB3 DAR 103 HB1 DAR 103 61.997 52.366 68.824 468 HG2 DAR 103 HG2 DAR 103 61.030 50.436 70.787 469 HG3 DAR 103 HG1 DAR 103 62.664 51.229 70.821 470 HD2 DAR 103 HD2 DAR 103 61.486 53.327 70.944 471 HD3 DAR 103 HD1 DAR 103 60.037 52.503 71.360 472 HE DAR 103 HE DAR 103 62.670 52.191 72.737 473 HH11 DAR 103 1HH2 DAR 103 62.823 52.426 75.001 474 HH12 DAR 103 2HH2 DAR 103 61.449 52.893 75.880 475 HH21 DAR 103 1HH1 DAR 103 59.214 52.345 73.481 476 HH22 DAR 103 2HH1 DAR 103 59.544 53.120 75.014 477 H 2TL 104 H 2TL 104 60.235 49.224 67.608 478 HA 2TL 104 HA 2TL 104 57.865 48.315 68.891 479 HB 2TL 104 HB 2TL 104 59.014 46.211 69.973 480 HG1 2TL 104 HG1 2TL 104 59.281 47.138 71.752 481 HG21 2TL 104 1HG2 2TL 104 61.318 46.248 70.552 482 HG22 2TL 104 2HG2 2TL 104 61.171 46.468 68.738 483 HG23 2TL 104 3HG2 2TL 104 61.495 47.817 69.894 484 H DAR 105 H DAR 105 58.199 48.609 66.322 485 HA DAR 105 HA DAR 105 58.517 46.057 64.818 486 HB2 DAR 105 HB2 DAR 105 57.478 47.163 63.004 487 HB3 DAR 105 HB1 DAR 105 56.885 48.493 63.954 488 HG2 DAR 105 HG2 DAR 105 59.171 49.138 64.569 489 HG3 DAR 105 HG1 DAR 105 59.715 47.888 63.393 490 HD2 DAR 105 HD2 DAR 105 58.031 50.351 62.612 491 HD3 DAR 105 HD1 DAR 105 59.818 50.109 62.533 492 HE DAR 105 HE DAR 105 58.651 47.923 61.470 493 HH11 DAR 105 1HH2 DAR 105 58.223 47.461 59.373 494 HH12 DAR 105 2HH2 DAR 105 58.012 48.634 58.128 495 HH21 DAR 105 1HH1 DAR 105 58.335 51.174 60.663 496 HH22 DAR 105 2HH1 DAR 105 57.877 50.844 58.920 497 H DLE 106 H DLE 106 56.736 45.011 63.843 498 HA DLE 106 HA DLE 106 54.930 43.645 63.711 499 HB2 DLE 106 HB2 DLE 106 53.416 46.051 64.893 500 HB3 DLE 106 HB1 DLE 106 54.181 46.060 63.267 501 HG DLE 106 HG DLE 106 51.684 44.644 64.372 502 HD11 DLE 106 1HD1 DLE 106 50.605 45.768 62.515 503 HD12 DLE 106 2HD1 DLE 106 51.778 46.886 63.340 504 HD13 DLE 106 3HD1 DLE 106 52.255 46.155 61.899 505 HD21 DLE 106 1HD2 DLE 106 51.692 43.504 61.886 506 HD22 DLE 106 2HD2 DLE 106 53.430 43.788 61.979 507 HD23 DLE 106 3HD2 DLE 106 52.588 42.797 63.145 508 H DHI 107 H DHI 107 56.039 44.303 66.705 509 HA DHI 107 HA DHI 107 53.991 43.259 68.532 510 HB2 DHI 107 HB2 DHI 107 55.932 43.163 70.027 511 HB3 DHI 107 HB1 DHI 107 57.056 43.544 68.745 512 HD2 DHI 107 HD2 DHI 107 54.096 45.998 68.317 513 HE1 DHI 107 HE1 DHI 107 56.344 47.678 71.621 514 HE2 DHI 107 HE2 DHI 107 54.522 48.023 69.790 515 H 2TL 108 H 2TL 108 56.895 41.788 66.934 516 HA 2TL 108 HA 2TL 108 56.490 39.353 68.243 517 HB 2TL 108 HB 2TL 108 58.503 40.413 67.119 518 HG1 2TL 108 HG1 2TL 108 57.933 40.702 65.096 519 HG21 2TL 108 1HG2 2TL 108 58.130 37.486 66.309 520 HG22 2TL 108 2HG2 2TL 108 59.601 38.373 66.544 521 HG23 2TL 108 3HG2 2TL 108 58.601 38.008 67.944 522 H DHI 109 H DHI 109 55.792 37.321 67.407 523 HA DHI 109 HA DHI 109 53.452 37.652 65.782 524 HB2 DHI 109 HB2 DHI 109 54.215 35.754 68.033 525 HB3 DHI 109 HB1 DHI 109 53.161 37.157 68.105 526 HD2 DHI 109 HD2 DHI 109 50.520 36.592 67.908 527 HE1 DHI 109 HE1 DHI 109 51.033 32.499 66.580 528 HE2 DHI 109 HE2 DHI 109 49.365 34.229 67.424 529 H DAR 110 H DAR 110 52.522 36.055 64.144 530 HA DAR 110 HA DAR 110 52.692 35.145 62.369 531 HB2 DAR 110 HB2 DAR 110 53.832 32.724 63.909 532 HB3 DAR 110 HB1 DAR 110 52.439 33.561 64.320 533 HG2 DAR 110 HG2 DAR 110 51.636 31.949 62.880 534 HG3 DAR 110 HG1 DAR 110 51.803 33.261 61.725 535 HD2 DAR 110 HD2 DAR 110 54.048 32.454 61.033 536 HD3 DAR 110 HD1 DAR 110 53.930 31.127 62.209 537 HE DAR 110 HE DAR 110 52.634 31.524 59.591 538 HH11 DAR 110 1HH2 DAR 110 51.960 29.791 58.534 539 HH12 DAR 110 2HH2 DAR 110 51.855 28.278 59.352 540 HH21 DAR 110 1HH1 DAR 110 53.162 29.324 62.287 541 HH22 DAR 110 2HH1 DAR 110 52.456 27.969 61.370 542 H DSG 111 H DSG 111 54.263 36.573 61.325 543 HA DSG 111 HA DSG 111 56.389 34.996 59.898 544 HB2 DSG 111 HB2 DSG 111 57.888 35.706 61.489 545 HB3 DSG 111 HB1 DSG 111 57.987 37.012 60.288 546 HD21 DSG 111 1HD2 DSG 111 57.837 36.797 63.743 547 HD22 DSG 111 2HD2 DSG 111 57.162 38.371 63.850 548 H DAR 112 H DAR 112 54.489 38.136 60.065 549 HA DAR 112 HA DAR 112 55.508 39.052 57.454 550 HB2 DAR 112 HB2 DAR 112 53.425 40.344 57.281 551 HB3 DAR 112 HB1 DAR 112 53.083 39.864 58.991 552 HG2 DAR 112 HG2 DAR 112 55.558 41.509 58.186 553 HG3 DAR 112 HG1 DAR 112 54.054 42.148 58.829 554 HD2 DAR 112 HD2 DAR 112 56.133 40.472 60.172 555 HD3 DAR 112 HD1 DAR 112 55.759 42.008 60.683 556 HE DAR 112 HE DAR 112 53.317 40.441 61.052 557 HH11 DAR 112 1HH2 DAR 112 56.422 41.205 62.745 558 HH12 DAR 112 2HH2 DAR 112 55.704 40.668 64.159 559 HH21 DAR 112 1HH1 DAR 112 52.673 39.728 62.856 560 HH22 DAR 112 2HH1 DAR 112 53.679 40.059 64.264 Start of MODEL 3 1 H1 ASP 1 H1 ASP 1 63.265 42.247 52.037 2 H2 ASP 1 H2 ASP 1 63.048 41.695 53.528 3 H3 ASP 1 H3 ASP 1 64.078 43.028 53.234 4 HA ASP 1 HA ASP 1 65.707 41.837 52.293 5 HB2 ASP 1 HB2 ASP 1 66.439 40.101 53.794 6 HB3 ASP 1 HB1 ASP 1 66.004 41.583 54.474 7 H ALA 2 H ALA 2 63.101 39.352 52.867 8 HA ALA 2 HA ALA 2 63.912 38.193 50.164 9 HB1 ALA 2 HB1 ALA 2 63.384 36.120 50.849 10 HB2 ALA 2 HB2 ALA 2 64.237 36.826 52.204 11 HB3 ALA 2 HB3 ALA 2 62.550 36.835 52.361 12 H GLU 3 H GLU 3 61.202 40.006 51.490 13 HA GLU 3 HA GLU 3 59.557 39.228 49.105 14 HB2 GLU 3 HB2 GLU 3 57.866 40.237 50.149 15 HB3 GLU 3 HB1 GLU 3 58.634 39.550 51.492 16 HG2 GLU 3 HG2 GLU 3 58.603 42.636 50.919 17 HG3 GLU 3 HG1 GLU 3 57.657 41.797 52.049 18 H PHE 4 H PHE 4 61.346 41.779 50.422 19 HA PHE 4 HA PHE 4 61.436 43.220 47.756 20 HB2 PHE 4 HB2 PHE 4 59.538 44.310 49.075 21 HB3 PHE 4 HB1 PHE 4 60.858 44.822 50.146 22 HD1 PHE 4 HD1 PHE 4 59.259 45.127 46.794 23 HD2 PHE 4 HD2 PHE 4 62.243 46.885 49.523 24 HE1 PHE 4 HE1 PHE 4 59.465 47.086 45.318 25 HE2 PHE 4 HE2 PHE 4 62.368 48.730 47.920 26 HZ PHE 4 HZ PHE 4 61.027 48.901 45.951 27 H ARG 5 H ARG 5 63.244 44.137 47.281 28 HA ARG 5 HA ARG 5 65.645 43.310 48.193 29 HB2 ARG 5 HB2 ARG 5 65.097 44.419 45.942 30 HB3 ARG 5 HB1 ARG 5 64.724 45.900 46.770 31 HG2 ARG 5 HG2 ARG 5 66.848 46.200 45.652 32 HG3 ARG 5 HG1 ARG 5 67.262 46.087 47.299 33 HD2 ARG 5 HD2 ARG 5 67.782 43.522 46.758 34 HD3 ARG 5 HD1 ARG 5 67.389 43.843 45.103 35 HE ARG 5 HE ARG 5 69.391 45.672 45.990 36 HH11 ARG 5 1HH1 ARG 5 68.794 42.357 44.791 37 HH12 ARG 5 2HH1 ARG 5 70.539 42.128 44.653 38 HH21 ARG 5 1HH2 ARG 5 71.637 45.154 45.298 39 HH22 ARG 5 2HH2 ARG 5 71.774 43.633 44.361 40 H HIS 6 H HIS 6 64.008 45.746 49.922 41 HA HIS 6 HA HIS 6 66.241 47.024 51.014 42 HB2 HIS 6 HB2 HIS 6 64.827 48.022 52.690 43 HB3 HIS 6 HB1 HIS 6 63.905 48.086 51.182 44 HD2 HIS 6 HD2 HIS 6 63.415 47.054 54.792 45 HE1 HIS 6 HE1 HIS 6 60.657 44.792 52.432 46 HE2 HIS 6 HE2 HIS 6 61.180 45.700 54.798 47 H ASP 7 H ASP 7 67.086 46.901 53.233 48 HA ASP 7 HA ASP 7 67.314 44.098 54.247 49 HB2 ASP 7 HB2 ASP 7 68.900 46.707 54.765 50 HB3 ASP 7 HB1 ASP 7 69.277 45.152 55.547 51 H SER 8 H SER 8 66.044 43.422 55.693 52 HA SER 8 HA SER 8 64.509 45.084 57.427 53 HB2 SER 8 HB2 SER 8 65.391 42.117 57.627 54 HB3 SER 8 HB1 SER 8 64.049 42.844 58.631 55 HG SER 8 HG SER 8 63.102 43.471 56.806 56 H GLY 9 H GLY 9 67.863 44.424 57.881 57 HA2 GLY 9 HA2 GLY 9 69.207 44.119 59.874 58 HA3 GLY 9 HA1 GLY 9 68.695 45.870 59.807 59 H TYR 10 H TYR 10 68.245 46.394 61.824 60 HA TYR 10 HA TYR 10 67.203 44.548 63.731 61 HB2 TYR 10 HB2 TYR 10 69.182 44.360 65.048 62 HB3 TYR 10 HB1 TYR 10 69.745 44.117 63.367 63 HD1 TYR 10 HD1 TYR 10 70.940 45.822 62.103 64 HD2 TYR 10 HD2 TYR 10 70.228 46.280 66.365 65 HE1 TYR 10 HE1 TYR 10 72.361 47.877 62.126 66 HE2 TYR 10 HE2 TYR 10 71.649 48.273 66.304 67 HH TYR 10 HH TYR 10 73.213 49.631 63.554 68 H GLU 11 H GLU 11 68.131 47.830 62.983 69 HA GLU 11 HA GLU 11 67.758 48.950 65.686 70 HB2 GLU 11 HB2 GLU 11 69.304 49.775 63.831 71 HB3 GLU 11 HB1 GLU 11 67.653 50.224 63.132 72 HG2 GLU 11 HG2 GLU 11 69.138 52.107 64.568 73 HG3 GLU 11 HG1 GLU 11 67.377 51.990 64.603 74 H VAL 12 H VAL 12 66.011 50.546 65.980 75 HA VAL 12 HA VAL 12 63.417 49.550 65.563 76 HB VAL 12 HB VAL 12 64.104 51.075 67.352 77 HG11 VAL 12 1HG1 VAL 12 63.843 53.247 65.286 78 HG12 VAL 12 2HG1 VAL 12 64.193 53.511 67.058 79 HG13 VAL 12 3HG1 VAL 12 65.313 52.718 66.084 80 HG21 VAL 12 1HG2 VAL 12 62.012 50.975 67.799 81 HG22 VAL 12 2HG2 VAL 12 61.946 52.621 67.118 82 HG23 VAL 12 3HG2 VAL 12 61.513 51.317 66.078 83 H HIS 13 H HIS 13 64.934 52.230 63.565 84 HA HIS 13 HA HIS 13 62.724 52.379 61.722 85 HB2 HIS 13 HB2 HIS 13 64.160 53.859 60.418 86 HB3 HIS 13 HB1 HIS 13 64.264 54.239 62.201 87 HD2 HIS 13 HD2 HIS 13 66.110 53.729 58.995 88 HE1 HIS 13 HE1 HIS 13 68.927 52.638 61.986 89 HE2 HIS 13 HE2 HIS 13 68.622 53.215 59.510 90 H HIS 14 H HIS 14 65.393 50.230 61.806 91 HA HIS 14 HA HIS 14 65.432 49.384 59.022 92 HB2 HIS 14 HB2 HIS 14 66.187 47.578 61.374 93 HB3 HIS 14 HB1 HIS 14 66.621 47.280 59.809 94 HD2 HIS 14 HD2 HIS 14 67.481 50.743 59.517 95 HE1 HIS 14 HE1 HIS 14 71.010 49.196 61.159 96 HE2 HIS 14 HE2 HIS 14 69.895 51.114 59.883 97 H GLN 15 H GLN 15 63.964 48.193 61.862 98 HA GLN 15 HA GLN 15 62.229 46.293 60.680 99 HB2 GLN 15 HB2 GLN 15 62.765 47.363 63.455 100 HB3 GLN 15 HB1 GLN 15 61.653 45.969 63.161 101 HG2 GLN 15 HG2 GLN 15 63.720 44.998 61.871 102 HG3 GLN 15 HG1 GLN 15 64.647 46.151 62.912 103 HE21 GLN 15 1HE2 GLN 15 64.057 42.925 62.772 104 HE22 GLN 15 2HE2 GLN 15 64.287 42.629 64.476 105 H LYS 16 H LYS 16 61.720 49.342 60.184 106 HA LYS 16 HA LYS 16 59.288 50.095 61.431 107 HB2 LYS 16 HB2 LYS 16 58.930 51.612 59.491 108 HB3 LYS 16 HB1 LYS 16 60.652 51.648 60.035 109 HG2 LYS 16 HG2 LYS 16 61.258 50.271 58.142 110 HG3 LYS 16 HG1 LYS 16 59.562 49.948 57.676 111 HD2 LYS 16 HD2 LYS 16 60.434 51.562 56.159 112 HD3 LYS 16 HD1 LYS 16 59.378 52.412 57.230 113 HE2 LYS 16 HE2 LYS 16 61.324 53.894 56.969 114 HE3 LYS 16 HE1 LYS 16 61.136 53.177 58.614 115 HZ1 LYS 16 HZ1 LYS 16 63.269 52.212 58.295 116 HZ2 LYS 16 HZ2 LYS 16 62.852 51.789 56.771 117 HZ3 LYS 16 HZ3 LYS 16 63.365 53.294 57.035 118 H LEU 17 H LEU 17 59.330 47.936 58.573 119 HA LEU 17 HA LEU 17 56.351 47.965 58.633 120 HB2 LEU 17 HB2 LEU 17 57.523 47.903 56.343 121 HB3 LEU 17 HB1 LEU 17 58.239 46.326 56.800 122 HG LEU 17 HG LEU 17 55.829 45.422 56.897 123 HD11 LEU 17 1HD1 LEU 17 55.408 48.290 55.782 124 HD12 LEU 17 2HD1 LEU 17 54.207 47.020 55.891 125 HD13 LEU 17 3HD1 LEU 17 54.690 47.734 57.341 126 HD21 LEU 17 1HD2 LEU 17 55.547 45.549 54.414 127 HD22 LEU 17 2HD2 LEU 17 56.972 46.739 54.403 128 HD23 LEU 17 3HD2 LEU 17 57.021 45.073 54.852 129 H VAL 18 H VAL 18 59.046 45.982 59.783 130 HA VAL 18 HA VAL 18 57.664 43.489 60.249 131 HB VAL 18 HB VAL 18 60.120 44.746 61.309 132 HG11 VAL 18 1HG1 VAL 18 58.795 42.130 62.463 133 HG12 VAL 18 2HG1 VAL 18 60.546 42.540 62.590 134 HG13 VAL 18 3HG1 VAL 18 59.392 43.541 63.361 135 HG21 VAL 18 1HG2 VAL 18 61.237 43.010 60.176 136 HG22 VAL 18 2HG2 VAL 18 59.578 42.362 59.584 137 HG23 VAL 18 3HG2 VAL 18 60.007 43.869 59.146 138 H PHE 19 H PHE 19 58.279 46.218 62.548 139 HA PHE 19 HA PHE 19 56.295 45.435 64.445 140 HB2 PHE 19 HB2 PHE 19 57.014 48.245 63.716 141 HB3 PHE 19 HB1 PHE 19 56.109 47.728 65.161 142 HD1 PHE 19 HD1 PHE 19 59.261 49.091 64.414 143 HD2 PHE 19 HD2 PHE 19 57.550 45.555 66.424 144 HE1 PHE 19 HE1 PHE 19 61.252 48.694 65.460 145 HE2 PHE 19 HE2 PHE 19 59.551 45.688 67.952 146 HZ PHE 19 HZ PHE 19 61.444 46.982 67.320 147 H PHE 20 H PHE 20 55.495 46.474 61.384 148 HA PHE 20 HA PHE 20 52.661 47.048 62.097 149 HB2 PHE 20 HB2 PHE 20 53.278 48.348 60.378 150 HB3 PHE 20 HB1 PHE 20 53.911 46.946 59.412 151 HD1 PHE 20 HD1 PHE 20 52.264 46.054 57.886 152 HD2 PHE 20 HD2 PHE 20 50.679 48.424 61.109 153 HE1 PHE 20 HE1 PHE 20 50.037 46.274 56.690 154 HE2 PHE 20 HE2 PHE 20 48.551 48.672 60.040 155 HZ PHE 20 HZ PHE 20 48.094 47.328 57.875 156 H ALA 21 H ALA 21 54.509 44.617 60.395 157 HA ALA 21 HA ALA 21 52.617 42.583 59.982 158 HB1 ALA 21 HB1 ALA 21 55.689 42.493 60.093 159 HB2 ALA 21 HB2 ALA 21 54.712 41.179 59.631 160 HB3 ALA 21 HB3 ALA 21 54.516 42.600 58.631 161 H GLU 22 H GLU 22 54.678 43.128 62.712 162 HA GLU 22 HA GLU 22 54.118 40.713 64.333 163 HB2 GLU 22 HB2 GLU 22 55.030 43.402 64.978 164 HB3 GLU 22 HB1 GLU 22 54.715 42.164 66.147 165 HG2 GLU 22 HG2 GLU 22 56.725 41.737 63.882 166 HG3 GLU 22 HG1 GLU 22 57.059 42.471 65.474 167 H ASP 23 H ASP 23 52.109 43.698 64.085 168 HA ASP 23 HA ASP 23 50.241 42.669 66.105 169 HB2 ASP 23 HB2 ASP 23 50.696 45.329 64.858 170 HB3 ASP 23 HB1 ASP 23 49.269 44.914 65.859 171 H VAL 24 H VAL 24 50.370 43.196 62.670 172 HA VAL 24 HA VAL 24 47.417 42.788 62.698 173 HB VAL 24 HB VAL 24 47.355 42.695 60.301 174 HG11 VAL 24 1HG1 VAL 24 47.792 45.004 59.868 175 HG12 VAL 24 2HG1 VAL 24 47.079 44.923 61.417 176 HG13 VAL 24 3HG1 VAL 24 48.897 45.203 61.144 177 HG21 VAL 24 1HG2 VAL 24 49.446 41.771 59.776 178 HG22 VAL 24 2HG2 VAL 24 49.285 43.423 59.017 179 HG23 VAL 24 3HG2 VAL 24 50.281 43.263 60.449 180 H GLY 25 H GLY 25 50.202 40.836 62.346 181 HA2 GLY 25 HA2 GLY 25 50.576 38.660 62.801 182 HA3 GLY 25 HA1 GLY 25 48.838 38.243 62.475 183 H SER 26 H SER 26 49.333 39.623 59.843 184 HA SER 26 HA SER 26 50.268 37.059 58.469 185 HB2 SER 26 HB2 SER 26 47.408 38.127 58.060 186 HB3 SER 26 HB1 SER 26 48.162 36.698 57.253 187 HG SER 26 HG SER 26 47.173 37.009 59.784 188 H ASN 27 H ASN 27 51.537 39.540 58.252 189 HA ASN 27 HA ASN 27 50.451 41.386 56.212 190 HB2 ASN 27 HB2 ASN 27 51.594 42.169 58.109 191 HB3 ASN 27 HB1 ASN 27 53.076 41.373 57.686 192 HD21 ASN 27 1HD2 ASN 27 54.366 42.586 56.317 193 HD22 ASN 27 2HD2 ASN 27 53.807 44.038 55.440 194 H LYS 28 H LYS 28 53.402 39.313 56.246 195 HA LYS 28 HA LYS 28 53.863 39.673 53.392 196 HB2 LYS 28 HB2 LYS 28 55.428 37.964 53.268 197 HB3 LYS 28 HB1 LYS 28 55.798 38.749 54.739 198 HG2 LYS 28 HG2 LYS 28 54.661 37.069 56.069 199 HG3 LYS 28 HG1 LYS 28 54.140 36.211 54.648 200 HD2 LYS 28 HD2 LYS 28 55.980 35.004 55.205 201 HD3 LYS 28 HD1 LYS 28 56.461 36.010 53.856 202 HE2 LYS 28 HE2 LYS 28 57.572 37.608 55.516 203 HE3 LYS 28 HE1 LYS 28 56.939 36.619 56.862 204 HZ1 LYS 28 HZ1 LYS 28 58.734 35.669 54.725 205 HZ2 LYS 28 HZ2 LYS 28 59.259 35.893 56.341 206 HZ3 LYS 28 HZ3 LYS 28 58.075 34.845 55.942 207 H GLY 29 H GLY 29 51.777 37.371 55.081 208 HA2 GLY 29 HA2 GLY 29 50.684 35.916 53.090 209 HA3 GLY 29 HA1 GLY 29 49.728 36.598 54.400 210 H ALA 30 H ALA 30 49.668 39.198 54.199 211 HA ALA 30 HA ALA 30 47.768 39.721 52.105 212 HB1 ALA 30 HB1 ALA 30 49.382 41.515 54.033 213 HB2 ALA 30 HB2 ALA 30 48.335 42.230 52.782 214 HB3 ALA 30 HB3 ALA 30 47.728 41.028 54.069 215 H ILE 31 H ILE 31 51.151 40.534 52.201 216 HA ILE 31 HA ILE 31 51.256 42.147 49.800 217 HB ILE 31 HB ILE 31 53.222 40.526 51.394 218 HG12 ILE 31 2HG1 ILE 31 53.360 43.454 50.994 219 HG13 ILE 31 1HG1 ILE 31 52.556 42.659 52.405 220 HG21 ILE 31 1HG2 ILE 31 53.946 42.184 49.054 221 HG22 ILE 31 2HG2 ILE 31 55.198 41.354 49.983 222 HG23 ILE 31 3HG2 ILE 31 54.074 40.413 48.981 223 HD11 ILE 31 HD1 ILE 31 54.736 43.306 53.245 224 HD12 ILE 31 HD2 ILE 31 54.657 41.525 53.034 225 HD13 ILE 31 HD3 ILE 31 55.549 42.574 51.958 226 H ILE 32 H ILE 32 51.389 38.674 50.334 227 HA ILE 32 HA ILE 32 51.887 37.904 47.552 228 HB ILE 32 HB ILE 32 51.145 36.272 50.021 229 HG12 ILE 32 2HG1 ILE 32 53.741 36.462 48.533 230 HG13 ILE 32 1HG1 ILE 32 53.395 37.263 49.962 231 HG21 ILE 32 1HG2 ILE 32 51.580 34.427 48.302 232 HG22 ILE 32 2HG2 ILE 32 50.137 35.297 47.796 233 HG23 ILE 32 3HG2 ILE 32 51.714 35.636 47.074 234 HD11 ILE 32 HD1 ILE 32 53.286 34.206 49.675 235 HD12 ILE 32 HD2 ILE 32 54.703 35.165 50.293 236 HD13 ILE 32 HD3 ILE 32 53.047 35.068 51.113 237 H GLY 33 H GLY 33 49.002 38.521 49.572 238 HA2 GLY 33 HA2 GLY 33 46.964 37.714 47.648 239 HA3 GLY 33 HA1 GLY 33 46.791 38.963 48.948 240 H LEU 34 H LEU 34 48.662 41.030 48.177 241 HA LEU 34 HA LEU 34 47.325 42.092 45.845 242 HB2 LEU 34 HB2 LEU 34 50.116 42.698 47.153 243 HB3 LEU 34 HB1 LEU 34 49.338 43.662 45.981 244 HG LEU 34 HG LEU 34 48.175 43.191 48.836 245 HD11 LEU 34 1HD1 LEU 34 49.976 45.415 47.691 246 HD12 LEU 34 2HD1 LEU 34 49.250 45.352 49.389 247 HD13 LEU 34 3HD1 LEU 34 50.366 44.244 48.910 248 HD21 LEU 34 1HD2 LEU 34 47.650 45.330 46.779 249 HD22 LEU 34 2HD2 LEU 34 46.586 43.973 47.161 250 HD23 LEU 34 3HD2 LEU 34 46.956 45.263 48.329 251 H MET 35 H MET 35 50.115 40.008 45.982 252 HA MET 35 HA MET 35 50.862 40.608 43.283 253 HB2 MET 35 HB2 MET 35 52.717 40.091 44.830 254 HB3 MET 35 HB1 MET 35 51.863 38.457 45.222 255 HG2 MET 35 HG2 MET 35 53.731 37.954 43.850 256 HG3 MET 35 HG1 MET 35 52.327 37.696 42.897 257 HE1 MET 35 HE1 MET 35 54.551 41.025 43.886 258 HE2 MET 35 HE2 MET 35 55.657 39.724 43.558 259 HE3 MET 35 HE3 MET 35 55.495 41.021 42.402 260 H VAL 36 H VAL 36 48.942 38.182 44.798 261 HA VAL 36 HA VAL 36 48.401 36.596 42.445 262 HB VAL 36 HB VAL 36 47.056 36.824 45.180 263 HG11 VAL 36 1HG1 VAL 36 46.534 34.872 42.781 264 HG12 VAL 36 2HG1 VAL 36 45.872 34.805 44.319 265 HG13 VAL 36 3HG1 VAL 36 45.497 36.168 43.225 266 HG21 VAL 36 1HG2 VAL 36 48.711 34.523 43.848 267 HG22 VAL 36 2HG2 VAL 36 49.465 35.782 44.903 268 HG23 VAL 36 3HG2 VAL 36 48.278 34.724 45.555 269 H GLY 37 H GLY 37 46.797 39.355 44.017 270 HA2 GLY 37 HA2 GLY 37 44.928 39.987 42.089 271 HA3 GLY 37 HA1 GLY 37 45.902 41.103 43.133 272 H GLY 38 H GLY 38 48.411 40.846 42.077 273 HA2 GLY 38 HA2 GLY 38 48.603 42.251 39.729 274 HA3 GLY 38 HA1 GLY 38 49.993 41.078 40.242 275 H VAL 39 H VAL 39 48.685 38.675 40.074 276 HA VAL 39 HA VAL 39 48.980 38.334 37.269 277 HB VAL 39 HB VAL 39 47.678 36.290 39.186 278 HG11 VAL 39 1HG1 VAL 39 48.937 34.720 37.574 279 HG12 VAL 39 2HG1 VAL 39 47.395 35.345 37.050 280 HG13 VAL 39 3HG1 VAL 39 48.893 36.089 36.433 281 HG21 VAL 39 1HG2 VAL 39 50.207 37.138 39.705 282 HG22 VAL 39 2HG2 VAL 39 50.054 35.446 39.488 283 HG23 VAL 39 3HG2 VAL 39 50.569 36.319 38.151 284 H VAL 40 H VAL 40 45.974 38.635 39.321 285 HA VAL 40 HA VAL 40 44.071 37.804 37.385 286 HB VAL 40 HB VAL 40 43.878 39.911 39.461 287 HG11 VAL 40 1HG1 VAL 40 42.207 40.582 37.874 288 HG12 VAL 40 2HG1 VAL 40 41.867 38.844 37.385 289 HG13 VAL 40 3HG1 VAL 40 41.308 39.490 38.944 290 HG21 VAL 40 1HG2 VAL 40 42.701 38.160 40.737 291 HG22 VAL 40 2HG2 VAL 40 42.296 37.299 39.272 292 HG23 VAL 40 3HG2 VAL 40 43.933 37.187 39.910 293 H ILE 41 H ILE 41 45.670 40.955 38.013 294 HA ILE 41 HA ILE 41 44.243 42.286 35.862 295 HB ILE 41 HB ILE 41 46.680 43.032 37.425 296 HG12 ILE 41 2HG1 ILE 41 44.020 44.338 37.507 297 HG13 ILE 41 1HG1 ILE 41 44.415 42.979 38.653 298 HG21 ILE 41 1HG2 ILE 41 45.058 44.631 35.262 299 HG22 ILE 41 2HG2 ILE 41 46.315 45.334 36.401 300 HG23 ILE 41 3HG2 ILE 41 46.741 44.232 35.177 301 HD11 ILE 41 HD1 ILE 41 44.578 45.229 39.680 302 HD12 ILE 41 HD2 ILE 41 46.084 44.184 39.669 303 HD13 ILE 41 HD3 ILE 41 45.943 45.548 38.594 304 H ALA 42 H ALA 42 47.576 40.734 35.842 305 HA ALA 42 HA ALA 42 48.242 41.182 33.124 306 HB1 ALA 42 HB1 ALA 42 49.605 40.066 34.874 307 HB2 ALA 42 HB2 ALA 42 48.649 38.561 34.670 308 HB3 ALA 42 HB3 ALA 42 49.599 39.191 33.314 309 H THR 43 H THR 43 46.196 38.611 34.634 310 HA THR 43 HA THR 43 45.306 37.163 32.371 311 HB THR 43 HB THR 43 43.335 37.958 34.579 312 HG1 THR 43 HG1 THR 43 45.382 37.102 35.602 313 HG21 THR 43 1HG2 THR 43 43.864 35.353 33.076 314 HG22 THR 43 2HG2 THR 43 42.599 35.589 34.257 315 HG23 THR 43 3HG2 THR 43 42.478 36.480 32.786 316 H VAL 44 H VAL 44 43.827 40.092 33.770 317 HA VAL 44 HA VAL 44 41.612 40.352 31.925 318 HB VAL 44 HB VAL 44 43.005 42.154 33.745 319 HG11 VAL 44 1HG1 VAL 44 40.974 43.112 31.742 320 HG12 VAL 44 2HG1 VAL 44 41.215 43.979 33.198 321 HG13 VAL 44 3HG1 VAL 44 42.486 43.932 32.068 322 HG21 VAL 44 1HG2 VAL 44 41.064 42.306 34.927 323 HG22 VAL 44 2HG2 VAL 44 40.169 41.337 33.741 324 HG23 VAL 44 3HG2 VAL 44 41.476 40.528 34.670 325 H ILE 45 H ILE 45 44.903 41.853 32.062 326 HA ILE 45 HA ILE 45 44.941 43.331 29.637 327 HB ILE 45 HB ILE 45 46.967 42.090 31.426 328 HG12 ILE 45 2HG1 ILE 45 46.405 44.993 31.131 329 HG13 ILE 45 1HG1 ILE 45 45.541 43.917 32.229 330 HG21 ILE 45 1HG2 ILE 45 47.657 43.988 28.961 331 HG22 ILE 45 2HG2 ILE 45 48.798 43.438 30.183 332 HG23 ILE 45 3HG2 ILE 45 48.177 42.234 29.114 333 HD11 ILE 45 HD1 ILE 45 48.045 43.387 33.144 334 HD12 ILE 45 HD2 ILE 45 48.490 44.658 31.957 335 HD13 ILE 45 HD3 ILE 45 47.400 45.034 33.248 336 H VAL 46 H VAL 46 45.675 39.936 30.056 337 HA VAL 46 HA VAL 46 46.327 39.595 27.276 338 HB VAL 46 HB VAL 46 45.715 37.690 29.543 339 HG11 VAL 46 1HG1 VAL 46 46.328 35.757 27.849 340 HG12 VAL 46 2HG1 VAL 46 44.917 36.674 27.251 341 HG13 VAL 46 3HG1 VAL 46 46.551 36.947 26.623 342 HG21 VAL 46 1HG2 VAL 46 48.133 38.218 27.850 343 HG22 VAL 46 2HG2 VAL 46 48.065 38.544 29.532 344 HG23 VAL 46 3HG2 VAL 46 48.038 36.827 28.884 345 H ILE 47 H ILE 47 43.266 39.057 29.017 346 HA ILE 47 HA ILE 47 41.957 38.169 26.720 347 HB ILE 47 HB ILE 47 41.170 39.428 29.261 348 HG12 ILE 47 2HG1 ILE 47 40.438 36.718 28.367 349 HG13 ILE 47 1HG1 ILE 47 42.079 37.100 28.949 350 HG21 ILE 47 1HG2 ILE 47 38.718 38.970 28.873 351 HG22 ILE 47 2HG2 ILE 47 39.447 40.317 27.834 352 HG23 ILE 47 3HG2 ILE 47 39.114 38.617 27.191 353 HD11 ILE 47 HD1 ILE 47 40.440 36.212 30.756 354 HD12 ILE 47 HD2 ILE 47 41.130 37.803 31.152 355 HD13 ILE 47 HD3 ILE 47 39.479 37.597 30.471 356 H THR 48 H THR 48 42.851 41.442 27.767 357 HA THR 48 HA THR 48 41.098 42.924 26.076 358 HB THR 48 HB THR 48 43.436 43.956 27.779 359 HG1 THR 48 HG1 THR 48 41.778 43.028 29.124 360 HG21 THR 48 1HG2 THR 48 42.065 45.975 27.741 361 HG22 THR 48 2HG2 THR 48 42.351 45.600 26.037 362 HG23 THR 48 3HG2 THR 48 40.806 45.162 26.770 363 H LEU 49 H LEU 49 44.479 41.586 25.801 364 HA LEU 49 HA LEU 49 44.758 42.972 23.335 365 HB2 LEU 49 HB2 LEU 49 46.289 40.821 24.785 366 HB3 LEU 49 HB1 LEU 49 46.719 41.286 23.157 367 HG LEU 49 HG LEU 49 46.286 43.333 25.414 368 HD11 LEU 49 1HD1 LEU 49 47.819 41.517 26.322 369 HD12 LEU 49 2HD1 LEU 49 48.762 41.525 24.788 370 HD13 LEU 49 3HD1 LEU 49 48.723 42.872 25.952 371 HD21 LEU 49 1HD2 LEU 49 47.879 44.763 24.284 372 HD22 LEU 49 2HD2 LEU 49 48.262 43.385 23.160 373 HD23 LEU 49 3HD2 LEU 49 46.753 44.234 23.062 374 H VAL 50 H VAL 50 43.863 39.736 24.243 375 HA VAL 50 HA VAL 50 43.570 38.504 21.631 376 HB VAL 50 HB VAL 50 42.335 38.028 24.318 377 HG11 VAL 50 1HG1 VAL 50 41.797 36.347 21.708 378 HG12 VAL 50 2HG1 VAL 50 41.794 35.690 23.324 379 HG13 VAL 50 3HG1 VAL 50 40.617 37.000 22.916 380 HG21 VAL 50 1HG2 VAL 50 44.147 36.268 22.671 381 HG22 VAL 50 2HG2 VAL 50 44.782 37.443 23.933 382 HG23 VAL 50 3HG2 VAL 50 43.768 35.987 24.257 383 H MET 51 H MET 51 41.253 40.228 23.684 384 HA MET 51 HA MET 51 39.063 40.246 22.064 385 HB2 MET 51 HB2 MET 51 39.024 41.346 24.166 386 HB3 MET 51 HB1 MET 51 40.223 42.510 23.629 387 HG2 MET 51 HG2 MET 51 38.372 43.403 22.017 388 HG3 MET 51 HG1 MET 51 37.318 42.230 22.684 389 HE1 MET 51 HE1 MET 51 39.004 45.903 24.925 390 HE2 MET 51 HE2 MET 51 40.040 44.586 24.038 391 HE3 MET 51 HE3 MET 51 39.090 45.826 23.143 392 H LEU 52 H LEU 52 41.796 42.603 21.680 393 HA LEU 52 HA LEU 52 40.661 43.961 19.615 394 HB2 LEU 52 HB2 LEU 52 43.502 43.626 20.535 395 HB3 LEU 52 HB1 LEU 52 43.014 44.696 19.155 396 HG LEU 52 HG LEU 52 41.997 44.702 21.978 397 HD11 LEU 52 1HD1 LEU 52 44.108 46.403 20.714 398 HD12 LEU 52 2HD1 LEU 52 43.768 46.527 22.482 399 HD13 LEU 52 3HD1 LEU 52 44.476 45.080 21.866 400 HD21 LEU 52 1HD2 LEU 52 41.748 46.907 19.819 401 HD22 LEU 52 2HD2 LEU 52 40.465 45.973 20.574 402 HD23 LEU 52 3HD2 LEU 52 41.420 47.129 21.620 403 H LYS 53 H LYS 53 43.003 41.265 19.488 404 HA LYS 53 HA LYS 53 43.267 41.141 16.585 405 HB2 LYS 53 HB2 LYS 53 44.820 40.231 18.305 406 HB3 LYS 53 HB1 LYS 53 43.746 38.924 18.670 407 HG2 LYS 53 HG2 LYS 53 45.537 38.116 17.151 408 HG3 LYS 53 HG1 LYS 53 43.953 38.216 16.293 409 HD2 LYS 53 HD2 LYS 53 44.757 40.323 15.231 410 HD3 LYS 53 HD1 LYS 53 46.290 40.170 16.089 411 HE2 LYS 53 HE2 LYS 53 46.666 38.032 14.744 412 HE3 LYS 53 HE1 LYS 53 45.092 38.420 14.017 413 HZ1 LYS 53 HZ1 LYS 53 47.185 39.200 12.761 414 HZ2 LYS 53 HZ2 LYS 53 46.279 40.432 13.103 415 HZ3 LYS 53 HZ3 LYS 53 47.603 40.219 13.955 416 H LYS 54 H LYS 54 40.908 39.594 18.657 417 HA LYS 54 HA LYS 54 39.244 38.544 16.393 418 HB2 LYS 54 HB2 LYS 54 38.965 38.951 19.405 419 HB3 LYS 54 HB1 LYS 54 37.537 38.519 18.579 420 HG2 LYS 54 HG2 LYS 54 38.364 36.399 17.972 421 HG3 LYS 54 HG1 LYS 54 40.015 36.854 18.447 422 HD2 LYS 54 HD2 LYS 54 38.967 37.281 20.822 423 HD3 LYS 54 HD1 LYS 54 37.557 36.632 20.211 424 HE2 LYS 54 HE2 LYS 54 40.110 34.794 20.004 425 HE3 LYS 54 HE1 LYS 54 39.345 35.038 21.427 426 HZ1 LYS 54 HZ1 LYS 54 38.254 33.290 19.958 427 HZ2 LYS 54 HZ2 LYS 54 37.114 34.489 20.179 428 HZ3 LYS 54 HZ3 LYS 54 38.003 34.411 18.810 429 H LYS 55 H LYS 55 39.869 41.802 17.165 430 HA LYS 55 HA LYS 55 37.081 42.833 16.354 431 HB2 LYS 55 HB2 LYS 55 38.699 43.928 18.005 432 HB3 LYS 55 HB1 LYS 55 39.491 44.480 16.437 433 HG2 LYS 55 HG2 LYS 55 37.308 45.402 15.627 434 HG3 LYS 55 HG1 LYS 55 36.565 45.083 17.170 435 HD2 LYS 55 HD2 LYS 55 38.036 46.464 18.256 436 HD3 LYS 55 HD1 LYS 55 39.207 46.700 16.880 437 HE2 LYS 55 HE2 LYS 55 36.485 47.608 16.537 438 HE3 LYS 55 HE1 LYS 55 37.706 48.738 17.262 439 HZ1 LYS 55 HZ1 LYS 55 37.736 48.926 14.725 440 HZ2 LYS 55 HZ2 LYS 55 39.120 48.399 15.435 441 HZ3 LYS 55 HZ3 LYS 55 38.035 47.336 14.671 442 H1 DAR 101 H1 DAR 101 50.244 33.202 60.494 443 H2 DAR 101 H2 DAR 101 51.643 32.430 60.719 444 H3 DAR 101 H3 DAR 101 50.587 31.771 59.813 445 HA DAR 101 HA DAR 101 51.015 31.001 62.250 446 HB2 DAR 101 HB2 DAR 101 48.061 31.082 61.692 447 HB3 DAR 101 HB1 DAR 101 49.280 30.051 60.939 448 HG2 DAR 101 HG2 DAR 101 48.692 30.047 63.964 449 HG3 DAR 101 HG1 DAR 101 48.200 28.909 62.728 450 HD2 DAR 101 HD2 DAR 101 51.172 29.358 63.454 451 HD3 DAR 101 HD1 DAR 101 50.094 28.178 64.100 452 HE DAR 101 HE DAR 101 51.320 28.402 61.425 453 HH11 DAR 101 1HH2 DAR 101 49.738 26.466 63.819 454 HH12 DAR 101 2HH2 DAR 101 49.839 24.923 62.890 455 HH21 DAR 101 1HH1 DAR 101 51.547 26.445 60.283 456 HH22 DAR 101 2HH1 DAR 101 50.959 25.017 61.142 457 HA DPR 102 HA DPR 102 48.798 33.668 65.166 458 HB2 DPR 102 HB2 DPR 102 48.335 36.265 63.673 459 HB3 DPR 102 HB1 DPR 102 47.303 35.632 65.001 460 HG2 DPR 102 HG2 DPR 102 46.601 35.190 62.443 461 HG3 DPR 102 HG1 DPR 102 46.545 33.776 63.519 462 HD2 DPR 102 HD2 DPR 102 48.640 34.557 61.477 463 HD3 DPR 102 HD1 DPR 102 47.860 33.016 61.622 464 H DAR 103 H DAR 103 49.417 35.142 66.623 465 HA DAR 103 HA DAR 103 51.479 37.136 66.312 466 HB2 DAR 103 HB2 DAR 103 52.837 35.275 65.849 467 HB3 DAR 103 HB1 DAR 103 53.313 35.973 67.432 468 HG2 DAR 103 HG2 DAR 103 53.657 33.740 67.975 469 HG3 DAR 103 HG1 DAR 103 52.195 34.129 68.592 470 HD2 DAR 103 HD2 DAR 103 51.007 32.925 66.819 471 HD3 DAR 103 HD1 DAR 103 52.468 32.778 65.916 472 HE DAR 103 HE DAR 103 53.018 31.640 68.476 473 HH11 DAR 103 1HH2 DAR 103 52.922 29.142 68.464 474 HH12 DAR 103 2HH2 DAR 103 51.495 28.461 67.843 475 HH21 DAR 103 1HH1 DAR 103 50.686 31.281 65.984 476 HH22 DAR 103 2HH1 DAR 103 50.103 29.658 66.515 477 H 2TL 104 H 2TL 104 52.245 38.080 68.235 478 HA 2TL 104 HA 2TL 104 50.926 37.309 70.678 479 HB 2TL 104 HB 2TL 104 49.261 38.823 69.815 480 HG1 2TL 104 HG1 2TL 104 50.287 40.263 68.744 481 HG21 2TL 104 1HG2 2TL 104 49.309 38.682 72.328 482 HG22 2TL 104 2HG2 2TL 104 50.708 39.834 72.367 483 HG23 2TL 104 3HG2 2TL 104 49.077 40.259 71.777 484 H DAR 105 H DAR 105 53.410 38.943 69.007 485 HA DAR 105 HA DAR 105 54.817 39.741 71.595 486 HB2 DAR 105 HB2 DAR 105 56.258 41.228 70.129 487 HB3 DAR 105 HB1 DAR 105 55.167 40.895 68.736 488 HG2 DAR 105 HG2 DAR 105 53.241 41.875 69.526 489 HG3 DAR 105 HG1 DAR 105 53.861 41.880 71.197 490 HD2 DAR 105 HD2 DAR 105 55.308 43.743 70.770 491 HD3 DAR 105 HD1 DAR 105 55.312 43.452 69.057 492 HE DAR 105 HE DAR 105 53.012 44.073 68.838 493 HH11 DAR 105 1HH2 DAR 105 51.687 45.934 68.849 494 HH12 DAR 105 2HH2 DAR 105 51.963 47.081 70.120 495 HH21 DAR 105 1HH1 DAR 105 54.537 45.396 71.619 496 HH22 DAR 105 2HH1 DAR 105 53.360 46.737 71.658 497 H DLE 106 H DLE 106 55.415 38.322 68.444 498 HA DLE 106 HA DLE 106 56.988 36.969 67.688 499 HB2 DLE 106 HB2 DLE 106 57.398 35.956 70.480 500 HB3 DLE 106 HB1 DLE 106 56.100 35.473 69.480 501 HG DLE 106 HG DLE 106 58.945 34.769 68.958 502 HD11 DLE 106 1HD1 DLE 106 56.601 33.009 69.371 503 HD12 DLE 106 2HD1 DLE 106 58.308 32.542 69.446 504 HD13 DLE 106 3HD1 DLE 106 57.666 33.568 70.720 505 HD21 DLE 106 1HD2 DLE 106 57.650 33.486 66.971 506 HD22 DLE 106 2HD2 DLE 106 56.425 34.727 67.406 507 HD23 DLE 106 3HD2 DLE 106 58.118 35.212 66.925 508 H DHI 107 H DHI 107 57.845 39.230 67.587 509 HA DHI 107 HA DHI 107 60.349 39.838 69.186 510 HB2 DHI 107 HB2 DHI 107 58.580 41.543 67.269 511 HB3 DHI 107 HB1 DHI 107 58.703 41.728 69.071 512 HD2 DHI 107 HD2 DHI 107 60.340 42.460 65.623 513 HE1 DHI 107 HE1 DHI 107 63.019 44.109 68.438 514 HE2 DHI 107 HE2 DHI 107 62.453 43.957 65.986 515 H 2TL 108 H 2TL 108 59.389 38.810 66.067 516 HA 2TL 108 HA 2TL 108 62.245 38.823 65.297 517 HB 2TL 108 HB 2TL 108 60.826 40.810 64.452 518 HG1 2TL 108 HG1 2TL 108 59.146 39.403 64.023 519 HG21 2TL 108 1HG2 2TL 108 61.978 39.039 62.283 520 HG22 2TL 108 2HG2 2TL 108 62.051 40.804 62.281 521 HG23 2TL 108 3HG2 2TL 108 62.974 39.783 63.491 522 H DHI 109 H DHI 109 63.069 37.119 64.044 523 HA DHI 109 HA DHI 109 61.375 34.860 63.719 524 HB2 DHI 109 HB2 DHI 109 63.756 34.684 64.096 525 HB3 DHI 109 HB1 DHI 109 63.345 33.812 62.752 526 HD2 DHI 109 HD2 DHI 109 63.612 35.387 60.234 527 HE1 DHI 109 HE1 DHI 109 67.433 36.527 61.583 528 HE2 DHI 109 HE2 DHI 109 65.964 36.463 59.637 529 H DAR 110 H DAR 110 60.703 37.483 61.861 530 HA DAR 110 HA DAR 110 61.102 36.136 59.375 531 HB2 DAR 110 HB2 DAR 110 60.274 38.296 58.372 532 HB3 DAR 110 HB1 DAR 110 60.060 38.860 60.034 533 HG2 DAR 110 HG2 DAR 110 62.465 38.162 60.369 534 HG3 DAR 110 HG1 DAR 110 62.647 37.727 58.679 535 HD2 DAR 110 HD2 DAR 110 61.878 40.515 59.557 536 HD3 DAR 110 HD1 DAR 110 63.509 39.972 59.154 537 HE DAR 110 HE DAR 110 62.986 39.617 56.847 538 HH11 DAR 110 1HH2 DAR 110 62.014 40.446 55.154 539 HH12 DAR 110 2HH2 DAR 110 60.542 41.448 55.204 540 HH21 DAR 110 1HH1 DAR 110 60.043 40.596 58.489 541 HH22 DAR 110 2HH1 DAR 110 59.356 41.117 57.029 542 H DSG 111 H DSG 111 58.763 35.457 61.383 543 HA DSG 111 HA DSG 111 56.749 34.836 61.464 544 HB2 DSG 111 HB2 DSG 111 56.929 33.757 58.640 545 HB3 DSG 111 HB1 DSG 111 57.893 33.052 59.910 546 HD21 DSG 111 1HD2 DSG 111 54.699 31.282 59.545 547 HD22 DSG 111 2HD2 DSG 111 55.703 31.938 58.327 548 H DAR 112 H DAR 112 56.585 37.614 60.949 549 HA DAR 112 HA DAR 112 55.480 39.161 60.592 550 HB2 DAR 112 HB2 DAR 112 52.743 38.785 60.517 551 HB3 DAR 112 HB1 DAR 112 53.213 37.155 60.669 552 HG2 DAR 112 HG2 DAR 112 54.347 39.472 62.351 553 HG3 DAR 112 HG1 DAR 112 52.790 38.704 62.823 554 HD2 DAR 112 HD2 DAR 112 55.616 37.475 62.812 555 HD3 DAR 112 HD1 DAR 112 54.727 37.799 64.227 556 HE DAR 112 HE DAR 112 53.073 36.082 62.701 557 HH11 DAR 112 1HH2 DAR 112 56.025 35.904 64.575 558 HH12 DAR 112 2HH2 DAR 112 55.811 34.197 64.856 559 HH21 DAR 112 1HH1 DAR 112 53.021 33.891 63.037 560 HH22 DAR 112 2HH1 DAR 112 54.343 33.082 63.873 Start of MODEL 4 1 H1 ASP 1 H1 ASP 1 54.984 27.666 64.227 2 H2 ASP 1 H2 ASP 1 53.767 28.656 63.995 3 H3 ASP 1 H3 ASP 1 53.690 27.059 63.436 4 HA ASP 1 HA ASP 1 55.611 29.114 62.580 5 HB2 ASP 1 HB2 ASP 1 56.282 27.364 60.778 6 HB3 ASP 1 HB1 ASP 1 57.010 27.194 62.308 7 H ALA 2 H ALA 2 55.161 30.004 60.453 8 HA ALA 2 HA ALA 2 52.378 30.238 59.550 9 HB1 ALA 2 HB1 ALA 2 53.473 31.706 57.882 10 HB2 ALA 2 HB2 ALA 2 53.688 32.234 59.505 11 HB3 ALA 2 HB3 ALA 2 55.034 31.389 58.733 12 H GLU 3 H GLU 3 51.697 29.742 57.215 13 HA GLU 3 HA GLU 3 52.868 27.121 56.435 14 HB2 GLU 3 HB2 GLU 3 50.187 28.143 55.967 15 HB3 GLU 3 HB1 GLU 3 50.582 26.620 55.263 16 HG2 GLU 3 HG2 GLU 3 50.928 26.928 58.262 17 HG3 GLU 3 HG1 GLU 3 49.355 26.727 57.479 18 H PHE 4 H PHE 4 52.682 30.318 55.239 19 HA PHE 4 HA PHE 4 53.134 29.653 52.541 20 HB2 PHE 4 HB2 PHE 4 52.332 31.860 53.272 21 HB3 PHE 4 HB1 PHE 4 53.714 32.201 54.262 22 HD1 PHE 4 HD1 PHE 4 52.703 31.402 50.718 23 HD2 PHE 4 HD2 PHE 4 55.571 33.366 53.199 24 HE1 PHE 4 HE1 PHE 4 53.772 32.298 48.704 25 HE2 PHE 4 HE2 PHE 4 56.506 34.412 51.277 26 HZ PHE 4 HZ PHE 4 55.823 33.732 48.970 27 H ARG 5 H ARG 5 55.027 29.040 51.618 28 HA ARG 5 HA ARG 5 57.646 29.072 53.123 29 HB2 ARG 5 HB2 ARG 5 56.214 26.568 51.859 30 HB3 ARG 5 HB1 ARG 5 57.992 26.675 52.174 31 HG2 ARG 5 HG2 ARG 5 57.544 26.918 54.578 32 HG3 ARG 5 HG1 ARG 5 55.886 26.995 54.283 33 HD2 ARG 5 HD2 ARG 5 57.649 24.692 53.412 34 HD3 ARG 5 HD1 ARG 5 56.965 24.727 54.935 35 HE ARG 5 HE ARG 5 55.400 24.026 52.649 36 HH11 ARG 5 1HH1 ARG 5 55.090 24.854 56.166 37 HH12 ARG 5 2HH1 ARG 5 53.377 24.616 56.059 38 HH21 ARG 5 1HH2 ARG 5 53.500 23.030 53.068 39 HH22 ARG 5 2HH2 ARG 5 52.547 23.471 54.504 40 H HIS 6 H HIS 6 59.141 30.132 52.355 41 HA HIS 6 HA HIS 6 59.920 29.740 49.751 42 HB2 HIS 6 HB2 HIS 6 58.165 31.336 49.222 43 HB3 HIS 6 HB1 HIS 6 58.808 32.356 50.534 44 HD2 HIS 6 HD2 HIS 6 60.784 30.783 47.627 45 HE1 HIS 6 HE1 HIS 6 61.259 34.994 47.184 46 HE2 HIS 6 HE2 HIS 6 62.085 32.783 46.389 47 H ASP 7 H ASP 7 61.452 29.052 51.782 48 HA ASP 7 HA ASP 7 62.965 30.874 53.112 49 HB2 ASP 7 HB2 ASP 7 63.699 28.101 52.112 50 HB3 ASP 7 HB1 ASP 7 64.442 29.066 53.364 51 H SER 8 H SER 8 63.138 30.102 49.739 52 HA SER 8 HA SER 8 65.885 30.950 49.277 53 HB2 SER 8 HB2 SER 8 65.529 30.764 46.881 54 HB3 SER 8 HB1 SER 8 64.865 29.426 47.811 55 HG SER 8 HG SER 8 62.967 30.200 47.711 56 H GLY 9 H GLY 9 62.951 32.701 49.887 57 HA2 GLY 9 HA2 GLY 9 63.744 35.299 48.621 58 HA3 GLY 9 HA1 GLY 9 62.506 34.802 49.744 59 H TYR 10 H TYR 10 64.792 33.544 51.453 60 HA TYR 10 HA TYR 10 65.619 35.972 52.986 61 HB2 TYR 10 HB2 TYR 10 66.202 32.991 53.183 62 HB3 TYR 10 HB1 TYR 10 66.955 34.292 54.144 63 HD1 TYR 10 HD1 TYR 10 63.404 33.201 53.134 64 HD2 TYR 10 HD2 TYR 10 65.998 34.683 56.212 65 HE1 TYR 10 HE1 TYR 10 61.487 33.594 54.520 66 HE2 TYR 10 HE2 TYR 10 64.007 34.805 57.808 67 HH TYR 10 HH TYR 10 61.575 35.213 57.602 68 H GLU 11 H GLU 11 66.523 35.173 49.940 69 HA GLU 11 HA GLU 11 69.426 35.563 50.459 70 HB2 GLU 11 HB2 GLU 11 67.860 35.207 47.829 71 HB3 GLU 11 HB1 GLU 11 69.612 35.312 48.006 72 HG2 GLU 11 HG2 GLU 11 67.655 33.296 49.118 73 HG3 GLU 11 HG1 GLU 11 68.710 33.102 47.747 74 H VAL 12 H VAL 12 70.537 37.431 49.468 75 HA VAL 12 HA VAL 12 69.229 39.974 49.560 76 HB VAL 12 HB VAL 12 71.931 39.351 48.286 77 HG11 VAL 12 1HG1 VAL 12 72.589 41.452 48.722 78 HG12 VAL 12 2HG1 VAL 12 71.238 41.298 47.475 79 HG13 VAL 12 3HG1 VAL 12 70.920 42.084 49.000 80 HG21 VAL 12 1HG2 VAL 12 72.983 39.811 50.459 81 HG22 VAL 12 2HG2 VAL 12 71.341 40.211 51.077 82 HG23 VAL 12 3HG2 VAL 12 71.830 38.605 50.682 83 H HIS 13 H HIS 13 68.385 40.065 45.977 84 HA HIS 13 HA HIS 13 68.544 41.700 48.421 85 HB2 HIS 13 HB2 HIS 13 67.344 42.173 45.648 86 HB3 HIS 13 HB1 HIS 13 67.443 43.431 46.871 87 HD2 HIS 13 HD2 HIS 13 69.696 44.688 46.954 88 HE1 HIS 13 HE1 HIS 13 71.954 42.588 43.985 89 HE2 HIS 13 HE2 HIS 13 72.043 44.567 45.668 90 H HIS 14 H HIS 14 66.509 39.251 47.444 91 HA HIS 14 HA HIS 14 63.866 40.322 47.765 92 HB2 HIS 14 HB2 HIS 14 64.548 38.106 46.716 93 HB3 HIS 14 HB1 HIS 14 64.819 37.497 48.310 94 HD2 HIS 14 HD2 HIS 14 62.413 38.002 50.015 95 HE1 HIS 14 HE1 HIS 14 60.058 36.789 46.748 96 HE2 HIS 14 HE2 HIS 14 60.056 37.459 49.200 97 H GLN 15 H GLN 15 66.290 39.381 50.216 98 HA GLN 15 HA GLN 15 64.495 38.968 52.450 99 HB2 GLN 15 HB2 GLN 15 66.427 39.348 53.829 100 HB3 GLN 15 HB1 GLN 15 66.688 38.236 52.473 101 HG2 GLN 15 HG2 GLN 15 67.847 39.781 51.192 102 HG3 GLN 15 HG1 GLN 15 67.451 41.194 52.128 103 HE21 GLN 15 1HE2 GLN 15 69.080 37.917 52.851 104 HE22 GLN 15 2HE2 GLN 15 70.294 38.652 53.895 105 H LYS 16 H LYS 16 65.277 41.889 50.758 106 HA LYS 16 HA LYS 16 64.746 43.696 52.918 107 HB2 LYS 16 HB2 LYS 16 65.921 44.297 50.774 108 HB3 LYS 16 HB1 LYS 16 64.556 43.823 49.791 109 HG2 LYS 16 HG2 LYS 16 64.762 46.281 49.987 110 HG3 LYS 16 HG1 LYS 16 63.503 45.866 51.356 111 HD2 LYS 16 HD2 LYS 16 64.952 47.457 52.203 112 HD3 LYS 16 HD1 LYS 16 65.118 45.967 53.073 113 HE2 LYS 16 HE2 LYS 16 67.164 45.517 51.484 114 HE3 LYS 16 HE1 LYS 16 66.920 47.242 50.924 115 HZ1 LYS 16 HZ1 LYS 16 67.190 47.718 53.310 116 HZ2 LYS 16 HZ2 LYS 16 67.708 46.181 53.669 117 HZ3 LYS 16 HZ3 LYS 16 68.562 47.030 52.710 118 H LEU 17 H LEU 17 62.519 41.868 50.803 119 HA LEU 17 HA LEU 17 59.994 43.264 51.602 120 HB2 LEU 17 HB2 LEU 17 60.531 40.593 50.184 121 HB3 LEU 17 HB1 LEU 17 58.988 41.205 50.445 122 HG LEU 17 HG LEU 17 59.960 43.385 49.321 123 HD11 LEU 17 1HD1 LEU 17 61.196 42.791 47.166 124 HD12 LEU 17 2HD1 LEU 17 62.055 42.149 48.644 125 HD13 LEU 17 3HD1 LEU 17 61.071 41.029 47.757 126 HD21 LEU 17 1HD2 LEU 17 58.677 42.797 47.282 127 HD22 LEU 17 2HD2 LEU 17 58.700 41.079 47.702 128 HD23 LEU 17 3HD2 LEU 17 57.909 42.269 48.811 129 H VAL 18 H VAL 18 61.815 40.248 52.311 130 HA VAL 18 HA VAL 18 59.945 39.284 54.211 131 HB VAL 18 HB VAL 18 62.811 38.584 53.728 132 HG11 VAL 18 1HG1 VAL 18 62.364 36.522 54.841 133 HG12 VAL 18 2HG1 VAL 18 62.306 37.903 56.003 134 HG13 VAL 18 3HG1 VAL 18 60.748 37.206 55.448 135 HG21 VAL 18 1HG2 VAL 18 60.152 37.296 52.878 136 HG22 VAL 18 2HG2 VAL 18 61.135 38.080 51.901 137 HG23 VAL 18 3HG2 VAL 18 61.839 36.597 52.617 138 H PHE 19 H PHE 19 62.881 41.237 54.877 139 HA PHE 19 HA PHE 19 62.393 41.248 57.721 140 HB2 PHE 19 HB2 PHE 19 63.734 43.331 55.922 141 HB3 PHE 19 HB1 PHE 19 63.890 43.265 57.685 142 HD1 PHE 19 HD1 PHE 19 66.129 43.271 55.655 143 HD2 PHE 19 HD2 PHE 19 64.298 40.022 57.786 144 HE1 PHE 19 HE1 PHE 19 68.433 42.350 56.083 145 HE2 PHE 19 HE2 PHE 19 66.491 38.847 57.796 146 HZ PHE 19 HZ PHE 19 68.491 39.864 56.889 147 H PHE 20 H PHE 20 61.470 43.385 55.065 148 HA PHE 20 HA PHE 20 60.103 45.535 56.329 149 HB2 PHE 20 HB2 PHE 20 60.321 45.535 54.033 150 HB3 PHE 20 HB1 PHE 20 59.506 43.924 53.938 151 HD1 PHE 20 HD1 PHE 20 57.054 44.091 53.333 152 HD2 PHE 20 HD2 PHE 20 59.310 47.564 54.277 153 HE1 PHE 20 HE1 PHE 20 55.087 45.447 52.816 154 HE2 PHE 20 HE2 PHE 20 57.399 48.986 53.764 155 HZ PHE 20 HZ PHE 20 55.343 47.994 52.957 156 H ALA 21 H ALA 21 58.882 42.150 55.672 157 HA ALA 21 HA ALA 21 56.266 42.468 56.656 158 HB1 ALA 21 HB1 ALA 21 56.279 40.007 56.666 159 HB2 ALA 21 HB2 ALA 21 57.091 40.610 55.179 160 HB3 ALA 21 HB3 ALA 21 57.988 40.022 56.502 161 H GLU 22 H GLU 22 59.154 41.400 58.390 162 HA GLU 22 HA GLU 22 58.220 40.965 60.971 163 HB2 GLU 22 HB2 GLU 22 60.963 41.789 60.031 164 HB3 GLU 22 HB1 GLU 22 60.576 41.315 61.619 165 HG2 GLU 22 HG2 GLU 22 60.352 39.412 59.191 166 HG3 GLU 22 HG1 GLU 22 61.603 39.508 60.412 167 H ASP 23 H ASP 23 59.096 43.988 59.270 168 HA ASP 23 HA ASP 23 59.226 45.738 61.655 169 HB2 ASP 23 HB2 ASP 23 59.617 45.966 58.691 170 HB3 ASP 23 HB1 ASP 23 59.357 47.349 59.725 171 H VAL 24 H VAL 24 57.178 45.775 58.606 172 HA VAL 24 HA VAL 24 55.248 47.392 59.854 173 HB VAL 24 HB VAL 24 54.810 45.493 57.522 174 HG11 VAL 24 1HG1 VAL 24 53.029 46.737 56.942 175 HG12 VAL 24 2HG1 VAL 24 52.725 46.684 58.751 176 HG13 VAL 24 3HG1 VAL 24 53.447 48.091 57.990 177 HG21 VAL 24 1HG2 VAL 24 56.683 47.161 56.989 178 HG22 VAL 24 2HG2 VAL 24 55.153 47.525 56.147 179 HG23 VAL 24 3HG2 VAL 24 55.739 48.407 57.630 180 H GLY 25 H GLY 25 55.262 43.801 59.908 181 HA2 GLY 25 HA2 GLY 25 54.297 42.330 61.210 182 HA3 GLY 25 HA1 GLY 25 53.549 43.485 62.251 183 H SER 26 H SER 26 51.762 44.858 60.834 184 HA SER 26 HA SER 26 49.698 43.108 60.176 185 HB2 SER 26 HB2 SER 26 49.913 46.083 59.851 186 HB3 SER 26 HB1 SER 26 48.493 45.153 59.511 187 HG SER 26 HG SER 26 48.454 44.441 61.675 188 H ASN 27 H ASN 27 50.354 41.870 58.256 189 HA ASN 27 HA ASN 27 50.395 43.252 55.645 190 HB2 ASN 27 HB2 ASN 27 52.805 43.123 55.319 191 HB3 ASN 27 HB1 ASN 27 52.666 43.591 57.053 192 HD21 ASN 27 1HD2 ASN 27 52.836 41.610 58.502 193 HD22 ASN 27 2HD2 ASN 27 53.654 40.127 57.928 194 H LYS 28 H LYS 28 49.849 40.485 57.467 195 HA LYS 28 HA LYS 28 51.149 38.458 55.952 196 HB2 LYS 28 HB2 LYS 28 48.917 38.363 58.069 197 HB3 LYS 28 HB1 LYS 28 49.500 36.918 57.342 198 HG2 LYS 28 HG2 LYS 28 51.840 37.550 58.201 199 HG3 LYS 28 HG1 LYS 28 51.163 39.096 58.668 200 HD2 LYS 28 HD2 LYS 28 49.660 38.135 60.342 201 HD3 LYS 28 HD1 LYS 28 50.289 36.510 59.972 202 HE2 LYS 28 HE2 LYS 28 51.230 37.336 61.988 203 HE3 LYS 28 HE1 LYS 28 52.506 37.362 60.868 204 HZ1 LYS 28 HZ1 LYS 28 52.373 39.416 62.094 205 HZ2 LYS 28 HZ2 LYS 28 52.120 39.786 60.526 206 HZ3 LYS 28 HZ3 LYS 28 50.823 39.643 61.467 207 H GLY 29 H GLY 29 47.954 39.705 55.939 208 HA2 GLY 29 HA2 GLY 29 46.708 38.111 53.827 209 HA3 GLY 29 HA1 GLY 29 46.072 39.540 54.511 210 H ALA 30 H ALA 30 48.028 41.546 54.179 211 HA ALA 30 HA ALA 30 47.303 42.590 51.781 212 HB1 ALA 30 HB1 ALA 30 48.200 43.904 53.479 213 HB2 ALA 30 HB2 ALA 30 49.901 43.311 53.205 214 HB3 ALA 30 HB3 ALA 30 49.041 44.202 52.013 215 H ILE 31 H ILE 31 50.592 40.906 52.213 216 HA ILE 31 HA ILE 31 51.416 41.735 49.565 217 HB ILE 31 HB ILE 31 52.838 39.870 51.346 218 HG12 ILE 31 2HG1 ILE 31 52.811 42.797 51.268 219 HG13 ILE 31 1HG1 ILE 31 52.493 41.899 52.676 220 HG21 ILE 31 1HG2 ILE 31 53.461 39.950 48.882 221 HG22 ILE 31 2HG2 ILE 31 53.904 41.609 49.083 222 HG23 ILE 31 3HG2 ILE 31 54.720 40.276 49.983 223 HD11 ILE 31 HD1 ILE 31 54.681 42.769 53.003 224 HD12 ILE 31 HD2 ILE 31 54.915 41.073 52.522 225 HD13 ILE 31 HD3 ILE 31 55.234 42.329 51.358 226 H ILE 32 H ILE 32 50.698 38.444 50.932 227 HA ILE 32 HA ILE 32 50.719 37.015 48.638 228 HB ILE 32 HB ILE 32 50.235 36.016 50.741 229 HG12 ILE 32 2HG1 ILE 32 48.432 34.507 50.273 230 HG13 ILE 32 1HG1 ILE 32 47.809 35.475 49.068 231 HG21 ILE 32 1HG2 ILE 32 48.162 36.128 51.934 232 HG22 ILE 32 2HG2 ILE 32 48.798 37.682 51.909 233 HG23 ILE 32 3HG2 ILE 32 47.389 37.263 50.827 234 HD11 ILE 32 HD1 ILE 32 49.774 34.869 47.502 235 HD12 ILE 32 HD2 ILE 32 50.505 34.112 48.850 236 HD13 ILE 32 HD3 ILE 32 49.028 33.426 48.219 237 H GLY 33 H GLY 33 48.181 39.436 49.597 238 HA2 GLY 33 HA2 GLY 33 46.333 38.877 47.418 239 HA3 GLY 33 HA1 GLY 33 46.471 40.335 48.386 240 H LEU 34 H LEU 34 49.324 40.885 47.665 241 HA LEU 34 HA LEU 34 48.782 42.459 45.316 242 HB2 LEU 34 HB2 LEU 34 51.345 42.113 46.748 243 HB3 LEU 34 HB1 LEU 34 51.004 43.326 45.482 244 HG LEU 34 HG LEU 34 49.576 43.195 48.186 245 HD11 LEU 34 1HD1 LEU 34 50.763 45.203 48.722 246 HD12 LEU 34 2HD1 LEU 34 52.039 44.102 48.153 247 HD13 LEU 34 3HD1 LEU 34 51.551 45.271 47.059 248 HD21 LEU 34 1HD2 LEU 34 49.452 45.451 46.229 249 HD22 LEU 34 2HD2 LEU 34 48.089 44.148 46.236 250 HD23 LEU 34 3HD2 LEU 34 48.432 44.988 47.653 251 H MET 35 H MET 35 51.027 39.802 45.947 252 HA MET 35 HA MET 35 51.985 38.870 43.546 253 HB2 MET 35 HB2 MET 35 50.982 37.459 46.040 254 HB3 MET 35 HB1 MET 35 51.831 36.605 44.805 255 HG2 MET 35 HG2 MET 35 53.724 38.366 45.119 256 HG3 MET 35 HG1 MET 35 52.937 38.964 46.550 257 HE1 MET 35 HE1 MET 35 52.638 36.283 48.522 258 HE2 MET 35 HE2 MET 35 52.190 35.575 46.943 259 HE3 MET 35 HE3 MET 35 53.472 34.927 47.995 260 H VAL 36 H VAL 36 49.001 37.944 45.032 261 HA VAL 36 HA VAL 36 48.023 36.339 42.905 262 HB VAL 36 HB VAL 36 46.562 37.374 45.349 263 HG11 VAL 36 1HG1 VAL 36 45.594 36.023 42.911 264 HG12 VAL 36 2HG1 VAL 36 44.668 35.916 44.490 265 HG13 VAL 36 3HG1 VAL 36 44.875 37.442 43.573 266 HG21 VAL 36 1HG2 VAL 36 46.689 35.074 46.004 267 HG22 VAL 36 2HG2 VAL 36 47.400 34.645 44.341 268 HG23 VAL 36 3HG2 VAL 36 48.325 35.567 45.494 269 H GLY 37 H GLY 37 46.917 39.663 43.829 270 HA2 GLY 37 HA2 GLY 37 45.340 40.498 41.915 271 HA3 GLY 37 HA1 GLY 37 46.672 41.514 42.477 272 H GLY 38 H GLY 38 48.907 40.450 41.613 273 HA2 GLY 38 HA2 GLY 38 49.726 41.531 39.244 274 HA3 GLY 38 HA1 GLY 38 50.392 40.078 39.883 275 H VAL 39 H VAL 39 48.923 37.959 39.670 276 HA VAL 39 HA VAL 39 48.918 37.342 36.808 277 HB VAL 39 HB VAL 39 48.311 35.241 37.242 278 HG11 VAL 39 1HG1 VAL 39 50.247 36.192 39.535 279 HG12 VAL 39 2HG1 VAL 39 50.304 34.605 38.667 280 HG13 VAL 39 3HG1 VAL 39 50.639 36.213 37.876 281 HG21 VAL 39 1HG2 VAL 39 47.636 35.955 40.153 282 HG22 VAL 39 2HG2 VAL 39 46.523 35.647 38.943 283 HG23 VAL 39 3HG2 VAL 39 47.673 34.299 39.410 284 H VAL 40 H VAL 40 46.225 38.065 39.068 285 HA VAL 40 HA VAL 40 43.948 37.425 37.398 286 HB VAL 40 HB VAL 40 44.280 39.073 39.804 287 HG11 VAL 40 1HG1 VAL 40 41.687 38.723 39.692 288 HG12 VAL 40 2HG1 VAL 40 42.478 40.025 38.735 289 HG13 VAL 40 3HG1 VAL 40 41.762 38.537 38.006 290 HG21 VAL 40 1HG2 VAL 40 42.719 36.536 39.440 291 HG22 VAL 40 2HG2 VAL 40 44.470 36.414 39.887 292 HG23 VAL 40 3HG2 VAL 40 43.270 37.204 40.953 293 H ILE 41 H ILE 41 45.478 40.583 38.090 294 HA ILE 41 HA ILE 41 44.152 42.064 35.996 295 HB ILE 41 HB ILE 41 46.562 42.643 37.661 296 HG12 ILE 41 2HG1 ILE 41 43.738 43.772 38.038 297 HG13 ILE 41 1HG1 ILE 41 44.459 42.511 39.029 298 HG21 ILE 41 1HG2 ILE 41 45.428 44.152 35.413 299 HG22 ILE 41 2HG2 ILE 41 46.106 45.052 36.793 300 HG23 ILE 41 3HG2 ILE 41 47.096 43.835 35.964 301 HD11 ILE 41 HD1 ILE 41 44.900 44.499 40.131 302 HD12 ILE 41 HD2 ILE 41 46.502 44.102 39.498 303 HD13 ILE 41 HD3 ILE 41 45.530 45.298 38.648 304 H ALA 42 H ALA 42 47.248 40.288 35.979 305 HA ALA 42 HA ALA 42 48.189 41.302 33.441 306 HB1 ALA 42 HB1 ALA 42 48.577 38.610 34.902 307 HB2 ALA 42 HB2 ALA 42 49.314 39.034 33.398 308 HB3 ALA 42 HB3 ALA 42 49.591 40.001 34.921 309 H THR 43 H THR 43 46.150 38.712 34.426 310 HA THR 43 HA THR 43 46.011 37.226 31.938 311 HB THR 43 HB THR 43 44.366 36.747 34.370 312 HG1 THR 43 HG1 THR 43 46.390 36.421 34.808 313 HG21 THR 43 1HG2 THR 43 44.006 34.618 33.476 314 HG22 THR 43 2HG2 THR 43 43.271 35.948 32.580 315 HG23 THR 43 3HG2 THR 43 44.663 35.202 31.849 316 H VAL 44 H VAL 44 43.688 39.203 33.776 317 HA VAL 44 HA VAL 44 41.722 39.729 31.808 318 HB VAL 44 HB VAL 44 43.065 41.085 34.269 319 HG11 VAL 44 1HG1 VAL 44 42.367 42.896 32.893 320 HG12 VAL 44 2HG1 VAL 44 40.764 42.284 32.649 321 HG13 VAL 44 3HG1 VAL 44 41.210 42.787 34.232 322 HG21 VAL 44 1HG2 VAL 44 41.700 39.120 34.728 323 HG22 VAL 44 2HG2 VAL 44 41.014 40.590 35.411 324 HG23 VAL 44 3HG2 VAL 44 40.333 39.889 33.940 325 H ILE 45 H ILE 45 44.657 41.788 32.266 326 HA ILE 45 HA ILE 45 44.241 43.382 30.199 327 HB ILE 45 HB ILE 45 46.567 42.478 31.750 328 HG12 ILE 45 2HG1 ILE 45 45.359 45.189 31.347 329 HG13 ILE 45 1HG1 ILE 45 44.661 44.178 32.487 330 HG21 ILE 45 1HG2 ILE 45 47.757 44.571 30.358 331 HG22 ILE 45 2HG2 ILE 45 47.838 42.986 29.529 332 HG23 ILE 45 3HG2 ILE 45 46.651 44.241 29.145 333 HD11 ILE 45 HD1 ILE 45 47.127 44.041 33.542 334 HD12 ILE 45 HD2 ILE 45 47.580 45.400 32.512 335 HD13 ILE 45 HD3 ILE 45 46.205 45.589 33.703 336 H VAL 46 H VAL 46 46.239 40.322 30.066 337 HA VAL 46 HA VAL 46 46.424 40.720 27.106 338 HB VAL 46 HB VAL 46 48.234 39.556 28.801 339 HG11 VAL 46 1HG1 VAL 46 48.004 37.037 28.698 340 HG12 VAL 46 2HG1 VAL 46 46.898 37.817 29.859 341 HG13 VAL 46 3HG1 VAL 46 46.341 37.270 28.264 342 HG21 VAL 46 1HG2 VAL 46 47.820 38.230 26.146 343 HG22 VAL 46 2HG2 VAL 46 48.327 39.865 26.248 344 HG23 VAL 46 3HG2 VAL 46 49.268 38.495 27.084 345 H ILE 47 H ILE 47 44.038 39.109 28.877 346 HA ILE 47 HA ILE 47 42.931 37.917 26.400 347 HB ILE 47 HB ILE 47 41.828 38.714 29.136 348 HG12 ILE 47 2HG1 ILE 47 42.312 36.124 27.652 349 HG13 ILE 47 1HG1 ILE 47 43.320 36.878 28.960 350 HG21 ILE 47 1HG2 ILE 47 39.673 37.599 28.621 351 HG22 ILE 47 2HG2 ILE 47 39.903 38.982 27.651 352 HG23 ILE 47 3HG2 ILE 47 40.177 37.383 26.910 353 HD11 ILE 47 HD1 ILE 47 40.663 35.443 29.357 354 HD12 ILE 47 HD2 ILE 47 42.260 35.109 29.976 355 HD13 ILE 47 HD3 ILE 47 41.347 36.478 30.579 356 H THR 48 H THR 48 42.544 40.998 27.995 357 HA THR 48 HA THR 48 40.561 42.018 26.204 358 HB THR 48 HB THR 48 42.383 43.655 27.959 359 HG1 THR 48 HG1 THR 48 41.047 42.459 29.135 360 HG21 THR 48 1HG2 THR 48 41.644 45.207 26.553 361 HG22 THR 48 2HG2 THR 48 40.065 44.458 26.171 362 HG23 THR 48 3HG2 THR 48 40.359 45.193 27.786 363 H LEU 49 H LEU 49 43.910 42.622 26.176 364 HA LEU 49 HA LEU 49 44.171 44.008 23.685 365 HB2 LEU 49 HB2 LEU 49 46.101 42.215 25.200 366 HB3 LEU 49 HB1 LEU 49 46.585 43.280 23.828 367 HG LEU 49 HG LEU 49 45.658 44.221 26.546 368 HD11 LEU 49 1HD1 LEU 49 47.916 45.216 26.725 369 HD12 LEU 49 2HD1 LEU 49 47.810 43.447 26.759 370 HD13 LEU 49 3HD1 LEU 49 48.441 44.330 25.334 371 HD21 LEU 49 1HD2 LEU 49 44.678 45.504 25.039 372 HD22 LEU 49 2HD2 LEU 49 46.044 46.497 25.608 373 HD23 LEU 49 3HD2 LEU 49 46.130 45.636 24.018 374 H VAL 50 H VAL 50 43.690 40.438 24.010 375 HA VAL 50 HA VAL 50 43.993 39.993 21.211 376 HB VAL 50 HB VAL 50 43.040 38.484 23.587 377 HG11 VAL 50 1HG1 VAL 50 42.519 36.467 22.324 378 HG12 VAL 50 2HG1 VAL 50 41.298 37.630 22.099 379 HG13 VAL 50 3HG1 VAL 50 42.505 37.376 20.688 380 HG21 VAL 50 1HG2 VAL 50 44.792 37.216 23.398 381 HG22 VAL 50 2HG2 VAL 50 44.691 37.293 21.611 382 HG23 VAL 50 3HG2 VAL 50 45.413 38.601 22.555 383 H MET 51 H MET 51 41.227 39.877 23.447 384 HA MET 51 HA MET 51 38.913 39.765 21.932 385 HB2 MET 51 HB2 MET 51 39.138 39.749 24.354 386 HB3 MET 51 HB1 MET 51 39.479 41.506 24.336 387 HG2 MET 51 HG2 MET 51 37.176 41.987 23.680 388 HG3 MET 51 HG1 MET 51 36.895 40.269 23.497 389 HE1 MET 51 HE1 MET 51 36.077 42.993 25.377 390 HE2 MET 51 HE2 MET 51 36.738 42.922 27.073 391 HE3 MET 51 HE3 MET 51 37.697 43.274 25.584 392 H LEU 52 H LEU 52 40.584 42.909 22.565 393 HA LEU 52 HA LEU 52 38.506 44.297 21.038 394 HB2 LEU 52 HB2 LEU 52 40.668 45.438 22.677 395 HB3 LEU 52 HB1 LEU 52 39.400 46.343 21.769 396 HG LEU 52 HG LEU 52 38.942 44.363 24.045 397 HD11 LEU 52 1HD1 LEU 52 40.141 46.380 24.530 398 HD12 LEU 52 2HD1 LEU 52 38.756 47.394 23.783 399 HD13 LEU 52 3HD1 LEU 52 38.521 46.450 25.285 400 HD21 LEU 52 1HD2 LEU 52 37.098 44.395 22.577 401 HD22 LEU 52 2HD2 LEU 52 36.669 45.372 24.015 402 HD23 LEU 52 3HD2 LEU 52 37.045 46.238 22.519 403 H LYS 53 H LYS 53 41.381 42.824 19.852 404 HA LYS 53 HA LYS 53 42.574 45.061 18.650 405 HB2 LYS 53 HB2 LYS 53 43.638 42.900 19.241 406 HB3 LYS 53 HB1 LYS 53 42.542 42.084 18.126 407 HG2 LYS 53 HG2 LYS 53 43.558 43.214 16.143 408 HG3 LYS 53 HG1 LYS 53 44.575 44.267 17.088 409 HD2 LYS 53 HD2 LYS 53 45.672 42.361 18.192 410 HD3 LYS 53 HD1 LYS 53 44.900 41.285 16.997 411 HE2 LYS 53 HE2 LYS 53 46.614 43.627 16.298 412 HE3 LYS 53 HE1 LYS 53 47.323 42.032 16.469 413 HZ1 LYS 53 HZ1 LYS 53 45.428 41.355 14.795 414 HZ2 LYS 53 HZ2 LYS 53 45.419 42.767 14.353 415 HZ3 LYS 53 HZ3 LYS 53 46.817 41.969 14.185 416 H LYS 54 H LYS 54 42.206 46.115 16.794 417 HA LYS 54 HA LYS 54 39.870 45.766 15.100 418 HB2 LYS 54 HB2 LYS 54 42.086 47.754 15.449 419 HB3 LYS 54 HB1 LYS 54 41.179 47.859 13.983 420 HG2 LYS 54 HG2 LYS 54 39.038 48.374 15.369 421 HG3 LYS 54 HG1 LYS 54 39.717 47.893 16.757 422 HD2 LYS 54 HD2 LYS 54 41.394 49.476 16.754 423 HD3 LYS 54 HD1 LYS 54 40.659 50.386 15.427 424 HE2 LYS 54 HE2 LYS 54 38.488 50.119 16.557 425 HE3 LYS 54 HE1 LYS 54 39.445 49.616 18.044 426 HZ1 LYS 54 HZ1 LYS 54 39.629 52.195 16.687 427 HZ2 LYS 54 HZ2 LYS 54 38.694 51.951 18.007 428 HZ3 LYS 54 HZ3 LYS 54 40.305 51.728 18.147 429 H LYS 55 H LYS 55 40.161 45.899 12.608 430 HA LYS 55 HA LYS 55 41.699 43.607 11.842 431 HB2 LYS 55 HB2 LYS 55 39.822 45.413 10.394 432 HB3 LYS 55 HB1 LYS 55 40.827 44.186 9.565 433 HG2 LYS 55 HG2 LYS 55 39.489 42.509 11.189 434 HG3 LYS 55 HG1 LYS 55 38.619 43.879 11.819 435 HD2 LYS 55 HD2 LYS 55 37.740 44.412 9.444 436 HD3 LYS 55 HD1 LYS 55 38.522 42.939 8.997 437 HE2 LYS 55 HE2 LYS 55 37.309 41.698 10.599 438 HE3 LYS 55 HE1 LYS 55 36.236 43.064 10.998 439 HZ1 LYS 55 HZ1 LYS 55 36.426 41.777 8.284 440 HZ2 LYS 55 HZ2 LYS 55 35.107 42.030 9.251 441 HZ3 LYS 55 HZ3 LYS 55 35.766 43.267 8.522 442 H1 DAR 101 H1 DAR 101 54.847 48.606 63.416 443 H2 DAR 101 H2 DAR 101 55.827 47.368 62.886 444 H3 DAR 101 H3 DAR 101 54.453 47.715 62.088 445 HA DAR 101 HA DAR 101 53.538 46.143 63.144 446 HB2 DAR 101 HB2 DAR 101 52.236 46.818 65.039 447 HB3 DAR 101 HB1 DAR 101 53.026 48.377 65.195 448 HG2 DAR 101 HG2 DAR 101 52.392 48.682 62.613 449 HG3 DAR 101 HG1 DAR 101 51.280 47.342 63.005 450 HD2 DAR 101 HD2 DAR 101 50.255 49.439 62.964 451 HD3 DAR 101 HD1 DAR 101 50.275 48.709 64.580 452 HE DAR 101 HE DAR 101 52.427 50.594 64.201 453 HH11 DAR 101 1HH2 DAR 101 49.050 50.671 64.691 454 HH12 DAR 101 2HH2 DAR 101 48.992 52.296 65.403 455 HH21 DAR 101 1HH1 DAR 101 52.348 52.675 65.071 456 HH22 DAR 101 2HH1 DAR 101 50.745 53.246 65.596 457 HA DPR 102 HA DPR 102 55.533 44.900 67.337 458 HB2 DPR 102 HB2 DPR 102 57.336 46.598 68.629 459 HB3 DPR 102 HB1 DPR 102 55.511 46.587 68.721 460 HG2 DPR 102 HG2 DPR 102 57.390 48.081 66.887 461 HG3 DPR 102 HG1 DPR 102 56.111 48.776 68.010 462 HD2 DPR 102 HD2 DPR 102 55.714 48.614 65.396 463 HD3 DPR 102 HD1 DPR 102 54.498 48.303 66.645 464 H DAR 103 H DAR 103 57.608 43.866 67.856 465 HA DAR 103 HA DAR 103 59.352 43.296 65.609 466 HB2 DAR 103 HB2 DAR 103 59.024 41.369 66.818 467 HB3 DAR 103 HB1 DAR 103 60.636 41.787 67.205 468 HG2 DAR 103 HG2 DAR 103 59.795 42.805 69.360 469 HG3 DAR 103 HG1 DAR 103 58.234 42.114 69.025 470 HD2 DAR 103 HD2 DAR 103 59.218 39.821 68.780 471 HD3 DAR 103 HD1 DAR 103 60.701 40.585 69.666 472 HE DAR 103 HE DAR 103 58.245 41.145 70.908 473 HH11 DAR 103 1HH2 DAR 103 57.514 40.150 72.568 474 HH12 DAR 103 2HH2 DAR 103 57.821 38.438 72.911 475 HH21 DAR 103 1HH1 DAR 103 60.095 38.055 70.486 476 HH22 DAR 103 2HH1 DAR 103 59.366 37.373 71.871 477 H 2TL 104 H 2TL 104 59.852 45.334 65.061 478 HA 2TL 104 HA 2TL 104 61.672 46.870 66.711 479 HB 2TL 104 HB 2TL 104 61.722 48.556 65.196 480 HG1 2TL 104 HG1 2TL 104 59.893 48.169 66.539 481 HG21 2TL 104 1HG2 2TL 104 61.701 47.536 63.111 482 HG22 2TL 104 2HG2 2TL 104 60.156 46.720 63.419 483 HG23 2TL 104 3HG2 2TL 104 60.154 48.487 63.077 484 H DAR 105 H DAR 105 62.660 44.311 65.446 485 HA DAR 105 HA DAR 105 65.489 45.133 65.253 486 HB2 DAR 105 HB2 DAR 105 65.772 43.189 63.675 487 HB3 DAR 105 HB1 DAR 105 63.965 42.955 63.749 488 HG2 DAR 105 HG2 DAR 105 63.766 45.316 62.826 489 HG3 DAR 105 HG1 DAR 105 65.490 45.274 62.395 490 HD2 DAR 105 HD2 DAR 105 64.971 43.163 61.169 491 HD3 DAR 105 HD1 DAR 105 63.272 43.335 61.454 492 HE DAR 105 HE DAR 105 63.331 45.444 60.214 493 HH11 DAR 105 1HH2 DAR 105 63.690 46.436 58.417 494 HH12 DAR 105 2HH2 DAR 105 65.316 46.321 57.697 495 HH21 DAR 105 1HH1 DAR 105 66.381 43.892 59.787 496 HH22 DAR 105 2HH1 DAR 105 66.793 45.100 58.457 497 H DLE 106 H DLE 106 63.404 44.067 67.230 498 HA DLE 106 HA DLE 106 63.094 42.706 68.850 499 HB2 DLE 106 HB2 DLE 106 66.161 42.567 68.941 500 HB3 DLE 106 HB1 DLE 106 65.215 43.965 69.451 501 HG DLE 106 HG DLE 106 64.656 41.210 70.452 502 HD11 DLE 106 1HD1 DLE 106 66.528 43.339 71.560 503 HD12 DLE 106 2HD1 DLE 106 66.152 41.802 72.400 504 HD13 DLE 106 3HD1 DLE 106 67.090 41.721 70.915 505 HD21 DLE 106 1HD2 DLE 106 64.160 43.943 71.703 506 HD22 DLE 106 2HD2 DLE 106 62.886 42.795 71.328 507 HD23 DLE 106 3HD2 DLE 106 63.922 42.465 72.613 508 H DHI 107 H DHI 107 65.508 40.943 67.015 509 HA DHI 107 HA DHI 107 64.335 38.275 67.581 510 HB2 DHI 107 HB2 DHI 107 66.277 39.138 65.497 511 HB3 DHI 107 HB1 DHI 107 66.769 38.403 67.078 512 HD2 DHI 107 HD2 DHI 107 66.027 37.313 63.645 513 HE1 DHI 107 HE1 DHI 107 65.232 33.786 65.849 514 HE2 DHI 107 HE2 DHI 107 65.758 34.725 63.489 515 H 2TL 108 H 2TL 108 62.731 37.286 66.437 516 HA 2TL 108 HA 2TL 108 61.941 38.062 63.614 517 HB 2TL 108 HB 2TL 108 60.132 37.975 66.046 518 HG1 2TL 108 HG1 2TL 108 59.228 38.363 63.517 519 HG21 2TL 108 1HG2 2TL 108 59.536 40.129 65.154 520 HG22 2TL 108 2HG2 2TL 108 61.293 39.950 65.465 521 HG23 2TL 108 3HG2 2TL 108 60.655 40.083 63.866 522 H DHI 109 H DHI 109 60.616 36.443 62.518 523 HA DHI 109 HA DHI 109 61.053 33.711 63.348 524 HB2 DHI 109 HB2 DHI 109 62.086 34.752 60.750 525 HB3 DHI 109 HB1 DHI 109 63.207 34.674 62.125 526 HD2 DHI 109 HD2 DHI 109 61.859 32.826 59.273 527 HE1 DHI 109 HE1 DHI 109 63.369 29.749 61.764 528 HE2 DHI 109 HE2 DHI 109 62.668 30.417 59.365 529 H DAR 110 H DAR 110 59.274 35.693 61.030 530 HA DAR 110 HA DAR 110 57.485 33.309 60.560 531 HB2 DAR 110 HB2 DAR 110 58.820 34.919 58.356 532 HB3 DAR 110 HB1 DAR 110 59.192 33.305 58.919 533 HG2 DAR 110 HG2 DAR 110 56.974 32.527 58.381 534 HG3 DAR 110 HG1 DAR 110 56.612 34.049 57.624 535 HD2 DAR 110 HD2 DAR 110 58.915 32.587 56.481 536 HD3 DAR 110 HD1 DAR 110 57.332 31.905 56.125 537 HE DAR 110 HE DAR 110 57.284 34.794 55.570 538 HH11 DAR 110 1HH2 DAR 110 58.877 35.207 52.739 539 HH12 DAR 110 2HH2 DAR 110 57.870 35.899 54.025 540 HH21 DAR 110 1HH1 DAR 110 59.339 32.205 54.218 541 HH22 DAR 110 2HH1 DAR 110 59.264 32.983 52.684 542 H DSG 111 H DSG 111 58.158 36.725 60.335 543 HA DSG 111 HA DSG 111 56.880 38.597 60.426 544 HB2 DSG 111 HB2 DSG 111 54.612 37.291 61.640 545 HB3 DSG 111 HB1 DSG 111 56.105 37.132 62.525 546 HD21 DSG 111 1HD2 DSG 111 57.308 39.405 62.525 547 HD22 DSG 111 2HD2 DSG 111 56.287 40.599 63.307 548 H DAR 112 H DAR 112 56.516 36.811 58.101 549 HA DAR 112 HA DAR 112 54.289 38.006 56.717 550 HB2 DAR 112 HB2 DAR 112 54.468 34.907 57.047 551 HB3 DAR 112 HB1 DAR 112 53.376 36.060 57.745 552 HG2 DAR 112 HG2 DAR 112 52.413 36.693 55.648 553 HG3 DAR 112 HG1 DAR 112 53.609 35.719 54.763 554 HD2 DAR 112 HD2 DAR 112 52.696 33.715 56.266 555 HD3 DAR 112 HD1 DAR 112 51.463 34.870 56.853 556 HE DAR 112 HE DAR 112 51.552 34.273 53.962 557 HH11 DAR 112 1HH2 DAR 112 49.785 35.028 56.841 558 HH12 DAR 112 2HH2 DAR 112 48.321 34.227 56.190 559 HH21 DAR 112 1HH1 DAR 112 49.442 33.568 53.139 560 HH22 DAR 112 2HH1 DAR 112 48.112 34.048 54.121 Start of MODEL 5 1 H1 ASP 1 H1 ASP 1 61.462 33.502 56.404 2 H2 ASP 1 H2 ASP 1 62.990 32.788 56.402 3 H3 ASP 1 H3 ASP 1 62.526 33.574 57.620 4 HA ASP 1 HA ASP 1 62.864 34.803 54.888 5 HB2 ASP 1 HB2 ASP 1 62.416 36.071 57.747 6 HB3 ASP 1 HB1 ASP 1 63.014 36.931 56.282 7 H ALA 2 H ALA 2 64.416 34.330 58.091 8 HA ALA 2 HA ALA 2 66.896 35.585 57.411 9 HB1 ALA 2 HB1 ALA 2 67.392 35.052 59.774 10 HB2 ALA 2 HB2 ALA 2 65.767 35.270 59.671 11 HB3 ALA 2 HB3 ALA 2 66.350 33.577 59.661 12 H GLU 3 H GLU 3 65.827 32.446 56.392 13 HA GLU 3 HA GLU 3 68.502 31.330 56.056 14 HB2 GLU 3 HB2 GLU 3 67.336 29.512 55.286 15 HB3 GLU 3 HB1 GLU 3 66.370 30.087 56.710 16 HG2 GLU 3 HG2 GLU 3 65.606 30.736 53.887 17 HG3 GLU 3 HG1 GLU 3 64.999 29.304 54.814 18 H PHE 4 H PHE 4 66.665 33.753 54.613 19 HA PHE 4 HA PHE 4 67.880 33.238 51.950 20 HB2 PHE 4 HB2 PHE 4 65.293 32.772 51.938 21 HB3 PHE 4 HB1 PHE 4 65.137 34.502 52.402 22 HD1 PHE 4 HD1 PHE 4 64.261 35.796 50.584 23 HD2 PHE 4 HD2 PHE 4 67.316 32.759 49.890 24 HE1 PHE 4 HE1 PHE 4 64.051 36.139 48.216 25 HE2 PHE 4 HE2 PHE 4 67.150 33.169 47.488 26 HZ PHE 4 HZ PHE 4 65.824 35.052 46.681 27 H ARG 5 H ARG 5 66.648 35.587 54.187 28 HA ARG 5 HA ARG 5 67.785 37.934 52.881 29 HB2 ARG 5 HB2 ARG 5 66.390 37.450 55.620 30 HB3 ARG 5 HB1 ARG 5 67.016 38.944 55.028 31 HG2 ARG 5 HG2 ARG 5 65.479 38.839 52.993 32 HG3 ARG 5 HG1 ARG 5 64.791 37.353 53.701 33 HD2 ARG 5 HD2 ARG 5 64.206 38.654 55.740 34 HD3 ARG 5 HD1 ARG 5 64.918 40.011 55.165 35 HE ARG 5 HE ARG 5 62.533 38.768 53.692 36 HH11 ARG 5 1HH1 ARG 5 64.682 41.331 53.699 37 HH12 ARG 5 2HH1 ARG 5 63.552 42.417 52.872 38 HH21 ARG 5 1HH2 ARG 5 61.036 40.016 52.831 39 HH22 ARG 5 2HH2 ARG 5 61.660 41.571 52.219 40 H HIS 6 H HIS 6 69.204 39.422 53.862 41 HA HIS 6 HA HIS 6 71.551 38.077 55.167 42 HB2 HIS 6 HB2 HIS 6 71.085 40.863 54.233 43 HB3 HIS 6 HB1 HIS 6 72.714 40.217 54.629 44 HD2 HIS 6 HD2 HIS 6 71.872 37.420 52.829 45 HE1 HIS 6 HE1 HIS 6 72.462 40.106 49.677 46 HE2 HIS 6 HE2 HIS 6 72.112 37.765 50.213 47 H ASP 7 H ASP 7 68.863 39.728 56.271 48 HA ASP 7 HA ASP 7 69.368 41.520 58.111 49 HB2 ASP 7 HB2 ASP 7 67.416 39.198 58.367 50 HB3 ASP 7 HB1 ASP 7 67.445 40.468 59.399 51 H SER 8 H SER 8 69.765 37.981 58.964 52 HA SER 8 HA SER 8 70.063 38.624 61.780 53 HB2 SER 8 HB2 SER 8 69.887 36.463 62.269 54 HB3 SER 8 HB1 SER 8 68.681 36.764 61.114 55 HG SER 8 HG SER 8 70.388 35.885 59.515 56 H GLY 9 H GLY 9 72.275 38.410 58.988 57 HA2 GLY 9 HA2 GLY 9 74.645 37.830 60.643 58 HA3 GLY 9 HA1 GLY 9 74.458 38.514 58.909 59 H TYR 10 H TYR 10 72.740 40.540 60.624 60 HA TYR 10 HA TYR 10 74.882 42.533 61.177 61 HB2 TYR 10 HB2 TYR 10 71.850 42.852 60.669 62 HB3 TYR 10 HB1 TYR 10 72.830 43.985 61.484 63 HD1 TYR 10 HD1 TYR 10 72.267 41.908 58.570 64 HD2 TYR 10 HD2 TYR 10 74.089 45.523 59.941 65 HE1 TYR 10 HE1 TYR 10 72.179 42.744 56.285 66 HE2 TYR 10 HE2 TYR 10 73.963 46.406 57.620 67 HH TYR 10 HH TYR 10 73.613 45.983 55.417 68 H GLU 11 H GLU 11 73.563 43.924 63.226 69 HA GLU 11 HA GLU 11 74.213 42.001 65.327 70 HB2 GLU 11 HB2 GLU 11 73.879 44.985 65.363 71 HB3 GLU 11 HB1 GLU 11 74.356 44.174 66.822 72 HG2 GLU 11 HG2 GLU 11 76.101 44.469 64.292 73 HG3 GLU 11 HG1 GLU 11 76.459 44.987 65.896 74 H VAL 12 H VAL 12 72.970 42.434 67.516 75 HA VAL 12 HA VAL 12 70.910 40.791 67.411 76 HB VAL 12 HB VAL 12 72.383 41.119 69.182 77 HG11 VAL 12 1HG1 VAL 12 70.974 43.701 69.708 78 HG12 VAL 12 2HG1 VAL 12 71.473 42.716 71.067 79 HG13 VAL 12 3HG1 VAL 12 72.684 43.155 69.855 80 HG21 VAL 12 1HG2 VAL 12 69.435 41.402 70.156 81 HG22 VAL 12 2HG2 VAL 12 70.271 39.787 69.624 82 HG23 VAL 12 3HG2 VAL 12 70.805 40.539 70.965 83 H HIS 13 H HIS 13 70.494 44.361 67.378 84 HA HIS 13 HA HIS 13 67.730 44.331 67.758 85 HB2 HIS 13 HB2 HIS 13 69.088 46.368 67.891 86 HB3 HIS 13 HB1 HIS 13 69.410 46.521 66.199 87 HD2 HIS 13 HD2 HIS 13 67.592 46.936 64.423 88 HE1 HIS 13 HE1 HIS 13 64.795 48.792 67.025 89 HE2 HIS 13 HE2 HIS 13 65.502 48.525 64.627 90 H HIS 14 H HIS 14 69.451 43.812 64.645 91 HA HIS 14 HA HIS 14 66.758 43.504 63.196 92 HB2 HIS 14 HB2 HIS 14 69.659 43.234 62.243 93 HB3 HIS 14 HB1 HIS 14 68.186 43.151 61.268 94 HD2 HIS 14 HD2 HIS 14 66.627 45.349 61.108 95 HE1 HIS 14 HE1 HIS 14 69.432 48.248 62.203 96 HE2 HIS 14 HE2 HIS 14 67.155 47.874 61.441 97 H GLN 15 H GLN 15 68.878 41.481 64.935 98 HA GLN 15 HA GLN 15 67.727 38.984 63.870 99 HB2 GLN 15 HB2 GLN 15 69.042 39.312 66.511 100 HB3 GLN 15 HB1 GLN 15 69.089 37.935 65.343 101 HG2 GLN 15 HG2 GLN 15 70.569 39.389 63.904 102 HG3 GLN 15 HG1 GLN 15 70.600 40.596 65.261 103 HE21 GLN 15 1HE2 GLN 15 73.195 39.689 64.639 104 HE22 GLN 15 2HE2 GLN 15 73.650 38.701 66.058 105 H LYS 16 H LYS 16 67.212 40.876 66.728 106 HA LYS 16 HA LYS 16 64.918 39.526 67.814 107 HB2 LYS 16 HB2 LYS 16 65.823 42.357 67.921 108 HB3 LYS 16 HB1 LYS 16 64.366 41.744 68.699 109 HG2 LYS 16 HG2 LYS 16 65.668 40.058 69.851 110 HG3 LYS 16 HG1 LYS 16 67.152 40.663 69.230 111 HD2 LYS 16 HD2 LYS 16 66.998 41.745 71.281 112 HD3 LYS 16 HD1 LYS 16 66.769 42.945 70.036 113 HE2 LYS 16 HE2 LYS 16 64.395 42.963 70.298 114 HE3 LYS 16 HE1 LYS 16 64.491 41.753 71.620 115 HZ1 LYS 16 HZ1 LYS 16 65.352 43.238 73.123 116 HZ2 LYS 16 HZ2 LYS 16 65.758 44.354 71.961 117 HZ3 LYS 16 HZ3 LYS 16 64.247 44.159 72.278 118 H LEU 17 H LEU 17 65.088 42.232 65.507 119 HA LEU 17 HA LEU 17 62.307 42.154 64.835 120 HB2 LEU 17 HB2 LEU 17 64.783 43.475 63.469 121 HB3 LEU 17 HB1 LEU 17 63.150 43.525 62.784 122 HG LEU 17 HG LEU 17 63.645 44.396 65.541 123 HD11 LEU 17 1HD1 LEU 17 63.366 46.042 62.918 124 HD12 LEU 17 2HD1 LEU 17 63.227 46.724 64.512 125 HD13 LEU 17 3HD1 LEU 17 64.774 46.037 64.062 126 HD21 LEU 17 1HD2 LEU 17 61.306 44.561 63.577 127 HD22 LEU 17 2HD2 LEU 17 61.348 43.956 65.246 128 HD23 LEU 17 3HD2 LEU 17 61.378 45.698 64.972 129 H VAL 18 H VAL 18 64.946 40.288 62.995 130 HA VAL 18 HA VAL 18 62.788 39.635 61.087 131 HB VAL 18 HB VAL 18 65.198 39.672 60.551 132 HG11 VAL 18 1HG1 VAL 18 66.530 37.498 60.733 133 HG12 VAL 18 2HG1 VAL 18 66.426 38.442 62.236 134 HG13 VAL 18 3HG1 VAL 18 65.502 36.945 62.017 135 HG21 VAL 18 1HG2 VAL 18 63.225 38.135 59.417 136 HG22 VAL 18 2HG2 VAL 18 64.880 37.847 58.826 137 HG23 VAL 18 3HG2 VAL 18 64.208 36.818 60.013 138 H PHE 19 H PHE 19 64.026 38.076 64.098 139 HA PHE 19 HA PHE 19 62.170 35.968 63.647 140 HB2 PHE 19 HB2 PHE 19 63.214 37.172 66.163 141 HB3 PHE 19 HB1 PHE 19 62.538 35.598 66.142 142 HD1 PHE 19 HD1 PHE 19 64.698 35.446 63.167 143 HD2 PHE 19 HD2 PHE 19 64.945 35.979 67.404 144 HE1 PHE 19 HE1 PHE 19 66.985 34.776 63.086 145 HE2 PHE 19 HE2 PHE 19 67.219 35.258 67.398 146 HZ PHE 19 HZ PHE 19 68.361 34.655 65.257 147 H PHE 20 H PHE 20 61.462 39.169 64.793 148 HA PHE 20 HA PHE 20 58.765 38.488 65.515 149 HB2 PHE 20 HB2 PHE 20 60.017 40.282 66.347 150 HB3 PHE 20 HB1 PHE 20 59.869 41.283 64.871 151 HD1 PHE 20 HD1 PHE 20 57.686 41.800 63.703 152 HD2 PHE 20 HD2 PHE 20 57.979 40.513 67.841 153 HE1 PHE 20 HE1 PHE 20 55.727 42.995 64.283 154 HE2 PHE 20 HE2 PHE 20 55.781 41.549 68.194 155 HZ PHE 20 HZ PHE 20 54.658 42.908 66.455 156 H ALA 21 H ALA 21 60.352 39.694 62.552 157 HA ALA 21 HA ALA 21 57.917 40.156 61.224 158 HB1 ALA 21 HB1 ALA 21 60.674 40.135 59.967 159 HB2 ALA 21 HB2 ALA 21 59.209 40.653 59.158 160 HB3 ALA 21 HB3 ALA 21 59.830 41.396 60.714 161 H GLU 22 H GLU 22 59.920 37.242 61.625 162 HA GLU 22 HA GLU 22 58.906 35.805 59.426 163 HB2 GLU 22 HB2 GLU 22 60.264 34.965 61.977 164 HB3 GLU 22 HB1 GLU 22 59.584 33.878 60.748 165 HG2 GLU 22 HG2 GLU 22 60.931 35.166 58.940 166 HG3 GLU 22 HG1 GLU 22 61.715 35.963 60.222 167 H ASP 23 H ASP 23 57.631 36.621 62.499 168 HA ASP 23 HA ASP 23 56.015 34.157 62.627 169 HB2 ASP 23 HB2 ASP 23 57.573 34.541 64.527 170 HB3 ASP 23 HB1 ASP 23 56.744 36.016 64.923 171 H VAL 24 H VAL 24 55.666 37.499 61.781 172 HA VAL 24 HA VAL 24 53.220 37.933 63.193 173 HB VAL 24 HB VAL 24 54.991 39.551 62.678 174 HG11 VAL 24 1HG1 VAL 24 53.514 39.843 60.100 175 HG12 VAL 24 2HG1 VAL 24 54.780 40.883 60.744 176 HG13 VAL 24 3HG1 VAL 24 55.199 39.196 60.228 177 HG21 VAL 24 1HG2 VAL 24 52.874 40.540 63.696 178 HG22 VAL 24 2HG2 VAL 24 53.323 41.375 62.318 179 HG23 VAL 24 3HG2 VAL 24 52.014 40.010 62.307 180 H GLY 25 H GLY 25 53.959 36.627 60.025 181 HA2 GLY 25 HA2 GLY 25 52.522 35.517 58.441 182 HA3 GLY 25 HA1 GLY 25 51.239 35.997 59.611 183 H SER 26 H SER 26 51.089 38.567 59.634 184 HA SER 26 HA SER 26 49.593 39.230 57.424 185 HB2 SER 26 HB2 SER 26 49.656 41.660 58.131 186 HB3 SER 26 HB1 SER 26 49.193 40.347 59.303 187 HG SER 26 HG SER 26 50.487 41.615 60.377 188 H ASN 27 H ASN 27 52.886 39.878 57.689 189 HA ASN 27 HA ASN 27 53.093 41.534 55.183 190 HB2 ASN 27 HB2 ASN 27 55.482 41.177 55.426 191 HB3 ASN 27 HB1 ASN 27 54.826 41.696 56.911 192 HD21 ASN 27 1HD2 ASN 27 57.170 40.689 57.332 193 HD22 ASN 27 2HD2 ASN 27 57.045 39.120 58.093 194 H LYS 28 H LYS 28 53.512 38.097 55.696 195 HA LYS 28 HA LYS 28 54.023 37.636 52.917 196 HB2 LYS 28 HB2 LYS 28 53.088 35.562 55.006 197 HB3 LYS 28 HB1 LYS 28 53.859 35.320 53.420 198 HG2 LYS 28 HG2 LYS 28 55.842 36.373 54.145 199 HG3 LYS 28 HG1 LYS 28 55.188 36.454 55.842 200 HD2 LYS 28 HD2 LYS 28 54.978 34.211 56.186 201 HD3 LYS 28 HD1 LYS 28 55.342 33.841 54.455 202 HE2 LYS 28 HE2 LYS 28 57.141 33.220 55.773 203 HE3 LYS 28 HE1 LYS 28 57.535 34.408 54.565 204 HZ1 LYS 28 HZ1 LYS 28 58.582 35.074 56.698 205 HZ2 LYS 28 HZ2 LYS 28 57.469 36.135 56.126 206 HZ3 LYS 28 HZ3 LYS 28 57.069 35.259 57.335 207 H GLY 29 H GLY 29 51.063 37.595 55.012 208 HA2 GLY 29 HA2 GLY 29 49.112 36.741 53.291 209 HA3 GLY 29 HA1 GLY 29 48.954 37.980 54.591 210 H ALA 30 H ALA 30 50.458 39.954 53.687 211 HA ALA 30 HA ALA 30 48.736 41.229 51.639 212 HB1 ALA 30 HB1 ALA 30 51.140 42.587 53.150 213 HB2 ALA 30 HB2 ALA 30 49.931 43.330 52.374 214 HB3 ALA 30 HB3 ALA 30 49.416 42.333 53.779 215 H ILE 31 H ILE 31 52.158 40.015 51.748 216 HA ILE 31 HA ILE 31 52.913 40.847 49.155 217 HB ILE 31 HB ILE 31 53.783 38.742 51.040 218 HG12 ILE 31 2HG1 ILE 31 55.154 41.107 49.715 219 HG13 ILE 31 1HG1 ILE 31 54.264 41.126 51.267 220 HG21 ILE 31 1HG2 ILE 31 54.021 37.501 48.818 221 HG22 ILE 31 2HG2 ILE 31 54.955 38.787 48.183 222 HG23 ILE 31 3HG2 ILE 31 55.574 37.910 49.565 223 HD11 ILE 31 HD1 ILE 31 56.488 41.097 51.550 224 HD12 ILE 31 HD2 ILE 31 55.709 39.552 52.244 225 HD13 ILE 31 HD3 ILE 31 56.681 39.478 50.834 226 H ILE 32 H ILE 32 51.203 37.898 50.131 227 HA ILE 32 HA ILE 32 51.036 36.979 47.500 228 HB ILE 32 HB ILE 32 49.740 36.169 50.088 229 HG12 ILE 32 2HG1 ILE 32 51.994 34.649 48.508 230 HG13 ILE 32 1HG1 ILE 32 52.357 35.738 49.838 231 HG21 ILE 32 1HG2 ILE 32 48.906 34.145 49.188 232 HG22 ILE 32 2HG2 ILE 32 48.262 35.397 48.189 233 HG23 ILE 32 3HG2 ILE 32 49.668 34.420 47.572 234 HD11 ILE 32 HD1 ILE 32 50.490 33.415 50.234 235 HD12 ILE 32 HD2 ILE 32 52.227 33.147 50.165 236 HD13 ILE 32 HD3 ILE 32 51.594 34.356 51.347 237 H GLY 33 H GLY 33 48.664 38.761 49.529 238 HA2 GLY 33 HA2 GLY 33 46.524 38.393 47.692 239 HA3 GLY 33 HA1 GLY 33 46.708 39.748 48.919 240 H LEU 34 H LEU 34 48.807 40.925 48.024 241 HA LEU 34 HA LEU 34 48.117 42.675 45.790 242 HB2 LEU 34 HB2 LEU 34 50.948 42.335 47.083 243 HB3 LEU 34 HB1 LEU 34 50.532 43.555 45.923 244 HG LEU 34 HG LEU 34 49.013 43.388 48.593 245 HD11 LEU 34 1HD1 LEU 34 51.734 44.825 47.945 246 HD12 LEU 34 2HD1 LEU 34 50.682 44.927 49.450 247 HD13 LEU 34 3HD1 LEU 34 51.420 43.460 49.033 248 HD21 LEU 34 1HD2 LEU 34 49.490 45.862 46.822 249 HD22 LEU 34 2HD2 LEU 34 47.992 44.908 46.803 250 HD23 LEU 34 3HD2 LEU 34 48.461 45.612 48.294 251 H MET 35 H MET 35 50.787 40.114 45.927 252 HA MET 35 HA MET 35 51.290 40.237 43.222 253 HB2 MET 35 HB2 MET 35 52.838 39.159 44.878 254 HB3 MET 35 HB1 MET 35 51.762 37.775 44.970 255 HG2 MET 35 HG2 MET 35 52.583 38.509 42.135 256 HG3 MET 35 HG1 MET 35 53.755 37.693 43.178 257 HE1 MET 35 HE1 MET 35 51.905 35.524 44.600 258 HE2 MET 35 HE2 MET 35 51.978 34.289 43.399 259 HE3 MET 35 HE3 MET 35 53.411 35.355 43.735 260 H VAL 36 H VAL 36 48.943 37.925 44.785 261 HA VAL 36 HA VAL 36 48.115 36.681 42.235 262 HB VAL 36 HB VAL 36 46.738 36.776 44.925 263 HG11 VAL 36 1HG1 VAL 36 46.121 34.857 42.589 264 HG12 VAL 36 2HG1 VAL 36 45.546 34.791 44.279 265 HG13 VAL 36 3HG1 VAL 36 45.128 36.187 43.325 266 HG21 VAL 36 1HG2 VAL 36 47.866 34.641 45.250 267 HG22 VAL 36 2HG2 VAL 36 48.703 34.679 43.717 268 HG23 VAL 36 3HG2 VAL 36 49.040 35.917 45.024 269 H GLY 37 H GLY 37 46.956 39.464 43.917 270 HA2 GLY 37 HA2 GLY 37 44.674 40.152 42.455 271 HA3 GLY 37 HA1 GLY 37 45.774 41.283 43.249 272 H GLY 38 H GLY 38 48.153 40.924 41.890 273 HA2 GLY 38 HA2 GLY 38 47.718 42.197 39.367 274 HA3 GLY 38 HA1 GLY 38 49.281 41.516 39.772 275 H VAL 39 H VAL 39 48.144 38.729 40.205 276 HA VAL 39 HA VAL 39 48.623 37.864 37.470 277 HB VAL 39 HB VAL 39 47.281 36.450 39.871 278 HG11 VAL 39 1HG1 VAL 39 47.496 34.344 38.752 279 HG12 VAL 39 2HG1 VAL 39 46.409 35.377 37.731 280 HG13 VAL 39 3HG1 VAL 39 48.069 35.248 37.257 281 HG21 VAL 39 1HG2 VAL 39 49.740 36.902 40.080 282 HG22 VAL 39 2HG2 VAL 39 49.409 35.183 39.994 283 HG23 VAL 39 3HG2 VAL 39 50.099 36.097 38.609 284 H VAL 40 H VAL 40 45.491 38.410 39.302 285 HA VAL 40 HA VAL 40 43.714 37.760 37.228 286 HB VAL 40 HB VAL 40 43.497 39.585 39.547 287 HG11 VAL 40 1HG1 VAL 40 41.888 40.464 38.095 288 HG12 VAL 40 2HG1 VAL 40 41.392 38.750 37.639 289 HG13 VAL 40 3HG1 VAL 40 41.033 39.281 39.206 290 HG21 VAL 40 1HG2 VAL 40 42.141 37.826 40.370 291 HG22 VAL 40 2HG2 VAL 40 42.260 36.767 38.940 292 HG23 VAL 40 3HG2 VAL 40 43.633 37.003 40.100 293 H ILE 41 H ILE 41 45.090 41.037 38.170 294 HA ILE 41 HA ILE 41 43.687 42.493 36.239 295 HB ILE 41 HB ILE 41 46.332 43.023 37.725 296 HG12 ILE 41 2HG1 ILE 41 43.387 43.917 38.295 297 HG13 ILE 41 1HG1 ILE 41 44.181 42.638 39.118 298 HG21 ILE 41 1HG2 ILE 41 44.725 44.718 35.948 299 HG22 ILE 41 2HG2 ILE 41 45.883 45.530 37.116 300 HG23 ILE 41 3HG2 ILE 41 46.512 44.434 36.002 301 HD11 ILE 41 HD1 ILE 41 45.111 45.576 39.281 302 HD12 ILE 41 HD2 ILE 41 44.528 44.493 40.495 303 HD13 ILE 41 HD3 ILE 41 46.054 44.125 39.861 304 H ALA 42 H ALA 42 46.838 40.823 36.140 305 HA ALA 42 HA ALA 42 47.617 41.605 33.428 306 HB1 ALA 42 HB1 ALA 42 49.149 39.826 33.672 307 HB2 ALA 42 HB2 ALA 42 49.068 40.504 35.278 308 HB3 ALA 42 HB3 ALA 42 48.208 38.972 34.875 309 H THR 43 H THR 43 45.843 38.864 34.802 310 HA THR 43 HA THR 43 45.227 37.802 32.227 311 HB THR 43 HB THR 43 43.391 37.623 34.710 312 HG1 THR 43 HG1 THR 43 45.407 36.914 35.352 313 HG21 THR 43 1HG2 THR 43 43.940 35.301 32.836 314 HG22 THR 43 2HG2 THR 43 42.640 35.529 34.127 315 HG23 THR 43 3HG2 THR 43 42.699 36.456 32.538 316 H VAL 44 H VAL 44 43.144 40.114 34.035 317 HA VAL 44 HA VAL 44 41.240 40.470 31.916 318 HB VAL 44 HB VAL 44 42.455 42.617 33.815 319 HG11 VAL 44 1HG1 VAL 44 39.666 42.555 32.530 320 HG12 VAL 44 2HG1 VAL 44 40.537 44.011 33.181 321 HG13 VAL 44 3HG1 VAL 44 41.117 43.289 31.745 322 HG21 VAL 44 1HG2 VAL 44 39.754 41.255 34.383 323 HG22 VAL 44 2HG2 VAL 44 41.229 40.842 35.197 324 HG23 VAL 44 3HG2 VAL 44 40.534 42.519 35.354 325 H ILE 45 H ILE 45 44.404 41.854 32.086 326 HA ILE 45 HA ILE 45 44.113 43.567 29.731 327 HB ILE 45 HB ILE 45 46.479 42.942 31.527 328 HG12 ILE 45 2HG1 ILE 45 44.875 45.623 31.312 329 HG13 ILE 45 1HG1 ILE 45 44.410 44.278 32.291 330 HG21 ILE 45 1HG2 ILE 45 47.675 44.972 30.426 331 HG22 ILE 45 2HG2 ILE 45 47.358 43.642 29.324 332 HG23 ILE 45 3HG2 ILE 45 46.301 45.087 29.303 333 HD11 ILE 45 HD1 ILE 45 45.450 46.023 33.517 334 HD12 ILE 45 HD2 ILE 45 46.250 44.388 33.690 335 HD13 ILE 45 HD3 ILE 45 47.066 45.688 32.774 336 H VAL 46 H VAL 46 45.805 40.518 30.335 337 HA VAL 46 HA VAL 46 46.897 40.276 27.687 338 HB VAL 46 HB VAL 46 46.426 38.327 29.900 339 HG11 VAL 46 1HG1 VAL 46 48.193 36.846 28.845 340 HG12 VAL 46 2HG1 VAL 46 46.740 37.052 27.740 341 HG13 VAL 46 3HG1 VAL 46 48.143 37.990 27.471 342 HG21 VAL 46 1HG2 VAL 46 49.042 39.501 28.937 343 HG22 VAL 46 2HG2 VAL 46 48.146 40.196 30.327 344 HG23 VAL 46 3HG2 VAL 46 48.858 38.554 30.381 345 H ILE 47 H ILE 47 43.840 39.181 28.994 346 HA ILE 47 HA ILE 47 43.004 37.946 26.530 347 HB ILE 47 HB ILE 47 41.402 39.018 28.869 348 HG12 ILE 47 2HG1 ILE 47 42.315 36.293 27.963 349 HG13 ILE 47 1HG1 ILE 47 43.013 37.173 29.308 350 HG21 ILE 47 1HG2 ILE 47 40.485 37.297 26.491 351 HG22 ILE 47 2HG2 ILE 47 39.584 37.515 28.056 352 HG23 ILE 47 3HG2 ILE 47 39.931 38.899 26.840 353 HD11 ILE 47 HD1 ILE 47 41.651 35.792 30.508 354 HD12 ILE 47 HD2 ILE 47 40.939 37.392 30.505 355 HD13 ILE 47 HD3 ILE 47 40.226 36.133 29.548 356 H THR 48 H THR 48 42.566 41.312 27.804 357 HA THR 48 HA THR 48 40.794 42.123 25.816 358 HB THR 48 HB THR 48 42.836 43.613 27.506 359 HG1 THR 48 HG1 THR 48 41.491 42.742 28.584 360 HG21 THR 48 1HG2 THR 48 41.928 45.256 25.758 361 HG22 THR 48 2HG2 THR 48 40.238 44.667 25.983 362 HG23 THR 48 3HG2 THR 48 41.066 45.493 27.249 363 H LEU 49 H LEU 49 44.298 42.319 26.112 364 HA LEU 49 HA LEU 49 45.066 43.311 23.521 365 HB2 LEU 49 HB2 LEU 49 46.629 43.188 25.265 366 HB3 LEU 49 HB1 LEU 49 46.278 41.598 25.723 367 HG LEU 49 HG LEU 49 47.491 40.552 23.779 368 HD11 LEU 49 1HD1 LEU 49 47.251 42.245 21.963 369 HD12 LEU 49 2HD1 LEU 49 48.131 43.412 23.018 370 HD13 LEU 49 3HD1 LEU 49 48.931 42.016 22.313 371 HD21 LEU 49 1HD2 LEU 49 49.059 42.826 25.085 372 HD22 LEU 49 2HD2 LEU 49 48.775 41.348 25.914 373 HD23 LEU 49 3HD2 LEU 49 49.747 41.329 24.526 374 H VAL 50 H VAL 50 43.930 39.987 24.363 375 HA VAL 50 HA VAL 50 44.980 38.969 21.855 376 HB VAL 50 HB VAL 50 43.208 37.475 23.775 377 HG11 VAL 50 1HG1 VAL 50 43.378 35.530 22.329 378 HG12 VAL 50 2HG1 VAL 50 42.775 36.732 21.239 379 HG13 VAL 50 3HG1 VAL 50 44.498 36.472 21.233 380 HG21 VAL 50 1HG2 VAL 50 45.939 36.819 22.764 381 HG22 VAL 50 2HG2 VAL 50 45.834 38.019 24.053 382 HG23 VAL 50 3HG2 VAL 50 45.121 36.411 24.280 383 H MET 51 H MET 51 41.794 39.406 23.256 384 HA MET 51 HA MET 51 40.032 39.073 21.222 385 HB2 MET 51 HB2 MET 51 39.489 39.161 23.639 386 HB3 MET 51 HB1 MET 51 39.865 40.959 23.525 387 HG2 MET 51 HG2 MET 51 37.912 41.296 22.138 388 HG3 MET 51 HG1 MET 51 37.862 39.599 21.669 389 HE1 MET 51 HE1 MET 51 37.676 41.883 24.870 390 HE2 MET 51 HE2 MET 51 36.701 41.028 25.994 391 HE3 MET 51 HE3 MET 51 38.346 40.309 25.542 392 H LEU 52 H LEU 52 41.532 42.235 22.075 393 HA LEU 52 HA LEU 52 40.127 43.755 19.955 394 HB2 LEU 52 HB2 LEU 52 42.655 44.407 21.485 395 HB3 LEU 52 HB1 LEU 52 41.805 45.481 20.499 396 HG LEU 52 HG LEU 52 40.550 44.396 23.077 397 HD11 LEU 52 1HD1 LEU 52 42.352 46.018 23.502 398 HD12 LEU 52 2HD1 LEU 52 41.716 47.052 22.131 399 HD13 LEU 52 3HD1 LEU 52 40.870 46.987 23.622 400 HD21 LEU 52 1HD2 LEU 52 39.624 46.555 21.165 401 HD22 LEU 52 2HD2 LEU 52 38.846 44.997 21.266 402 HD23 LEU 52 3HD2 LEU 52 38.778 46.090 22.635 403 H LYS 53 H LYS 53 42.427 41.452 19.600 404 HA LYS 53 HA LYS 53 43.473 42.470 17.001 405 HB2 LYS 53 HB2 LYS 53 44.895 40.638 19.014 406 HB3 LYS 53 HB1 LYS 53 45.506 41.272 17.603 407 HG2 LYS 53 HG2 LYS 53 44.907 43.712 18.388 408 HG3 LYS 53 HG1 LYS 53 44.757 42.944 19.981 409 HD2 LYS 53 HD2 LYS 53 46.870 43.835 19.919 410 HD3 LYS 53 HD1 LYS 53 47.236 42.090 19.658 411 HE2 LYS 53 HE2 LYS 53 46.961 42.703 17.012 412 HE3 LYS 53 HE1 LYS 53 47.001 44.336 17.425 413 HZ1 LYS 53 HZ1 LYS 53 49.162 42.498 17.878 414 HZ2 LYS 53 HZ2 LYS 53 49.135 44.023 17.120 415 HZ3 LYS 53 HZ3 LYS 53 49.111 43.896 18.695 416 H LYS 54 H LYS 54 41.480 40.146 18.514 417 HA LYS 54 HA LYS 54 42.156 38.066 16.600 418 HB2 LYS 54 HB2 LYS 54 41.387 37.321 18.973 419 HB3 LYS 54 HB1 LYS 54 39.874 37.995 18.694 420 HG2 LYS 54 HG2 LYS 54 39.538 36.386 16.721 421 HG3 LYS 54 HG1 LYS 54 41.139 35.725 17.019 422 HD2 LYS 54 HD2 LYS 54 40.662 34.913 19.184 423 HD3 LYS 54 HD1 LYS 54 38.899 35.426 18.986 424 HE2 LYS 54 HE2 LYS 54 38.794 33.746 17.085 425 HE3 LYS 54 HE1 LYS 54 40.471 33.339 17.423 426 HZ1 LYS 54 HZ1 LYS 54 39.540 32.261 19.302 427 HZ2 LYS 54 HZ2 LYS 54 38.155 33.258 19.298 428 HZ3 LYS 54 HZ3 LYS 54 38.410 32.053 18.158 429 H LYS 55 H LYS 55 41.023 37.567 14.665 430 HA LYS 55 HA LYS 55 38.586 38.982 13.894 431 HB2 LYS 55 HB2 LYS 55 40.381 40.637 13.611 432 HB3 LYS 55 HB1 LYS 55 41.258 39.587 12.574 433 HG2 LYS 55 HG2 LYS 55 39.303 39.726 11.031 434 HG3 LYS 55 HG1 LYS 55 38.539 40.865 12.063 435 HD2 LYS 55 HD2 LYS 55 40.500 42.488 11.833 436 HD3 LYS 55 HD1 LYS 55 41.346 41.236 10.818 437 HE2 LYS 55 HE2 LYS 55 39.078 41.223 9.607 438 HE3 LYS 55 HE1 LYS 55 38.687 42.739 10.284 439 HZ1 LYS 55 HZ1 LYS 55 40.922 42.238 8.603 440 HZ2 LYS 55 HZ2 LYS 55 39.697 43.234 8.328 441 HZ3 LYS 55 HZ3 LYS 55 40.889 43.543 9.546 442 H1 DAR 101 H1 DAR 101 54.706 36.258 66.772 443 H2 DAR 101 H2 DAR 101 53.970 37.687 66.168 444 H3 DAR 101 H3 DAR 101 54.402 37.533 67.708 445 HA DAR 101 HA DAR 101 52.455 35.630 66.410 446 HB2 DAR 101 HB2 DAR 101 50.628 37.010 67.502 447 HB3 DAR 101 HB1 DAR 101 51.875 38.235 67.705 448 HG2 DAR 101 HG2 DAR 101 52.142 38.425 65.290 449 HG3 DAR 101 HG1 DAR 101 51.098 37.063 64.973 450 HD2 DAR 101 HD2 DAR 101 49.307 38.166 66.385 451 HD3 DAR 101 HD1 DAR 101 50.338 39.636 66.319 452 HE DAR 101 HE DAR 101 48.961 38.203 64.000 453 HH11 DAR 101 1HH2 DAR 101 50.700 41.114 65.056 454 HH12 DAR 101 2HH2 DAR 101 50.062 41.969 63.672 455 HH21 DAR 101 1HH1 DAR 101 48.197 39.602 62.354 456 HH22 DAR 101 2HH1 DAR 101 49.217 41.004 62.051 457 HA DPR 102 HA DPR 102 50.646 34.629 66.943 458 HB2 DPR 102 HB2 DPR 102 49.393 32.422 68.029 459 HB3 DPR 102 HB1 DPR 102 49.117 34.101 68.458 460 HG2 DPR 102 HG2 DPR 102 50.949 32.187 69.810 461 HG3 DPR 102 HG1 DPR 102 49.699 33.209 70.616 462 HD2 DPR 102 HD2 DPR 102 52.261 33.901 70.601 463 HD3 DPR 102 HD1 DPR 102 50.952 35.102 70.379 464 H DAR 103 H DAR 103 52.508 31.855 68.432 465 HA DAR 103 HA DAR 103 53.458 31.021 65.703 466 HB2 DAR 103 HB2 DAR 103 53.034 28.618 66.422 467 HB3 DAR 103 HB1 DAR 103 52.173 29.111 67.810 468 HG2 DAR 103 HG2 DAR 103 50.518 30.400 66.162 469 HG3 DAR 103 HG1 DAR 103 51.659 29.977 64.928 470 HD2 DAR 103 HD2 DAR 103 51.281 27.618 65.263 471 HD3 DAR 103 HD1 DAR 103 50.052 27.983 66.425 472 HE DAR 103 HE DAR 103 48.489 28.551 64.755 473 HH11 DAR 103 1HH2 DAR 103 47.541 28.259 62.926 474 HH12 DAR 103 2HH2 DAR 103 48.386 28.395 61.497 475 HH21 DAR 103 1HH1 DAR 103 51.532 28.321 62.965 476 HH22 DAR 103 2HH1 DAR 103 50.584 28.707 61.516 477 H 2TL 104 H 2TL 104 55.226 32.441 66.942 478 HA 2TL 104 HA 2TL 104 56.915 30.746 68.747 479 HB 2TL 104 HB 2TL 104 56.618 33.036 69.424 480 HG1 2TL 104 HG1 2TL 104 56.515 34.103 67.427 481 HG21 2TL 104 1HG2 2TL 104 58.658 32.255 70.222 482 HG22 2TL 104 2HG2 2TL 104 59.470 32.567 68.647 483 HG23 2TL 104 3HG2 2TL 104 58.760 33.935 69.671 484 H DAR 105 H DAR 105 56.824 31.894 65.535 485 HA DAR 105 HA DAR 105 59.214 30.214 64.827 486 HB2 DAR 105 HB2 DAR 105 59.731 31.488 62.910 487 HB3 DAR 105 HB1 DAR 105 58.196 32.412 63.008 488 HG2 DAR 105 HG2 DAR 105 59.766 33.954 63.991 489 HG3 DAR 105 HG1 DAR 105 59.287 33.292 65.447 490 HD2 DAR 105 HD2 DAR 105 61.508 33.297 65.835 491 HD3 DAR 105 HD1 DAR 105 61.091 31.635 65.384 492 HE DAR 105 HE DAR 105 61.999 33.043 63.077 493 HH11 DAR 105 1HH2 DAR 105 63.920 32.507 62.080 494 HH12 DAR 105 2HH2 DAR 105 65.081 31.570 62.967 495 HH21 DAR 105 1HH1 DAR 105 63.692 31.697 66.012 496 HH22 DAR 105 2HH1 DAR 105 65.075 31.417 65.044 497 H DLE 106 H DLE 106 55.865 31.234 63.904 498 HA DLE 106 HA DLE 106 55.585 29.430 61.688 499 HB2 DLE 106 HB2 DLE 106 53.266 30.218 61.850 500 HB3 DLE 106 HB1 DLE 106 53.577 31.175 63.270 501 HG DLE 106 HG DLE 106 55.183 32.599 61.990 502 HD11 DLE 106 1HD1 DLE 106 54.865 32.614 59.553 503 HD12 DLE 106 2HD1 DLE 106 55.718 31.183 60.296 504 HD13 DLE 106 3HD1 DLE 106 53.942 31.134 59.724 505 HD21 DLE 106 1HD2 DLE 106 53.443 33.825 61.047 506 HD22 DLE 106 2HD2 DLE 106 52.200 32.519 61.240 507 HD23 DLE 106 3HD2 DLE 106 52.857 33.340 62.599 508 H DHI 107 H DHI 107 56.263 27.565 63.452 509 HA DHI 107 HA DHI 107 53.912 26.384 64.489 510 HB2 DHI 107 HB2 DHI 107 55.247 27.393 66.114 511 HB3 DHI 107 HB1 DHI 107 54.916 25.656 66.507 512 HD2 DHI 107 HD2 DHI 107 57.702 28.152 65.982 513 HE1 DHI 107 HE1 DHI 107 59.722 24.474 66.303 514 HE2 DHI 107 HE2 DHI 107 59.998 26.881 66.034 515 H 2TL 108 H 2TL 108 53.816 24.019 64.463 516 HA 2TL 108 HA 2TL 108 54.445 23.037 61.969 517 HB 2TL 108 HB 2TL 108 53.649 20.799 62.814 518 HG1 2TL 108 HG1 2TL 108 52.084 22.474 62.315 519 HG21 2TL 108 1HG2 2TL 108 54.623 20.988 65.068 520 HG22 2TL 108 2HG2 2TL 108 53.424 22.331 65.440 521 HG23 2TL 108 3HG2 2TL 108 52.965 20.587 65.197 522 H DHI 109 H DHI 109 56.439 22.916 64.828 523 HA DHI 109 HA DHI 109 57.860 20.571 63.917 524 HB2 DHI 109 HB2 DHI 109 59.267 20.572 65.617 525 HB3 DHI 109 HB1 DHI 109 59.136 22.190 66.118 526 HD2 DHI 109 HD2 DHI 109 57.032 22.839 67.563 527 HE1 DHI 109 HE1 DHI 109 54.930 19.126 67.664 528 HE2 DHI 109 HE2 DHI 109 54.970 21.499 68.515 529 H DAR 110 H DAR 110 58.287 23.975 63.196 530 HA DAR 110 HA DAR 110 60.853 23.503 61.715 531 HB2 DAR 110 HB2 DAR 110 59.010 25.961 61.520 532 HB3 DAR 110 HB1 DAR 110 60.040 25.691 62.974 533 HG2 DAR 110 HG2 DAR 110 61.914 25.109 61.388 534 HG3 DAR 110 HG1 DAR 110 60.895 25.943 60.163 535 HD2 DAR 110 HD2 DAR 110 61.694 27.265 62.787 536 HD3 DAR 110 HD1 DAR 110 62.758 27.342 61.292 537 HE DAR 110 HE DAR 110 60.195 28.026 60.572 538 HH11 DAR 110 1HH2 DAR 110 59.617 29.765 59.921 539 HH12 DAR 110 2HH2 DAR 110 60.633 31.186 60.169 540 HH21 DAR 110 1HH1 DAR 110 63.010 29.581 61.779 541 HH22 DAR 110 2HH1 DAR 110 62.539 31.168 61.212 542 H DSG 111 H DSG 111 57.649 22.563 61.101 543 HA DSG 111 HA DSG 111 58.040 22.676 58.228 544 HB2 DSG 111 HB2 DSG 111 55.476 23.046 58.006 545 HB3 DSG 111 HB1 DSG 111 55.445 22.903 59.757 546 HD21 DSG 111 1HD2 DSG 111 56.301 24.901 60.967 547 HD22 DSG 111 2HD2 DSG 111 56.617 26.312 60.009 548 H DAR 112 H DAR 112 59.092 20.427 59.823 549 HA DAR 112 HA DAR 112 56.991 18.578 60.024 550 HB2 DAR 112 HB2 DAR 112 58.913 16.794 60.231 551 HB3 DAR 112 HB1 DAR 112 60.051 18.085 59.855 552 HG2 DAR 112 HG2 DAR 112 58.799 19.278 61.836 553 HG3 DAR 112 HG1 DAR 112 58.371 17.510 62.172 554 HD2 DAR 112 HD2 DAR 112 60.621 16.879 62.401 555 HD3 DAR 112 HD1 DAR 112 61.287 18.406 62.023 556 HE DAR 112 HE DAR 112 61.151 19.086 64.112 557 HH11 DAR 112 1HH2 DAR 112 58.649 16.455 64.056 558 HH12 DAR 112 2HH2 DAR 112 58.753 16.365 65.758 559 HH21 DAR 112 1HH1 DAR 112 61.082 18.812 66.278 560 HH22 DAR 112 2HH1 DAR 112 59.784 17.923 66.914 Start of MODEL 6 1 H1 ASP 1 H1 ASP 1 71.849 57.768 56.307 2 H2 ASP 1 H2 ASP 1 71.156 56.275 56.213 3 H3 ASP 1 H3 ASP 1 70.476 57.418 55.486 4 HA ASP 1 HA ASP 1 69.198 56.863 57.382 5 HB2 ASP 1 HB2 ASP 1 71.407 57.942 59.163 6 HB3 ASP 1 HB1 ASP 1 69.784 57.228 59.653 7 H ALA 2 H ALA 2 71.198 59.662 57.044 8 HA ALA 2 HA ALA 2 69.266 61.416 57.978 9 HB1 ALA 2 HB1 ALA 2 71.837 61.977 56.449 10 HB2 ALA 2 HB2 ALA 2 70.807 63.239 57.123 11 HB3 ALA 2 HB3 ALA 2 71.529 62.109 58.194 12 H GLU 3 H GLU 3 69.018 59.672 55.191 13 HA GLU 3 HA GLU 3 67.716 61.775 53.561 14 HB2 GLU 3 HB2 GLU 3 68.801 61.083 51.613 15 HB3 GLU 3 HB1 GLU 3 70.092 61.112 52.830 16 HG2 GLU 3 HG2 GLU 3 68.677 58.541 52.012 17 HG3 GLU 3 HG1 GLU 3 70.197 58.959 51.475 18 H PHE 4 H PHE 4 66.766 59.459 55.532 19 HA PHE 4 HA PHE 4 65.068 57.708 53.714 20 HB2 PHE 4 HB2 PHE 4 65.185 58.046 56.709 21 HB3 PHE 4 HB1 PHE 4 64.300 56.750 56.052 22 HD1 PHE 4 HD1 PHE 4 67.389 56.813 54.162 23 HD2 PHE 4 HD2 PHE 4 65.935 56.075 58.102 24 HE1 PHE 4 HE1 PHE 4 69.241 55.129 54.520 25 HE2 PHE 4 HE2 PHE 4 67.613 54.356 58.384 26 HZ PHE 4 HZ PHE 4 69.248 53.944 56.542 27 H ARG 5 H ARG 5 63.237 58.798 52.931 28 HA ARG 5 HA ARG 5 62.395 61.410 54.036 29 HB2 ARG 5 HB2 ARG 5 61.535 59.926 51.591 30 HB3 ARG 5 HB1 ARG 5 61.129 61.616 52.120 31 HG2 ARG 5 HG2 ARG 5 63.684 62.142 51.920 32 HG3 ARG 5 HG1 ARG 5 63.892 60.468 51.121 33 HD2 ARG 5 HD2 ARG 5 64.085 62.134 49.492 34 HD3 ARG 5 HD1 ARG 5 62.509 61.189 49.208 35 HE ARG 5 HE ARG 5 63.053 63.922 50.043 36 HH11 ARG 5 1HH1 ARG 5 61.439 65.565 49.792 37 HH12 ARG 5 2HH1 ARG 5 59.799 64.860 49.947 38 HH21 ARG 5 1HH2 ARG 5 59.240 63.124 49.924 39 HH22 ARG 5 2HH2 ARG 5 60.243 61.737 49.611 40 H HIS 6 H HIS 6 60.685 61.770 54.886 41 HA HIS 6 HA HIS 6 59.095 61.633 56.560 42 HB2 HIS 6 HB2 HIS 6 57.511 60.085 54.512 43 HB3 HIS 6 HB1 HIS 6 56.990 61.072 55.885 44 HD2 HIS 6 HD2 HIS 6 58.077 61.452 52.200 45 HE1 HIS 6 HE1 HIS 6 57.425 65.405 53.411 46 HE2 HIS 6 HE2 HIS 6 58.122 63.945 51.526 47 H ASP 7 H ASP 7 60.961 59.106 56.442 48 HA ASP 7 HA ASP 7 59.447 57.315 58.052 49 HB2 ASP 7 HB2 ASP 7 61.203 56.934 56.363 50 HB3 ASP 7 HB1 ASP 7 62.444 57.473 57.567 51 H SER 8 H SER 8 59.185 57.615 60.330 52 HA SER 8 HA SER 8 61.398 58.657 62.181 53 HB2 SER 8 HB2 SER 8 59.380 60.104 61.937 54 HB3 SER 8 HB1 SER 8 58.267 58.849 62.477 55 HG SER 8 HG SER 8 60.449 60.178 63.811 56 H GLY 9 H GLY 9 61.544 57.613 64.012 57 HA2 GLY 9 HA2 GLY 9 61.207 55.872 65.619 58 HA3 GLY 9 HA1 GLY 9 60.012 55.220 64.555 59 H TYR 10 H TYR 10 62.565 55.704 62.626 60 HA TYR 10 HA TYR 10 62.230 52.933 61.683 61 HB2 TYR 10 HB2 TYR 10 63.731 53.727 59.964 62 HB3 TYR 10 HB1 TYR 10 62.879 55.087 60.445 63 HD1 TYR 10 HD1 TYR 10 63.519 57.017 61.270 64 HD2 TYR 10 HD2 TYR 10 66.323 53.855 60.430 65 HE1 TYR 10 HE1 TYR 10 65.552 58.565 61.393 66 HE2 TYR 10 HE2 TYR 10 68.195 55.472 60.810 67 HH TYR 10 HH TYR 10 67.759 58.855 61.448 68 H GLU 11 H GLU 11 64.578 53.843 64.013 69 HA GLU 11 HA GLU 11 66.077 51.196 63.644 70 HB2 GLU 11 HB2 GLU 11 66.536 53.390 65.796 71 HB3 GLU 11 HB1 GLU 11 67.658 52.016 65.503 72 HG2 GLU 11 HG2 GLU 11 66.936 54.515 63.768 73 HG3 GLU 11 HG1 GLU 11 68.418 54.101 64.662 74 H VAL 12 H VAL 12 63.211 51.795 64.977 75 HA VAL 12 HA VAL 12 63.284 49.579 66.973 76 HB VAL 12 HB VAL 12 63.792 51.312 68.517 77 HG11 VAL 12 1HG1 VAL 12 62.246 53.333 68.831 78 HG12 VAL 12 2HG1 VAL 12 63.093 53.299 67.202 79 HG13 VAL 12 3HG1 VAL 12 61.375 52.761 67.415 80 HG21 VAL 12 1HG2 VAL 12 61.902 49.467 68.779 81 HG22 VAL 12 2HG2 VAL 12 62.178 50.629 69.988 82 HG23 VAL 12 3HG2 VAL 12 60.783 50.790 68.883 83 H HIS 13 H HIS 13 61.249 51.775 64.961 84 HA HIS 13 HA HIS 13 58.808 50.644 65.863 85 HB2 HIS 13 HB2 HIS 13 58.788 52.923 65.283 86 HB3 HIS 13 HB1 HIS 13 59.476 52.532 63.698 87 HD2 HIS 13 HD2 HIS 13 57.392 51.068 61.989 88 HE1 HIS 13 HE1 HIS 13 54.094 52.534 64.067 89 HE2 HIS 13 HE2 HIS 13 54.917 51.104 62.185 90 H HIS 14 H HIS 14 60.859 49.730 63.402 91 HA HIS 14 HA HIS 14 59.184 48.325 61.578 92 HB2 HIS 14 HB2 HIS 14 61.247 47.242 60.868 93 HB3 HIS 14 HB1 HIS 14 61.446 48.908 60.870 94 HD2 HIS 14 HD2 HIS 14 63.468 46.202 61.721 95 HE1 HIS 14 HE1 HIS 14 64.696 49.009 64.674 96 HE2 HIS 14 HE2 HIS 14 65.122 46.636 63.738 97 H GLN 15 H GLN 15 60.719 47.328 64.344 98 HA GLN 15 HA GLN 15 60.174 44.522 64.347 99 HB2 GLN 15 HB2 GLN 15 60.402 46.465 66.642 100 HB3 GLN 15 HB1 GLN 15 60.468 44.674 66.884 101 HG2 GLN 15 HG2 GLN 15 62.446 44.564 65.702 102 HG3 GLN 15 HG1 GLN 15 62.454 46.235 65.289 103 HE21 GLN 15 1HE2 GLN 15 62.274 47.695 67.264 104 HE22 GLN 15 2HE2 GLN 15 63.145 47.376 68.683 105 H LYS 16 H LYS 16 57.982 47.198 65.305 106 HA LYS 16 HA LYS 16 56.032 45.550 66.689 107 HB2 LYS 16 HB2 LYS 16 55.822 48.138 65.217 108 HB3 LYS 16 HB1 LYS 16 54.589 47.559 66.443 109 HG2 LYS 16 HG2 LYS 16 56.166 47.601 68.164 110 HG3 LYS 16 HG1 LYS 16 57.450 48.120 67.086 111 HD2 LYS 16 HD2 LYS 16 56.646 50.141 66.665 112 HD3 LYS 16 HD1 LYS 16 54.999 49.912 67.215 113 HE2 LYS 16 HE2 LYS 16 56.092 49.340 69.642 114 HE3 LYS 16 HE1 LYS 16 57.556 49.998 68.889 115 HZ1 LYS 16 HZ1 LYS 16 55.000 51.420 69.377 116 HZ2 LYS 16 HZ2 LYS 16 56.534 51.710 69.980 117 HZ3 LYS 16 HZ3 LYS 16 56.200 52.090 68.466 118 H LEU 17 H LEU 17 56.519 46.248 63.330 119 HA LEU 17 HA LEU 17 54.004 45.154 62.388 120 HB2 LEU 17 HB2 LEU 17 56.712 45.713 61.046 121 HB3 LEU 17 HB1 LEU 17 55.335 45.275 60.150 122 HG LEU 17 HG LEU 17 54.457 47.672 60.131 123 HD11 LEU 17 1HD1 LEU 17 55.520 49.443 61.526 124 HD12 LEU 17 2HD1 LEU 17 54.655 48.254 62.569 125 HD13 LEU 17 3HD1 LEU 17 56.499 48.228 62.319 126 HD21 LEU 17 1HD2 LEU 17 56.415 48.716 59.307 127 HD22 LEU 17 2HD2 LEU 17 57.382 47.453 59.976 128 HD23 LEU 17 3HD2 LEU 17 56.204 47.028 58.785 129 H VAL 18 H VAL 18 57.180 43.884 63.249 130 HA VAL 18 HA VAL 18 56.435 41.328 62.037 131 HB VAL 18 HB VAL 18 58.789 42.034 63.630 132 HG11 VAL 18 1HG1 VAL 18 59.504 39.741 62.846 133 HG12 VAL 18 2HG1 VAL 18 58.269 39.734 64.023 134 HG13 VAL 18 3HG1 VAL 18 57.902 39.484 62.294 135 HG21 VAL 18 1HG2 VAL 18 59.327 42.899 61.780 136 HG22 VAL 18 2HG2 VAL 18 59.554 41.411 61.221 137 HG23 VAL 18 3HG2 VAL 18 58.027 42.055 60.720 138 H PHE 19 H PHE 19 56.644 42.719 65.457 139 HA PHE 19 HA PHE 19 55.732 40.392 66.725 140 HB2 PHE 19 HB2 PHE 19 54.992 43.287 67.354 141 HB3 PHE 19 HB1 PHE 19 55.018 42.066 68.558 142 HD1 PHE 19 HD1 PHE 19 56.685 44.720 68.420 143 HD2 PHE 19 HD2 PHE 19 57.564 40.524 67.804 144 HE1 PHE 19 HE1 PHE 19 58.782 45.012 69.313 145 HE2 PHE 19 HE2 PHE 19 59.780 40.981 68.758 146 HZ PHE 19 HZ PHE 19 60.425 42.981 69.756 147 H PHE 20 H PHE 20 53.720 42.802 65.135 148 HA PHE 20 HA PHE 20 51.151 41.647 65.590 149 HB2 PHE 20 HB2 PHE 20 51.407 43.993 64.589 150 HB3 PHE 20 HB1 PHE 20 52.011 43.142 63.092 151 HD1 PHE 20 HD1 PHE 20 50.299 42.641 61.367 152 HD2 PHE 20 HD2 PHE 20 49.112 42.862 65.454 153 HE1 PHE 20 HE1 PHE 20 47.978 42.639 60.658 154 HE2 PHE 20 HE2 PHE 20 46.778 42.838 64.785 155 HZ PHE 20 HZ PHE 20 46.177 42.547 62.429 156 H ALA 21 H ALA 21 52.976 41.301 62.664 157 HA ALA 21 HA ALA 21 51.172 39.402 61.611 158 HB1 ALA 21 HB1 ALA 21 53.920 40.194 60.588 159 HB2 ALA 21 HB2 ALA 21 52.880 39.259 59.650 160 HB3 ALA 21 HB3 ALA 21 52.302 40.917 60.114 161 H GLU 22 H GLU 22 54.166 38.786 63.294 162 HA GLU 22 HA GLU 22 54.366 36.003 62.524 163 HB2 GLU 22 HB2 GLU 22 55.367 37.673 64.989 164 HB3 GLU 22 HB1 GLU 22 55.518 35.860 64.813 165 HG2 GLU 22 HG2 GLU 22 56.727 37.702 62.943 166 HG3 GLU 22 HG1 GLU 22 57.551 37.043 64.393 167 H ASP 23 H ASP 23 52.133 37.586 64.845 168 HA ASP 23 HA ASP 23 51.086 34.880 65.354 169 HB2 ASP 23 HB2 ASP 23 51.281 36.523 67.122 170 HB3 ASP 23 HB1 ASP 23 50.306 37.754 66.166 171 H VAL 24 H VAL 24 49.894 37.951 63.857 172 HA VAL 24 HA VAL 24 47.623 36.646 62.530 173 HB VAL 24 HB VAL 24 48.437 39.606 62.226 174 HG11 VAL 24 1HG1 VAL 24 46.785 38.812 60.623 175 HG12 VAL 24 2HG1 VAL 24 45.844 38.255 62.160 176 HG13 VAL 24 3HG1 VAL 24 46.062 39.876 61.820 177 HG21 VAL 24 1HG2 VAL 24 47.152 38.300 64.570 178 HG22 VAL 24 2HG2 VAL 24 48.415 39.550 64.446 179 HG23 VAL 24 3HG2 VAL 24 46.851 39.984 64.242 180 H GLY 25 H GLY 25 49.168 35.209 61.564 181 HA2 GLY 25 HA2 GLY 25 50.994 35.654 59.448 182 HA3 GLY 25 HA1 GLY 25 50.061 34.117 59.834 183 H SER 26 H SER 26 47.529 35.910 59.446 184 HA SER 26 HA SER 26 46.962 35.408 56.600 185 HB2 SER 26 HB2 SER 26 44.768 36.478 57.240 186 HB3 SER 26 HB1 SER 26 45.330 35.232 58.325 187 HG SER 26 HG SER 26 45.799 36.823 59.877 188 H ASN 27 H ASN 27 47.902 38.291 58.756 189 HA ASN 27 HA ASN 27 47.782 40.180 56.526 190 HB2 ASN 27 HB2 ASN 27 47.381 40.868 58.840 191 HB3 ASN 27 HB1 ASN 27 48.943 40.304 59.336 192 HD21 ASN 27 1HD2 ASN 27 47.319 42.741 57.336 193 HD22 ASN 27 2HD2 ASN 27 48.792 43.837 57.319 194 H LYS 28 H LYS 28 50.250 38.003 58.098 195 HA LYS 28 HA LYS 28 52.380 38.864 56.406 196 HB2 LYS 28 HB2 LYS 28 52.281 37.295 58.443 197 HB3 LYS 28 HB1 LYS 28 52.229 35.994 57.219 198 HG2 LYS 28 HG2 LYS 28 54.191 36.892 56.151 199 HG3 LYS 28 HG1 LYS 28 54.337 38.147 57.309 200 HD2 LYS 28 HD2 LYS 28 54.596 36.342 59.232 201 HD3 LYS 28 HD1 LYS 28 54.878 35.261 57.876 202 HE2 LYS 28 HE2 LYS 28 56.731 37.087 57.290 203 HE3 LYS 28 HE1 LYS 28 56.294 37.881 58.684 204 HZ1 LYS 28 HZ1 LYS 28 56.944 35.726 59.973 205 HZ2 LYS 28 HZ2 LYS 28 57.522 35.050 58.571 206 HZ3 LYS 28 HZ3 LYS 28 58.245 36.371 59.147 207 H GLY 29 H GLY 29 49.486 36.925 55.594 208 HA2 GLY 29 HA2 GLY 29 50.434 35.672 53.274 209 HA3 GLY 29 HA1 GLY 29 48.805 35.840 53.955 210 H ALA 30 H ALA 30 49.187 38.900 53.886 211 HA ALA 30 HA ALA 30 47.733 39.630 51.495 212 HB1 ALA 30 HB1 ALA 30 48.052 41.918 52.429 213 HB2 ALA 30 HB2 ALA 30 47.347 40.632 53.652 214 HB3 ALA 30 HB3 ALA 30 49.087 41.194 53.787 215 H ILE 31 H ILE 31 51.374 39.936 52.247 216 HA ILE 31 HA ILE 31 51.767 41.233 49.794 217 HB ILE 31 HB ILE 31 53.355 41.016 51.683 218 HG12 ILE 31 2HG1 ILE 31 55.477 40.577 50.556 219 HG13 ILE 31 1HG1 ILE 31 54.630 39.854 49.198 220 HG21 ILE 31 1HG2 ILE 31 54.597 39.278 52.217 221 HG22 ILE 31 2HG2 ILE 31 53.002 38.655 52.237 222 HG23 ILE 31 3HG2 ILE 31 54.068 38.157 50.800 223 HD11 ILE 31 HD1 ILE 31 53.475 42.403 49.006 224 HD12 ILE 31 HD2 ILE 31 54.798 42.733 50.012 225 HD13 ILE 31 HD3 ILE 31 55.066 42.064 48.476 226 H ILE 32 H ILE 32 52.146 37.495 50.101 227 HA ILE 32 HA ILE 32 52.018 36.662 47.552 228 HB ILE 32 HB ILE 32 50.257 35.633 49.766 229 HG12 ILE 32 2HG1 ILE 32 52.957 34.558 48.957 230 HG13 ILE 32 1HG1 ILE 32 52.718 35.631 50.283 231 HG21 ILE 32 1HG2 ILE 32 49.264 35.010 47.591 232 HG22 ILE 32 2HG2 ILE 32 50.680 34.069 47.151 233 HG23 ILE 32 3HG2 ILE 32 49.623 33.799 48.635 234 HD11 ILE 32 HD1 ILE 32 50.881 33.861 51.307 235 HD12 ILE 32 HD2 ILE 32 51.250 33.015 49.815 236 HD13 ILE 32 HD3 ILE 32 52.434 33.072 51.010 237 H GLY 33 H GLY 33 49.019 37.566 49.190 238 HA2 GLY 33 HA2 GLY 33 47.043 37.700 47.121 239 HA3 GLY 33 HA1 GLY 33 47.220 38.721 48.522 240 H LEU 34 H LEU 34 49.277 40.175 48.080 241 HA LEU 34 HA LEU 34 48.215 42.286 46.461 242 HB2 LEU 34 HB2 LEU 34 49.441 42.827 48.469 243 HB3 LEU 34 HB1 LEU 34 50.780 42.010 47.885 244 HG LEU 34 HG LEU 34 51.056 43.593 46.021 245 HD11 LEU 34 1HD1 LEU 34 48.943 45.195 47.412 246 HD12 LEU 34 2HD1 LEU 34 49.778 45.748 46.081 247 HD13 LEU 34 3HD1 LEU 34 48.653 44.495 45.834 248 HD21 LEU 34 1HD2 LEU 34 52.238 43.951 47.984 249 HD22 LEU 34 2HD2 LEU 34 51.784 45.508 47.480 250 HD23 LEU 34 3HD2 LEU 34 50.851 44.741 48.766 251 H MET 35 H MET 35 50.423 39.524 45.812 252 HA MET 35 HA MET 35 51.443 40.791 43.270 253 HB2 MET 35 HB2 MET 35 52.889 39.195 44.838 254 HB3 MET 35 HB1 MET 35 51.870 37.910 44.266 255 HG2 MET 35 HG2 MET 35 53.448 39.867 42.530 256 HG3 MET 35 HG1 MET 35 54.103 38.490 43.261 257 HE1 MET 35 HE1 MET 35 52.387 35.574 40.844 258 HE2 MET 35 HE2 MET 35 53.392 35.885 42.251 259 HE3 MET 35 HE3 MET 35 51.752 36.060 42.449 260 H VAL 36 H VAL 36 49.194 38.279 44.473 261 HA VAL 36 HA VAL 36 48.236 37.301 41.943 262 HB VAL 36 HB VAL 36 46.892 37.197 44.770 263 HG11 VAL 36 1HG1 VAL 36 45.118 36.971 43.223 264 HG12 VAL 36 2HG1 VAL 36 46.056 35.941 42.101 265 HG13 VAL 36 3HG1 VAL 36 45.534 35.343 43.721 266 HG21 VAL 36 1HG2 VAL 36 47.784 34.920 44.729 267 HG22 VAL 36 2HG2 VAL 36 48.375 35.083 43.091 268 HG23 VAL 36 3HG2 VAL 36 49.071 35.908 44.434 269 H GLY 37 H GLY 37 47.265 39.974 43.921 270 HA2 GLY 37 HA2 GLY 37 44.928 40.796 42.344 271 HA3 GLY 37 HA1 GLY 37 46.064 41.751 43.243 272 H GLY 38 H GLY 38 48.537 41.607 41.901 273 HA2 GLY 38 HA2 GLY 38 48.104 42.900 39.309 274 HA3 GLY 38 HA1 GLY 38 49.534 42.203 39.983 275 H VAL 39 H VAL 39 48.594 39.325 39.995 276 HA VAL 39 HA VAL 39 48.715 38.656 37.190 277 HB VAL 39 HB VAL 39 47.724 36.759 39.429 278 HG11 VAL 39 1HG1 VAL 39 48.208 35.004 37.861 279 HG12 VAL 39 2HG1 VAL 39 47.103 36.198 37.241 280 HG13 VAL 39 3HG1 VAL 39 48.734 36.280 36.579 281 HG21 VAL 39 1HG2 VAL 39 49.790 35.995 39.893 282 HG22 VAL 39 2HG2 VAL 39 50.393 36.476 38.214 283 HG23 VAL 39 3HG2 VAL 39 50.182 37.727 39.558 284 H VAL 40 H VAL 40 45.857 39.027 39.445 285 HA VAL 40 HA VAL 40 44.065 38.230 37.298 286 HB VAL 40 HB VAL 40 43.488 39.731 39.850 287 HG11 VAL 40 1HG1 VAL 40 41.660 40.172 39.048 288 HG12 VAL 40 2HG1 VAL 40 41.638 39.178 37.644 289 HG13 VAL 40 3HG1 VAL 40 41.134 38.571 39.082 290 HG21 VAL 40 1HG2 VAL 40 42.552 37.486 40.600 291 HG22 VAL 40 2HG2 VAL 40 43.020 36.855 39.069 292 HG23 VAL 40 3HG2 VAL 40 44.191 37.418 40.190 293 H ILE 41 H ILE 41 45.344 41.471 38.175 294 HA ILE 41 HA ILE 41 43.648 42.787 36.287 295 HB ILE 41 HB ILE 41 46.141 43.613 37.734 296 HG12 ILE 41 2HG1 ILE 41 43.485 44.909 38.011 297 HG13 ILE 41 1HG1 ILE 41 43.850 43.606 39.105 298 HG21 ILE 41 1HG2 ILE 41 45.499 45.898 36.616 299 HG22 ILE 41 2HG2 ILE 41 46.345 44.876 35.663 300 HG23 ILE 41 3HG2 ILE 41 44.508 44.953 35.541 301 HD11 ILE 41 HD1 ILE 41 45.785 44.824 39.956 302 HD12 ILE 41 HD2 ILE 41 45.508 46.131 38.797 303 HD13 ILE 41 HD3 ILE 41 44.430 45.930 40.082 304 H ALA 42 H ALA 42 46.972 41.429 36.108 305 HA ALA 42 HA ALA 42 47.307 42.006 33.487 306 HB1 ALA 42 HB1 ALA 42 49.246 41.126 34.534 307 HB2 ALA 42 HB2 ALA 42 48.384 39.744 35.260 308 HB3 ALA 42 HB3 ALA 42 48.806 39.697 33.583 309 H THR 43 H THR 43 45.360 39.423 34.765 310 HA THR 43 HA THR 43 45.259 37.935 32.266 311 HB THR 43 HB THR 43 43.647 37.686 34.876 312 HG1 THR 43 HG1 THR 43 45.720 37.164 34.907 313 HG21 THR 43 1HG2 THR 43 42.796 35.563 33.998 314 HG22 THR 43 2HG2 THR 43 42.061 36.995 33.044 315 HG23 THR 43 3HG2 THR 43 43.400 35.967 32.389 316 H VAL 44 H VAL 44 43.096 40.350 33.768 317 HA VAL 44 HA VAL 44 41.186 40.441 31.555 318 HB VAL 44 HB VAL 44 42.040 42.685 33.450 319 HG11 VAL 44 1HG1 VAL 44 40.152 43.970 32.670 320 HG12 VAL 44 2HG1 VAL 44 40.464 43.189 31.095 321 HG13 VAL 44 3HG1 VAL 44 39.287 42.556 32.266 322 HG21 VAL 44 1HG2 VAL 44 40.252 42.161 34.793 323 HG22 VAL 44 2HG2 VAL 44 39.601 40.944 33.628 324 HG23 VAL 44 3HG2 VAL 44 41.111 40.595 34.491 325 H ILE 45 H ILE 45 44.238 42.223 32.129 326 HA ILE 45 HA ILE 45 44.366 43.470 29.701 327 HB ILE 45 HB ILE 45 46.535 42.540 31.470 328 HG12 ILE 45 2HG1 ILE 45 45.511 45.233 30.877 329 HG13 ILE 45 1HG1 ILE 45 44.758 44.266 32.244 330 HG21 ILE 45 1HG2 ILE 45 47.445 42.834 29.102 331 HG22 ILE 45 2HG2 ILE 45 46.562 44.488 29.106 332 HG23 ILE 45 3HG2 ILE 45 47.953 44.180 30.149 333 HD11 ILE 45 HD1 ILE 45 46.723 45.737 33.317 334 HD12 ILE 45 HD2 ILE 45 46.980 44.104 33.318 335 HD13 ILE 45 HD3 ILE 45 47.822 44.969 32.098 336 H VAL 46 H VAL 46 45.473 40.026 30.382 337 HA VAL 46 HA VAL 46 46.373 39.617 27.704 338 HB VAL 46 HB VAL 46 45.587 37.520 29.607 339 HG11 VAL 46 1HG1 VAL 46 45.457 36.526 27.398 340 HG12 VAL 46 2HG1 VAL 46 46.965 37.057 26.956 341 HG13 VAL 46 3HG1 VAL 46 46.883 35.984 28.313 342 HG21 VAL 46 1HG2 VAL 46 47.617 38.951 30.229 343 HG22 VAL 46 2HG2 VAL 46 47.831 37.271 30.147 344 HG23 VAL 46 3HG2 VAL 46 48.331 38.237 28.802 345 H ILE 47 H ILE 47 43.160 39.073 29.212 346 HA ILE 47 HA ILE 47 41.771 38.045 26.791 347 HB ILE 47 HB ILE 47 40.744 39.520 29.231 348 HG12 ILE 47 2HG1 ILE 47 40.579 36.448 28.658 349 HG13 ILE 47 1HG1 ILE 47 41.883 37.076 29.669 350 HG21 ILE 47 1HG2 ILE 47 38.582 38.694 28.701 351 HG22 ILE 47 2HG2 ILE 47 39.018 39.582 27.368 352 HG23 ILE 47 3HG2 ILE 47 39.062 37.794 27.298 353 HD11 ILE 47 HD1 ILE 47 40.344 37.990 31.420 354 HD12 ILE 47 HD2 ILE 47 39.117 37.096 30.468 355 HD13 ILE 47 HD3 ILE 47 40.461 36.274 31.032 356 H THR 48 H THR 48 42.530 41.373 27.834 357 HA THR 48 HA THR 48 40.973 42.523 25.715 358 HB THR 48 HB THR 48 43.116 43.725 27.402 359 HG1 THR 48 HG1 THR 48 41.118 43.157 28.481 360 HG21 THR 48 1HG2 THR 48 41.865 45.900 26.481 361 HG22 THR 48 2HG2 THR 48 42.965 45.132 25.399 362 HG23 THR 48 3HG2 THR 48 41.307 44.808 25.192 363 H LEU 49 H LEU 49 44.467 41.764 25.944 364 HA LEU 49 HA LEU 49 45.043 42.589 23.356 365 HB2 LEU 49 HB2 LEU 49 46.410 40.836 25.420 366 HB3 LEU 49 HB1 LEU 49 47.132 41.194 23.886 367 HG LEU 49 HG LEU 49 46.246 43.088 26.105 368 HD11 LEU 49 1HD1 LEU 49 48.388 41.846 26.684 369 HD12 LEU 49 2HD1 LEU 49 49.033 42.221 25.082 370 HD13 LEU 49 3HD1 LEU 49 48.794 43.445 26.491 371 HD21 LEU 49 1HD2 LEU 49 47.808 44.679 24.800 372 HD22 LEU 49 2HD2 LEU 49 47.491 43.578 23.441 373 HD23 LEU 49 3HD2 LEU 49 46.122 44.413 24.198 374 H VAL 50 H VAL 50 44.185 39.527 24.546 375 HA VAL 50 HA VAL 50 44.099 38.206 22.018 376 HB VAL 50 HB VAL 50 42.702 37.653 24.755 377 HG11 VAL 50 1HG1 VAL 50 41.227 36.891 22.889 378 HG12 VAL 50 2HG1 VAL 50 42.535 35.922 22.261 379 HG13 VAL 50 3HG1 VAL 50 41.918 35.555 23.760 380 HG21 VAL 50 1HG2 VAL 50 44.243 35.774 24.853 381 HG22 VAL 50 2HG2 VAL 50 44.863 35.974 23.200 382 HG23 VAL 50 3HG2 VAL 50 45.280 37.197 24.422 383 H MET 51 H MET 51 41.527 40.130 23.719 384 HA MET 51 HA MET 51 39.648 39.609 21.471 385 HB2 MET 51 HB2 MET 51 39.020 40.387 23.802 386 HB3 MET 51 HB1 MET 51 39.834 41.803 23.650 387 HG2 MET 51 HG2 MET 51 37.764 42.294 23.246 388 HG3 MET 51 HG1 MET 51 38.285 42.440 21.713 389 HE1 MET 51 HE1 MET 51 35.275 42.249 22.325 390 HE2 MET 51 HE2 MET 51 35.814 42.192 20.663 391 HE3 MET 51 HE3 MET 51 34.597 41.032 21.346 392 H LEU 52 H LEU 52 42.074 42.343 21.904 393 HA LEU 52 HA LEU 52 41.396 43.496 19.404 394 HB2 LEU 52 HB2 LEU 52 44.009 43.253 20.977 395 HB3 LEU 52 HB1 LEU 52 43.809 44.326 19.649 396 HG LEU 52 HG LEU 52 42.372 44.484 22.401 397 HD11 LEU 52 1HD1 LEU 52 44.718 45.139 22.542 398 HD12 LEU 52 2HD1 LEU 52 44.388 46.410 21.257 399 HD13 LEU 52 3HD1 LEU 52 43.741 46.502 22.886 400 HD21 LEU 52 1HD2 LEU 52 41.815 46.273 20.008 401 HD22 LEU 52 2HD2 LEU 52 40.802 45.126 20.763 402 HD23 LEU 52 3HD2 LEU 52 41.281 46.680 21.541 403 H LYS 53 H LYS 53 43.433 40.654 20.101 404 HA LYS 53 HA LYS 53 44.388 40.344 17.271 405 HB2 LYS 53 HB2 LYS 53 44.637 38.571 19.665 406 HB3 LYS 53 HB1 LYS 53 45.115 38.268 18.039 407 HG2 LYS 53 HG2 LYS 53 46.497 40.057 17.906 408 HG3 LYS 53 HG1 LYS 53 46.329 40.422 19.651 409 HD2 LYS 53 HD2 LYS 53 48.419 39.363 18.960 410 HD3 LYS 53 HD1 LYS 53 47.511 38.286 20.137 411 HE2 LYS 53 HE2 LYS 53 48.721 37.050 18.612 412 HE3 LYS 53 HE1 LYS 53 46.900 36.722 18.373 413 HZ1 LYS 53 HZ1 LYS 53 47.105 38.020 16.557 414 HZ2 LYS 53 HZ2 LYS 53 48.473 38.746 16.898 415 HZ3 LYS 53 HZ3 LYS 53 48.337 37.128 16.322 416 H LYS 54 H LYS 54 41.543 39.587 19.006 417 HA LYS 54 HA LYS 54 40.567 37.549 17.057 418 HB2 LYS 54 HB2 LYS 54 39.032 39.116 18.941 419 HB3 LYS 54 HB1 LYS 54 38.229 38.288 17.625 420 HG2 LYS 54 HG2 LYS 54 39.310 36.158 18.505 421 HG3 LYS 54 HG1 LYS 54 40.103 37.120 19.826 422 HD2 LYS 54 HD2 LYS 54 37.779 37.715 20.623 423 HD3 LYS 54 HD1 LYS 54 37.051 36.676 19.470 424 HE2 LYS 54 HE2 LYS 54 39.233 36.069 21.546 425 HE3 LYS 54 HE1 LYS 54 37.525 36.036 21.911 426 HZ1 LYS 54 HZ1 LYS 54 37.457 34.036 20.304 427 HZ2 LYS 54 HZ2 LYS 54 38.953 34.318 19.844 428 HZ3 LYS 54 HZ3 LYS 54 38.605 33.747 21.319 429 H LYS 55 H LYS 55 39.952 37.574 15.068 430 HA LYS 55 HA LYS 55 40.293 39.901 13.565 431 HB2 LYS 55 HB2 LYS 55 40.224 37.574 12.660 432 HB3 LYS 55 HB1 LYS 55 38.535 37.437 12.832 433 HG2 LYS 55 HG2 LYS 55 38.373 39.411 11.269 434 HG3 LYS 55 HG1 LYS 55 40.105 39.545 11.319 435 HD2 LYS 55 HD2 LYS 55 40.361 37.411 10.248 436 HD3 LYS 55 HD1 LYS 55 38.610 37.233 10.044 437 HE2 LYS 55 HE2 LYS 55 38.625 39.468 8.843 438 HE3 LYS 55 HE1 LYS 55 40.358 39.582 9.034 439 HZ1 LYS 55 HZ1 LYS 55 38.608 37.984 7.302 440 HZ2 LYS 55 HZ2 LYS 55 39.960 38.575 6.791 441 HZ3 LYS 55 HZ3 LYS 55 40.039 37.243 7.774 442 H1 DAR 101 H1 DAR 101 68.850 47.122 53.231 443 H2 DAR 101 H2 DAR 101 69.859 47.554 52.061 444 H3 DAR 101 H3 DAR 101 70.436 46.947 53.584 445 HA DAR 101 HA DAR 101 70.814 49.229 53.377 446 HB2 DAR 101 HB2 DAR 101 68.742 48.539 55.524 447 HB3 DAR 101 HB1 DAR 101 70.353 48.130 55.658 448 HG2 DAR 101 HG2 DAR 101 71.073 50.637 55.570 449 HG3 DAR 101 HG1 DAR 101 69.304 50.998 55.391 450 HD2 DAR 101 HD2 DAR 101 68.877 49.675 57.448 451 HD3 DAR 101 HD1 DAR 101 70.637 49.429 57.730 452 HE DAR 101 HE DAR 101 70.760 51.950 57.421 453 HH11 DAR 101 1HH2 DAR 101 68.615 50.092 59.563 454 HH12 DAR 101 2HH2 DAR 101 68.601 51.322 60.830 455 HH21 DAR 101 1HH1 DAR 101 70.481 53.594 59.014 456 HH22 DAR 101 2HH1 DAR 101 69.710 53.191 60.570 457 HA DPR 102 HA DPR 102 68.779 51.282 50.669 458 HB2 DPR 102 HB2 DPR 102 69.398 53.886 51.902 459 HB3 DPR 102 HB1 DPR 102 69.601 53.324 50.149 460 HG2 DPR 102 HG2 DPR 102 71.581 53.382 51.786 461 HG3 DPR 102 HG1 DPR 102 71.455 52.069 50.646 462 HD2 DPR 102 HD2 DPR 102 70.942 51.965 53.632 463 HD3 DPR 102 HD1 DPR 102 71.415 50.757 52.550 464 H DAR 103 H DAR 103 67.010 52.641 49.718 465 HA DAR 103 HA DAR 103 64.936 53.487 49.628 466 HB2 DAR 103 HB2 DAR 103 64.541 55.405 50.917 467 HB3 DAR 103 HB1 DAR 103 65.893 55.110 51.924 468 HG2 DAR 103 HG2 DAR 103 67.501 55.312 50.221 469 HG3 DAR 103 HG1 DAR 103 66.186 55.585 49.072 470 HD2 DAR 103 HD2 DAR 103 65.745 57.685 50.113 471 HD3 DAR 103 HD1 DAR 103 67.342 57.434 50.964 472 HE DAR 103 HE DAR 103 67.991 57.130 48.369 473 HH11 DAR 103 1HH2 DAR 103 68.193 58.640 46.824 474 HH12 DAR 103 2HH2 DAR 103 68.157 60.323 47.304 475 HH21 DAR 103 1HH1 DAR 103 66.497 59.824 50.264 476 HH22 DAR 103 2HH1 DAR 103 66.666 60.880 48.930 477 H 2TL 104 H 2TL 104 64.092 54.412 52.656 478 HA 2TL 104 HA 2TL 104 61.809 52.842 52.832 479 HB 2TL 104 HB 2TL 104 62.037 55.131 53.811 480 HG1 2TL 104 HG1 2TL 104 62.956 54.718 56.154 481 HG21 2TL 104 1HG2 2TL 104 60.376 54.595 55.389 482 HG22 2TL 104 2HG2 2TL 104 60.227 53.347 54.262 483 HG23 2TL 104 3HG2 2TL 104 61.105 53.071 55.827 484 H DAR 105 H DAR 105 65.187 51.932 54.092 485 HA DAR 105 HA DAR 105 64.037 50.171 56.099 486 HB2 DAR 105 HB2 DAR 105 66.350 49.309 56.416 487 HB3 DAR 105 HB1 DAR 105 66.814 50.338 55.077 488 HG2 DAR 105 HG2 DAR 105 67.323 51.285 57.242 489 HG3 DAR 105 HG1 DAR 105 66.194 52.402 56.455 490 HD2 DAR 105 HD2 DAR 105 65.109 50.206 58.212 491 HD3 DAR 105 HD1 DAR 105 65.812 51.706 59.040 492 HE DAR 105 HE DAR 105 64.171 52.979 57.569 493 HH11 DAR 105 1HH2 DAR 105 63.415 49.856 58.863 494 HH12 DAR 105 2HH2 DAR 105 61.807 50.308 59.204 495 HH21 DAR 105 1HH1 DAR 105 61.874 53.290 57.914 496 HH22 DAR 105 2HH1 DAR 105 60.973 52.062 58.732 497 H DLE 106 H DLE 106 65.444 49.888 52.823 498 HA DLE 106 HA DLE 106 65.067 47.158 52.388 499 HB2 DLE 106 HB2 DLE 106 65.306 49.391 50.309 500 HB3 DLE 106 HB1 DLE 106 66.635 48.439 50.979 501 HG DLE 106 HG DLE 106 64.328 47.325 49.357 502 HD11 DLE 106 1HD1 DLE 106 65.891 48.830 48.080 503 HD12 DLE 106 2HD1 DLE 106 67.334 47.804 48.558 504 HD13 DLE 106 3HD1 DLE 106 65.960 47.169 47.514 505 HD21 DLE 106 1HD2 DLE 106 66.873 45.838 49.971 506 HD22 DLE 106 2HD2 DLE 106 65.441 45.494 50.807 507 HD23 DLE 106 3HD2 DLE 106 65.630 45.237 48.950 508 H DHI 107 H DHI 107 62.997 49.981 51.693 509 HA DHI 107 HA DHI 107 61.043 48.657 50.448 510 HB2 DHI 107 HB2 DHI 107 60.906 51.257 51.926 511 HB3 DHI 107 HB1 DHI 107 61.354 51.089 50.216 512 HD2 DHI 107 HD2 DHI 107 59.521 51.290 48.560 513 HE1 DHI 107 HE1 DHI 107 56.233 51.306 51.495 514 HE2 DHI 107 HE2 DHI 107 56.728 51.520 49.006 515 H 2TL 108 H 2TL 108 60.987 49.798 53.779 516 HA 2TL 108 HA 2TL 108 58.692 48.474 54.653 517 HB 2TL 108 HB 2TL 108 59.969 50.154 56.066 518 HG1 2TL 108 HG1 2TL 108 62.133 49.532 55.601 519 HG21 2TL 108 1HG2 2TL 108 58.398 48.803 57.438 520 HG22 2TL 108 2HG2 2TL 108 59.901 47.626 57.607 521 HG23 2TL 108 3HG2 2TL 108 59.883 49.179 58.289 522 H DHI 109 H DHI 109 61.943 46.931 54.743 523 HA DHI 109 HA DHI 109 61.056 44.508 55.667 524 HB2 DHI 109 HB2 DHI 109 63.404 45.174 53.993 525 HB3 DHI 109 HB1 DHI 109 63.186 45.100 55.739 526 HD2 DHI 109 HD2 DHI 109 64.610 43.430 52.862 527 HE1 DHI 109 HE1 DHI 109 64.405 40.449 55.777 528 HE2 DHI 109 HE2 DHI 109 65.249 41.017 53.440 529 H DAR 110 H DAR 110 60.904 45.656 52.393 530 HA DAR 110 HA DAR 110 60.064 42.943 51.302 531 HB2 DAR 110 HB2 DAR 110 59.975 44.352 49.083 532 HB3 DAR 110 HB1 DAR 110 60.861 45.490 50.048 533 HG2 DAR 110 HG2 DAR 110 62.545 44.203 48.887 534 HG3 DAR 110 HG1 DAR 110 62.636 43.706 50.456 535 HD2 DAR 110 HD2 DAR 110 60.850 42.288 48.473 536 HD3 DAR 110 HD1 DAR 110 62.490 42.314 48.254 537 HE DAR 110 HE DAR 110 60.631 40.826 50.191 538 HH11 DAR 110 1HH2 DAR 110 64.070 41.691 49.884 539 HH12 DAR 110 2HH2 DAR 110 64.519 40.588 51.146 540 HH21 DAR 110 1HH1 DAR 110 63.134 39.253 51.951 541 HH22 DAR 110 2HH1 DAR 110 61.381 39.552 51.771 542 H DSG 111 H DSG 111 58.533 46.016 51.977 543 HA DSG 111 HA DSG 111 55.983 45.640 50.805 544 HB2 DSG 111 HB2 DSG 111 56.561 47.028 53.395 545 HB3 DSG 111 HB1 DSG 111 57.239 47.671 51.853 546 HD21 DSG 111 1HD2 DSG 111 55.293 48.531 54.078 547 HD22 DSG 111 2HD2 DSG 111 53.789 48.961 53.259 548 H DAR 112 H DAR 112 54.197 45.330 51.534 549 HA DAR 112 HA DAR 112 53.307 42.919 52.656 550 HB2 DAR 112 HB2 DAR 112 51.889 45.622 52.444 551 HB3 DAR 112 HB1 DAR 112 51.914 44.352 51.141 552 HG2 DAR 112 HG2 DAR 112 50.462 42.829 52.762 553 HG3 DAR 112 HG1 DAR 112 50.358 44.288 53.803 554 HD2 DAR 112 HD2 DAR 112 49.325 44.043 50.829 555 HD3 DAR 112 HD1 DAR 112 48.525 44.150 52.420 556 HE DAR 112 HE DAR 112 49.810 46.287 50.783 557 HH11 DAR 112 1HH2 DAR 112 48.059 45.522 53.781 558 HH12 DAR 112 2HH2 DAR 112 47.663 47.236 53.955 559 HH21 DAR 112 1HH1 DAR 112 49.238 48.493 51.412 560 HH22 DAR 112 2HH1 DAR 112 48.428 48.667 52.980 Start of MODEL 7 1 H1 ASP 1 H1 ASP 1 43.680 17.927 53.047 2 H2 ASP 1 H2 ASP 1 43.983 19.352 52.433 3 H3 ASP 1 H3 ASP 1 43.229 18.204 51.391 4 HA ASP 1 HA ASP 1 45.494 18.243 50.827 5 HB2 ASP 1 HB2 ASP 1 47.323 17.969 52.349 6 HB3 ASP 1 HB1 ASP 1 46.306 19.476 52.505 7 H ALA 2 H ALA 2 47.037 16.133 50.938 8 HA ALA 2 HA ALA 2 45.236 13.707 50.960 9 HB1 ALA 2 HB1 ALA 2 48.187 13.806 50.045 10 HB2 ALA 2 HB2 ALA 2 46.795 12.712 49.585 11 HB3 ALA 2 HB3 ALA 2 46.900 14.427 48.998 12 H GLU 3 H GLU 3 45.705 11.594 51.851 13 HA GLU 3 HA GLU 3 47.135 11.845 54.562 14 HB2 GLU 3 HB2 GLU 3 46.065 9.501 52.964 15 HB3 GLU 3 HB1 GLU 3 46.996 9.327 54.332 16 HG2 GLU 3 HG2 GLU 3 44.128 10.013 54.119 17 HG3 GLU 3 HG1 GLU 3 45.066 9.268 55.303 18 H PHE 4 H PHE 4 48.277 11.040 51.325 19 HA PHE 4 HA PHE 4 50.851 10.044 51.773 20 HB2 PHE 4 HB2 PHE 4 49.819 11.752 49.623 21 HB3 PHE 4 HB1 PHE 4 51.384 10.988 49.567 22 HD1 PHE 4 HD1 PHE 4 48.109 10.042 48.680 23 HD2 PHE 4 HD2 PHE 4 51.970 8.594 50.030 24 HE1 PHE 4 HE1 PHE 4 47.699 7.854 47.831 25 HE2 PHE 4 HE2 PHE 4 51.404 6.413 49.348 26 HZ PHE 4 HZ PHE 4 49.229 5.929 48.281 27 H ARG 5 H ARG 5 49.692 13.095 52.512 28 HA ARG 5 HA ARG 5 52.426 14.562 52.470 29 HB2 ARG 5 HB2 ARG 5 49.693 15.845 52.146 30 HB3 ARG 5 HB1 ARG 5 51.301 16.592 52.322 31 HG2 ARG 5 HG2 ARG 5 50.517 14.680 50.032 32 HG3 ARG 5 HG1 ARG 5 50.350 16.380 49.833 33 HD2 ARG 5 HD2 ARG 5 52.943 16.346 50.492 34 HD3 ARG 5 HD1 ARG 5 52.836 14.650 50.290 35 HE ARG 5 HE ARG 5 51.659 15.797 47.879 36 HH11 ARG 5 1HH1 ARG 5 54.850 15.451 49.314 37 HH12 ARG 5 2HH1 ARG 5 55.691 15.904 47.807 38 HH21 ARG 5 1HH2 ARG 5 52.662 16.296 46.352 39 HH22 ARG 5 2HH2 ARG 5 54.374 16.147 45.998 40 H HIS 6 H HIS 6 52.306 12.829 54.382 41 HA HIS 6 HA HIS 6 51.383 14.075 56.932 42 HB2 HIS 6 HB2 HIS 6 52.748 12.164 57.985 43 HB3 HIS 6 HB1 HIS 6 51.775 11.634 56.575 44 HD2 HIS 6 HD2 HIS 6 55.334 11.462 57.826 45 HE1 HIS 6 HE1 HIS 6 55.388 10.439 53.694 46 HE2 HIS 6 HE2 HIS 6 56.728 10.444 55.793 47 H ASP 7 H ASP 7 54.464 14.140 55.021 48 HA ASP 7 HA ASP 7 55.714 15.312 57.401 49 HB2 ASP 7 HB2 ASP 7 57.751 15.128 56.039 50 HB3 ASP 7 HB1 ASP 7 56.819 13.624 56.085 51 H SER 8 H SER 8 54.291 16.831 54.608 52 HA SER 8 HA SER 8 55.851 19.112 54.502 53 HB2 SER 8 HB2 SER 8 52.906 19.129 54.358 54 HB3 SER 8 HB1 SER 8 53.982 20.261 53.504 55 HG SER 8 HG SER 8 54.774 17.943 52.638 56 H GLY 9 H GLY 9 56.363 20.875 55.855 57 HA2 GLY 9 HA2 GLY 9 54.416 22.195 57.402 58 HA3 GLY 9 HA1 GLY 9 55.322 21.108 58.390 59 H TYR 10 H TYR 10 56.051 23.051 59.636 60 HA TYR 10 HA TYR 10 58.079 24.532 58.253 61 HB2 TYR 10 HB2 TYR 10 55.524 25.514 59.428 62 HB3 TYR 10 HB1 TYR 10 56.811 26.642 58.952 63 HD1 TYR 10 HD1 TYR 10 53.777 25.123 57.601 64 HD2 TYR 10 HD2 TYR 10 57.778 26.486 56.645 65 HE1 TYR 10 HE1 TYR 10 53.129 25.277 55.168 66 HE2 TYR 10 HE2 TYR 10 57.276 26.418 54.245 67 HH TYR 10 HH TYR 10 54.124 25.307 53.131 68 H GLU 11 H GLU 11 58.998 26.424 60.036 69 HA GLU 11 HA GLU 11 58.685 25.439 62.893 70 HB2 GLU 11 HB2 GLU 11 60.946 24.996 63.128 71 HB3 GLU 11 HB1 GLU 11 60.452 24.296 61.674 72 HG2 GLU 11 HG2 GLU 11 62.221 26.754 61.773 73 HG3 GLU 11 HG1 GLU 11 62.755 25.145 61.409 74 H VAL 12 H VAL 12 59.757 26.734 64.445 75 HA VAL 12 HA VAL 12 60.579 29.406 64.144 76 HB VAL 12 HB VAL 12 58.221 29.958 63.933 77 HG11 VAL 12 1HG1 VAL 12 57.745 29.080 66.760 78 HG12 VAL 12 2HG1 VAL 12 56.655 29.668 65.545 79 HG13 VAL 12 3HG1 VAL 12 57.394 27.984 65.319 80 HG21 VAL 12 1HG2 VAL 12 59.232 31.325 66.369 81 HG22 VAL 12 2HG2 VAL 12 59.580 31.565 64.534 82 HG23 VAL 12 3HG2 VAL 12 57.995 31.683 65.144 83 H HIS 13 H HIS 13 61.589 30.406 66.199 84 HA HIS 13 HA HIS 13 62.072 28.313 68.185 85 HB2 HIS 13 HB2 HIS 13 63.527 29.681 69.297 86 HB3 HIS 13 HB1 HIS 13 63.856 29.613 67.558 87 HD2 HIS 13 HD2 HIS 13 63.637 31.858 70.324 88 HE1 HIS 13 HE1 HIS 13 62.726 34.345 66.931 89 HE2 HIS 13 HE2 HIS 13 63.063 34.462 69.459 90 H HIS 14 H HIS 14 60.198 31.370 68.534 91 HA HIS 14 HA HIS 14 58.612 29.834 70.587 92 HB2 HIS 14 HB2 HIS 14 60.220 31.302 71.521 93 HB3 HIS 14 HB1 HIS 14 59.196 32.661 70.904 94 HD2 HIS 14 HD2 HIS 14 59.514 30.755 74.068 95 HE1 HIS 14 HE1 HIS 14 55.488 32.072 73.883 96 HE2 HIS 14 HE2 HIS 14 57.293 31.179 75.393 97 H GLN 15 H GLN 15 56.432 29.999 70.335 98 HA GLN 15 HA GLN 15 55.325 30.790 67.776 99 HB2 GLN 15 HB2 GLN 15 54.303 30.010 70.602 100 HB3 GLN 15 HB1 GLN 15 53.311 30.180 69.023 101 HG2 GLN 15 HG2 GLN 15 55.752 28.212 68.977 102 HG3 GLN 15 HG1 GLN 15 54.263 27.710 69.744 103 HE21 GLN 15 1HE2 GLN 15 55.627 26.692 67.478 104 HE22 GLN 15 2HE2 GLN 15 54.064 26.566 66.533 105 H LYS 16 H LYS 16 56.060 32.846 70.659 106 HA LYS 16 HA LYS 16 54.164 34.741 70.150 107 HB2 LYS 16 HB2 LYS 16 57.075 34.771 71.160 108 HB3 LYS 16 HB1 LYS 16 56.395 36.293 70.861 109 HG2 LYS 16 HG2 LYS 16 55.032 34.149 72.688 110 HG3 LYS 16 HG1 LYS 16 56.258 35.289 73.353 111 HD2 LYS 16 HD2 LYS 16 54.789 37.220 72.453 112 HD3 LYS 16 HD1 LYS 16 53.533 36.051 71.977 113 HE2 LYS 16 HE2 LYS 16 53.718 35.282 74.432 114 HE3 LYS 16 HE1 LYS 16 54.616 36.826 74.731 115 HZ1 LYS 16 HZ1 LYS 16 51.818 36.426 73.940 116 HZ2 LYS 16 HZ2 LYS 16 52.418 37.384 75.228 117 HZ3 LYS 16 HZ3 LYS 16 52.516 37.799 73.646 118 H LEU 17 H LEU 17 56.708 33.988 68.122 119 HA LEU 17 HA LEU 17 56.631 36.450 66.432 120 HB2 LEU 17 HB2 LEU 17 57.810 33.726 66.099 121 HB3 LEU 17 HB1 LEU 17 57.588 34.743 64.808 122 HG LEU 17 HG LEU 17 58.931 36.483 65.920 123 HD11 LEU 17 1HD1 LEU 17 60.255 35.961 67.892 124 HD12 LEU 17 2HD1 LEU 17 58.582 35.643 68.316 125 HD13 LEU 17 3HD1 LEU 17 59.542 34.309 67.892 126 HD21 LEU 17 1HD2 LEU 17 61.190 35.374 65.580 127 HD22 LEU 17 2HD2 LEU 17 60.394 33.805 65.857 128 HD23 LEU 17 3HD2 LEU 17 60.046 34.751 64.432 129 H VAL 18 H VAL 18 54.631 33.526 66.498 130 HA VAL 18 HA VAL 18 53.192 34.128 63.950 131 HB VAL 18 HB VAL 18 52.195 32.582 66.348 132 HG11 VAL 18 1HG1 VAL 18 51.807 32.548 63.290 133 HG12 VAL 18 2HG1 VAL 18 50.973 31.441 64.356 134 HG13 VAL 18 3HG1 VAL 18 50.653 33.192 64.391 135 HG21 VAL 18 1HG2 VAL 18 54.431 31.573 65.794 136 HG22 VAL 18 2HG2 VAL 18 53.119 30.571 65.401 137 HG23 VAL 18 3HG2 VAL 18 54.063 31.491 64.183 138 H PHE 19 H PHE 19 52.767 34.623 67.470 139 HA PHE 19 HA PHE 19 50.329 35.958 66.861 140 HB2 PHE 19 HB2 PHE 19 51.590 36.561 69.686 141 HB3 PHE 19 HB1 PHE 19 49.942 36.381 69.229 142 HD1 PHE 19 HD1 PHE 19 51.814 35.236 71.531 143 HD2 PHE 19 HD2 PHE 19 50.037 33.787 68.009 144 HE1 PHE 19 HE1 PHE 19 52.108 32.967 72.411 145 HE2 PHE 19 HE2 PHE 19 50.113 31.450 68.833 146 HZ PHE 19 HZ PHE 19 51.306 30.989 71.168 147 H PHE 20 H PHE 20 53.671 37.266 67.563 148 HA PHE 20 HA PHE 20 52.845 39.984 66.965 149 HB2 PHE 20 HB2 PHE 20 55.406 38.438 66.415 150 HB3 PHE 20 HB1 PHE 20 55.231 40.237 66.504 151 HD1 PHE 20 HD1 PHE 20 53.863 40.690 68.924 152 HD2 PHE 20 HD2 PHE 20 57.210 38.103 68.092 153 HE1 PHE 20 HE1 PHE 20 54.635 40.889 71.470 154 HE2 PHE 20 HE2 PHE 20 57.913 38.287 70.392 155 HZ PHE 20 HZ PHE 20 56.773 39.894 72.059 156 H ALA 21 H ALA 21 53.617 37.391 64.527 157 HA ALA 21 HA ALA 21 53.652 39.152 62.488 158 HB1 ALA 21 HB1 ALA 21 53.252 36.195 62.529 159 HB2 ALA 21 HB2 ALA 21 53.101 37.249 60.938 160 HB3 ALA 21 HB3 ALA 21 54.624 37.030 61.997 161 H GLU 22 H GLU 22 50.872 37.638 63.945 162 HA GLU 22 HA GLU 22 48.690 38.111 62.267 163 HB2 GLU 22 HB2 GLU 22 48.762 36.561 63.894 164 HB3 GLU 22 HB1 GLU 22 49.310 37.624 65.168 165 HG2 GLU 22 HG2 GLU 22 47.112 37.255 65.604 166 HG3 GLU 22 HG1 GLU 22 47.279 38.935 65.228 167 H ASP 23 H ASP 23 50.314 40.255 64.626 168 HA ASP 23 HA ASP 23 47.989 41.828 65.257 169 HB2 ASP 23 HB2 ASP 23 49.713 41.196 66.790 170 HB3 ASP 23 HB1 ASP 23 50.914 42.412 65.830 171 H VAL 24 H VAL 24 50.083 42.214 62.630 172 HA VAL 24 HA VAL 24 49.417 45.100 62.196 173 HB VAL 24 HB VAL 24 50.091 43.043 60.095 174 HG11 VAL 24 1HG1 VAL 24 49.985 46.094 60.060 175 HG12 VAL 24 2HG1 VAL 24 50.855 45.059 58.822 176 HG13 VAL 24 3HG1 VAL 24 49.190 44.885 59.036 177 HG21 VAL 24 1HG2 VAL 24 52.252 44.166 60.121 178 HG22 VAL 24 2HG2 VAL 24 51.993 45.084 61.662 179 HG23 VAL 24 3HG2 VAL 24 52.028 43.429 61.744 180 H GLY 25 H GLY 25 47.978 42.192 61.266 181 HA2 GLY 25 HA2 GLY 25 45.501 41.958 61.123 182 HA3 GLY 25 HA1 GLY 25 45.315 43.554 60.489 183 H SER 26 H SER 26 46.500 44.123 58.369 184 HA SER 26 HA SER 26 45.672 42.191 56.210 185 HB2 SER 26 HB2 SER 26 46.688 44.025 54.869 186 HB3 SER 26 HB1 SER 26 46.291 44.780 56.263 187 HG SER 26 HG SER 26 48.357 45.356 56.303 188 H ASN 27 H ASN 27 48.718 42.417 57.909 189 HA ASN 27 HA ASN 27 50.173 41.281 56.094 190 HB2 ASN 27 HB2 ASN 27 50.932 42.175 58.390 191 HB3 ASN 27 HB1 ASN 27 50.337 40.619 59.076 192 HD21 ASN 27 1HD2 ASN 27 51.964 39.103 59.434 193 HD22 ASN 27 2HD2 ASN 27 53.295 38.842 58.260 194 H LYS 28 H LYS 28 48.206 39.209 57.999 195 HA LYS 28 HA LYS 28 49.409 36.778 57.341 196 HB2 LYS 28 HB2 LYS 28 47.536 35.888 58.549 197 HB3 LYS 28 HB1 LYS 28 48.091 37.329 59.343 198 HG2 LYS 28 HG2 LYS 28 46.229 38.486 58.047 199 HG3 LYS 28 HG1 LYS 28 45.677 36.992 57.478 200 HD2 LYS 28 HD2 LYS 28 45.287 36.121 59.668 201 HD3 LYS 28 HD1 LYS 28 46.222 37.353 60.474 202 HE2 LYS 28 HE2 LYS 28 44.622 39.183 59.632 203 HE3 LYS 28 HE1 LYS 28 43.387 37.959 59.308 204 HZ1 LYS 28 HZ1 LYS 28 42.977 38.933 61.417 205 HZ2 LYS 28 HZ2 LYS 28 43.560 37.388 61.598 206 HZ3 LYS 28 HZ3 LYS 28 44.506 38.614 61.967 207 H GLY 29 H GLY 29 48.233 38.542 54.938 208 HA2 GLY 29 HA2 GLY 29 47.950 36.431 53.197 209 HA3 GLY 29 HA1 GLY 29 46.259 37.260 53.394 210 H ALA 30 H ALA 30 48.398 39.711 53.771 211 HA ALA 30 HA ALA 30 47.370 40.926 51.551 212 HB1 ALA 30 HB1 ALA 30 49.571 41.810 53.476 213 HB2 ALA 30 HB2 ALA 30 48.997 42.705 52.025 214 HB3 ALA 30 HB3 ALA 30 47.948 42.328 53.463 215 H ILE 31 H ILE 31 50.936 39.941 51.957 216 HA ILE 31 HA ILE 31 51.451 40.944 49.256 217 HB ILE 31 HB ILE 31 53.318 39.416 50.864 218 HG12 ILE 31 2HG1 ILE 31 52.872 41.394 52.022 219 HG13 ILE 31 1HG1 ILE 31 54.434 41.718 51.239 220 HG21 ILE 31 1HG2 ILE 31 54.078 39.180 48.803 221 HG22 ILE 31 2HG2 ILE 31 53.857 41.048 48.322 222 HG23 ILE 31 3HG2 ILE 31 55.033 40.377 49.480 223 HD11 ILE 31 HD1 ILE 31 53.173 43.797 50.767 224 HD12 ILE 31 HD2 ILE 31 52.490 42.749 49.379 225 HD13 ILE 31 HD3 ILE 31 51.669 42.885 50.901 226 H ILE 32 H ILE 32 50.281 37.940 50.302 227 HA ILE 32 HA ILE 32 50.726 36.717 47.583 228 HB ILE 32 HB ILE 32 48.839 35.764 49.792 229 HG12 ILE 32 2HG1 ILE 32 50.838 33.793 49.038 230 HG13 ILE 32 1HG1 ILE 32 51.800 35.240 49.207 231 HG21 ILE 32 1HG2 ILE 32 48.518 33.852 48.458 232 HG22 ILE 32 2HG2 ILE 32 48.242 35.196 47.367 233 HG23 ILE 32 3HG2 ILE 32 49.795 34.325 47.303 234 HD11 ILE 32 HD1 ILE 32 51.065 35.686 51.559 235 HD12 ILE 32 HD2 ILE 32 49.775 34.453 51.428 236 HD13 ILE 32 HD3 ILE 32 51.431 33.935 51.407 237 H GLY 33 H GLY 33 47.928 38.371 49.277 238 HA2 GLY 33 HA2 GLY 33 46.251 38.432 47.194 239 HA3 GLY 33 HA1 GLY 33 46.247 39.648 48.431 240 H LEU 34 H LEU 34 48.990 40.689 47.765 241 HA LEU 34 HA LEU 34 48.588 42.551 45.533 242 HB2 LEU 34 HB2 LEU 34 49.931 42.977 47.644 243 HB3 LEU 34 HB1 LEU 34 51.204 41.898 47.037 244 HG LEU 34 HG LEU 34 51.593 43.096 45.083 245 HD11 LEU 34 1HD1 LEU 34 49.382 44.463 44.803 246 HD12 LEU 34 2HD1 LEU 34 49.766 45.457 46.233 247 HD13 LEU 34 3HD1 LEU 34 50.823 45.378 44.857 248 HD21 LEU 34 1HD2 LEU 34 52.884 43.721 47.297 249 HD22 LEU 34 2HD2 LEU 34 52.455 45.227 46.376 250 HD23 LEU 34 3HD2 LEU 34 51.551 44.687 47.877 251 H MET 35 H MET 35 50.474 39.500 45.890 252 HA MET 35 HA MET 35 51.628 39.765 43.209 253 HB2 MET 35 HB2 MET 35 52.792 38.636 44.845 254 HB3 MET 35 HB1 MET 35 51.442 37.580 45.211 255 HG2 MET 35 HG2 MET 35 53.012 36.118 43.970 256 HG3 MET 35 HG1 MET 35 51.662 36.504 43.070 257 HE1 MET 35 HE1 MET 35 54.874 38.378 43.918 258 HE2 MET 35 HE2 MET 35 55.298 36.840 43.461 259 HE3 MET 35 HE3 MET 35 55.763 38.183 42.321 260 H VAL 36 H VAL 36 49.037 37.839 44.569 261 HA VAL 36 HA VAL 36 48.208 36.772 41.834 262 HB VAL 36 HB VAL 36 46.601 36.621 44.278 263 HG11 VAL 36 1HG1 VAL 36 46.685 35.131 41.588 264 HG12 VAL 36 2HG1 VAL 36 45.724 34.656 42.899 265 HG13 VAL 36 3HG1 VAL 36 45.363 36.195 42.020 266 HG21 VAL 36 1HG2 VAL 36 48.639 35.544 44.588 267 HG22 VAL 36 2HG2 VAL 36 47.401 34.350 44.496 268 HG23 VAL 36 3HG2 VAL 36 48.616 34.638 43.104 269 H GLY 37 H GLY 37 47.183 39.530 43.859 270 HA2 GLY 37 HA2 GLY 37 44.944 40.259 42.171 271 HA3 GLY 37 HA1 GLY 37 46.113 41.408 43.212 272 H GLY 38 H GLY 38 48.421 40.912 41.978 273 HA2 GLY 38 HA2 GLY 38 48.446 42.520 39.606 274 HA3 GLY 38 HA1 GLY 38 49.802 41.735 40.290 275 H VAL 39 H VAL 39 48.568 39.018 40.189 276 HA VAL 39 HA VAL 39 49.003 38.344 37.404 277 HB VAL 39 HB VAL 39 47.684 36.734 39.617 278 HG11 VAL 39 1HG1 VAL 39 48.385 35.763 36.923 279 HG12 VAL 39 2HG1 VAL 39 48.090 34.756 38.242 280 HG13 VAL 39 3HG1 VAL 39 46.759 35.824 37.761 281 HG21 VAL 39 1HG2 VAL 39 50.085 36.925 40.093 282 HG22 VAL 39 2HG2 VAL 39 49.765 35.282 39.661 283 HG23 VAL 39 3HG2 VAL 39 50.482 36.424 38.537 284 H VAL 40 H VAL 40 46.107 39.171 39.390 285 HA VAL 40 HA VAL 40 44.399 38.405 37.265 286 HB VAL 40 HB VAL 40 43.930 40.251 39.736 287 HG11 VAL 40 1HG1 VAL 40 41.803 39.664 37.802 288 HG12 VAL 40 2HG1 VAL 40 41.569 40.211 39.438 289 HG13 VAL 40 3HG1 VAL 40 42.371 41.140 38.206 290 HG21 VAL 40 1HG2 VAL 40 42.614 38.763 40.705 291 HG22 VAL 40 2HG2 VAL 40 42.535 37.741 39.204 292 HG23 VAL 40 3HG2 VAL 40 44.054 37.818 40.116 293 H ILE 41 H ILE 41 46.067 41.280 37.895 294 HA ILE 41 HA ILE 41 44.620 42.865 35.850 295 HB ILE 41 HB ILE 41 46.977 43.501 37.742 296 HG12 ILE 41 2HG1 ILE 41 44.592 45.162 37.317 297 HG13 ILE 41 1HG1 ILE 41 44.511 43.629 38.318 298 HG21 ILE 41 1HG2 ILE 41 47.200 45.590 36.669 299 HG22 ILE 41 2HG2 ILE 41 47.628 44.429 35.512 300 HG23 ILE 41 3HG2 ILE 41 46.062 45.162 35.381 301 HD11 ILE 41 HD1 ILE 41 46.271 46.023 38.863 302 HD12 ILE 41 HD2 ILE 41 44.935 45.457 39.711 303 HD13 ILE 41 HD3 ILE 41 46.366 44.376 39.656 304 H ALA 42 H ALA 42 47.792 41.237 36.001 305 HA ALA 42 HA ALA 42 48.389 41.552 33.253 306 HB1 ALA 42 HB1 ALA 42 50.093 40.878 34.890 307 HB2 ALA 42 HB2 ALA 42 49.085 39.414 35.329 308 HB3 ALA 42 HB3 ALA 42 49.883 39.640 33.687 309 H THR 43 H THR 43 46.757 39.088 34.685 310 HA THR 43 HA THR 43 45.969 37.444 32.592 311 HB THR 43 HB THR 43 44.244 38.181 35.005 312 HG1 THR 43 HG1 THR 43 46.149 37.380 35.493 313 HG21 THR 43 1HG2 THR 43 43.464 35.706 34.403 314 HG22 THR 43 2HG2 THR 43 42.732 37.048 33.580 315 HG23 THR 43 3HG2 THR 43 43.893 36.102 32.711 316 H VAL 44 H VAL 44 44.197 40.313 33.774 317 HA VAL 44 HA VAL 44 42.019 40.010 31.738 318 HB VAL 44 HB VAL 44 42.562 42.077 33.939 319 HG11 VAL 44 1HG1 VAL 44 40.400 42.956 33.587 320 HG12 VAL 44 2HG1 VAL 44 41.239 43.167 32.092 321 HG13 VAL 44 3HG1 VAL 44 40.016 41.755 32.279 322 HG21 VAL 44 1HG2 VAL 44 40.337 39.925 33.654 323 HG22 VAL 44 2HG2 VAL 44 41.818 39.636 34.673 324 HG23 VAL 44 3HG2 VAL 44 40.727 40.926 35.173 325 H ILE 45 H ILE 45 44.980 42.015 31.997 326 HA ILE 45 HA ILE 45 44.461 43.517 29.670 327 HB ILE 45 HB ILE 45 47.078 42.703 30.968 328 HG12 ILE 45 2HG1 ILE 45 46.091 45.412 30.511 329 HG13 ILE 45 1HG1 ILE 45 45.536 44.516 32.044 330 HG21 ILE 45 1HG2 ILE 45 46.645 44.178 28.403 331 HG22 ILE 45 2HG2 ILE 45 48.125 44.404 29.331 332 HG23 ILE 45 3HG2 ILE 45 47.672 42.865 28.526 333 HD11 ILE 45 HD1 ILE 45 47.612 46.050 32.196 334 HD12 ILE 45 HD2 ILE 45 47.819 44.468 33.071 335 HD13 ILE 45 HD3 ILE 45 48.552 44.796 31.473 336 H VAL 46 H VAL 46 46.464 40.605 30.074 337 HA VAL 46 HA VAL 46 46.586 39.875 27.414 338 HB VAL 46 HB VAL 46 46.225 38.080 29.788 339 HG11 VAL 46 1HG1 VAL 46 46.621 37.168 26.942 340 HG12 VAL 46 2HG1 VAL 46 46.899 36.251 28.256 341 HG13 VAL 46 3HG1 VAL 46 45.260 36.760 28.070 342 HG21 VAL 46 1HG2 VAL 46 48.513 38.879 27.877 343 HG22 VAL 46 2HG2 VAL 46 48.304 39.308 29.544 344 HG23 VAL 46 3HG2 VAL 46 48.742 37.668 29.126 345 H ILE 47 H ILE 47 43.562 39.271 29.234 346 HA ILE 47 HA ILE 47 42.351 37.910 26.891 347 HB ILE 47 HB ILE 47 41.051 39.112 29.226 348 HG12 ILE 47 2HG1 ILE 47 41.502 36.163 29.063 349 HG13 ILE 47 1HG1 ILE 47 42.707 37.195 29.834 350 HG21 ILE 47 1HG2 ILE 47 39.401 38.665 27.469 351 HG22 ILE 47 2HG2 ILE 47 39.954 37.127 27.166 352 HG23 ILE 47 3HG2 ILE 47 39.159 37.589 28.737 353 HD11 ILE 47 HD1 ILE 47 41.361 38.048 31.433 354 HD12 ILE 47 HD2 ILE 47 39.949 37.318 30.874 355 HD13 ILE 47 HD3 ILE 47 41.186 36.329 31.535 356 H THR 48 H THR 48 42.350 41.148 28.227 357 HA THR 48 HA THR 48 40.469 42.291 26.524 358 HB THR 48 HB THR 48 42.973 43.381 27.812 359 HG1 THR 48 HG1 THR 48 41.379 42.940 29.143 360 HG21 THR 48 1HG2 THR 48 41.604 45.700 27.420 361 HG22 THR 48 2HG2 THR 48 42.479 45.012 25.904 362 HG23 THR 48 3HG2 THR 48 40.723 44.731 26.259 363 H LEU 49 H LEU 49 43.879 41.682 25.921 364 HA LEU 49 HA LEU 49 44.087 43.225 23.376 365 HB2 LEU 49 HB2 LEU 49 46.145 41.713 25.034 366 HB3 LEU 49 HB1 LEU 49 46.539 42.404 23.525 367 HG LEU 49 HG LEU 49 45.436 43.939 25.952 368 HD11 LEU 49 1HD1 LEU 49 47.635 43.063 26.513 369 HD12 LEU 49 2HD1 LEU 49 48.204 43.202 24.813 370 HD13 LEU 49 3HD1 LEU 49 48.026 44.627 25.912 371 HD21 LEU 49 1HD2 LEU 49 44.820 45.234 24.432 372 HD22 LEU 49 2HD2 LEU 49 46.497 45.896 24.580 373 HD23 LEU 49 3HD2 LEU 49 46.162 44.818 23.271 374 H VAL 50 H VAL 50 43.986 39.599 24.417 375 HA VAL 50 HA VAL 50 44.143 38.517 21.655 376 HB VAL 50 HB VAL 50 42.982 37.559 24.241 377 HG11 VAL 50 1HG1 VAL 50 41.594 36.484 22.172 378 HG12 VAL 50 2HG1 VAL 50 43.198 35.905 21.697 379 HG13 VAL 50 3HG1 VAL 50 42.455 35.418 23.215 380 HG21 VAL 50 1HG2 VAL 50 45.546 37.479 23.933 381 HG22 VAL 50 2HG2 VAL 50 44.536 35.859 24.179 382 HG23 VAL 50 3HG2 VAL 50 45.241 36.331 22.670 383 H MET 51 H MET 51 41.529 39.790 23.574 384 HA MET 51 HA MET 51 39.498 39.326 21.524 385 HB2 MET 51 HB2 MET 51 39.280 40.880 24.180 386 HB3 MET 51 HB1 MET 51 37.989 40.631 23.058 387 HG2 MET 51 HG2 MET 51 38.759 38.011 23.165 388 HG3 MET 51 HG1 MET 51 39.457 38.533 24.679 389 HE1 MET 51 HE1 MET 51 36.165 37.658 22.694 390 HE2 MET 51 HE2 MET 51 35.019 38.436 23.625 391 HE3 MET 51 HE3 MET 51 36.117 39.417 22.693 392 H LEU 52 H LEU 52 41.129 42.489 22.468 393 HA LEU 52 HA LEU 52 40.027 43.876 20.229 394 HB2 LEU 52 HB2 LEU 52 42.504 44.293 21.679 395 HB3 LEU 52 HB1 LEU 52 41.977 45.327 20.289 396 HG LEU 52 HG LEU 52 39.998 44.830 22.630 397 HD11 LEU 52 1HD1 LEU 52 42.071 47.039 22.312 398 HD12 LEU 52 2HD1 LEU 52 41.062 46.953 23.641 399 HD13 LEU 52 3HD1 LEU 52 42.358 45.664 23.501 400 HD21 LEU 52 1HD2 LEU 52 39.403 47.155 22.092 401 HD22 LEU 52 2HD2 LEU 52 40.482 47.207 20.740 402 HD23 LEU 52 3HD2 LEU 52 39.200 46.049 20.697 403 H LYS 53 H LYS 53 42.318 41.263 20.098 404 HA LYS 53 HA LYS 53 43.209 41.751 17.347 405 HB2 LYS 53 HB2 LYS 53 44.844 40.915 19.376 406 HB3 LYS 53 HB1 LYS 53 43.997 39.435 19.257 407 HG2 LYS 53 HG2 LYS 53 46.188 39.370 18.122 408 HG3 LYS 53 HG1 LYS 53 44.895 39.014 16.977 409 HD2 LYS 53 HD2 LYS 53 45.066 40.868 15.748 410 HD3 LYS 53 HD1 LYS 53 45.847 41.969 17.031 411 HE2 LYS 53 HE2 LYS 53 47.987 40.591 16.592 412 HE3 LYS 53 HE1 LYS 53 47.040 39.583 15.474 413 HZ1 LYS 53 HZ1 LYS 53 46.621 41.678 14.095 414 HZ2 LYS 53 HZ2 LYS 53 47.461 42.629 15.122 415 HZ3 LYS 53 HZ3 LYS 53 48.191 41.429 14.101 416 H LYS 54 H LYS 54 40.885 39.756 18.980 417 HA LYS 54 HA LYS 54 40.561 37.909 16.817 418 HB2 LYS 54 HB2 LYS 54 38.471 39.064 18.748 419 HB3 LYS 54 HB1 LYS 54 38.099 37.856 17.588 420 HG2 LYS 54 HG2 LYS 54 40.012 37.834 19.900 421 HG3 LYS 54 HG1 LYS 54 38.459 36.930 19.888 422 HD2 LYS 54 HD2 LYS 54 40.979 36.062 18.484 423 HD3 LYS 54 HD1 LYS 54 40.255 35.394 19.827 424 HE2 LYS 54 HE2 LYS 54 38.434 34.491 18.869 425 HE3 LYS 54 HE1 LYS 54 38.503 35.565 17.573 426 HZ1 LYS 54 HZ1 LYS 54 40.455 33.429 18.064 427 HZ2 LYS 54 HZ2 LYS 54 39.280 33.455 16.855 428 HZ3 LYS 54 HZ3 LYS 54 40.502 34.522 16.803 429 H LYS 55 H LYS 55 38.797 38.072 15.193 430 HA LYS 55 HA LYS 55 38.744 40.597 13.658 431 HB2 LYS 55 HB2 LYS 55 39.148 38.232 12.857 432 HB3 LYS 55 HB1 LYS 55 37.576 37.833 13.044 433 HG2 LYS 55 HG2 LYS 55 38.247 38.319 10.667 434 HG3 LYS 55 HG1 LYS 55 36.973 39.350 11.292 435 HD2 LYS 55 HD2 LYS 55 38.590 41.184 11.699 436 HD3 LYS 55 HD1 LYS 55 39.892 39.971 11.448 437 HE2 LYS 55 HE2 LYS 55 39.190 40.109 8.984 438 HE3 LYS 55 HE1 LYS 55 37.811 41.271 9.411 439 HZ1 LYS 55 HZ1 LYS 55 39.970 42.431 8.466 440 HZ2 LYS 55 HZ2 LYS 55 39.729 42.817 10.031 441 HZ3 LYS 55 HZ3 LYS 55 40.737 41.593 9.625 442 H1 DAR 101 H1 DAR 101 47.072 18.906 62.567 443 H2 DAR 101 H2 DAR 101 46.794 20.493 61.939 444 H3 DAR 101 H3 DAR 101 46.074 19.149 61.255 445 HA DAR 101 HA DAR 101 47.787 20.035 59.914 446 HB2 DAR 101 HB2 DAR 101 49.180 17.714 59.999 447 HB3 DAR 101 HB1 DAR 101 47.664 17.147 60.588 448 HG2 DAR 101 HG2 DAR 101 46.541 18.268 58.748 449 HG3 DAR 101 HG1 DAR 101 48.040 18.386 57.889 450 HD2 DAR 101 HD2 DAR 101 48.251 15.887 58.107 451 HD3 DAR 101 HD1 DAR 101 46.761 15.991 58.999 452 HE DAR 101 HE DAR 101 46.102 16.871 56.314 453 HH11 DAR 101 1HH2 DAR 101 47.228 13.963 58.129 454 HH12 DAR 101 2HH2 DAR 101 46.213 12.936 57.040 455 HH21 DAR 101 1HH1 DAR 101 45.301 15.513 55.101 456 HH22 DAR 101 2HH1 DAR 101 45.333 13.699 55.355 457 HA DPR 102 HA DPR 102 51.840 18.864 61.893 458 HB2 DPR 102 HB2 DPR 102 51.491 18.607 64.872 459 HB3 DPR 102 HB1 DPR 102 52.583 17.745 63.645 460 HG2 DPR 102 HG2 DPR 102 50.362 16.523 64.437 461 HG3 DPR 102 HG1 DPR 102 50.777 16.527 62.615 462 HD2 DPR 102 HD2 DPR 102 48.805 18.120 63.915 463 HD3 DPR 102 HD1 DPR 102 48.770 17.152 62.482 464 H DAR 103 H DAR 103 50.093 20.689 64.403 465 HA DAR 103 HA DAR 103 52.028 22.945 64.612 466 HB2 DAR 103 HB2 DAR 103 50.590 23.689 66.430 467 HB3 DAR 103 HB1 DAR 103 49.581 22.380 66.166 468 HG2 DAR 103 HG2 DAR 103 51.593 20.850 66.784 469 HG3 DAR 103 HG1 DAR 103 52.610 22.323 67.042 470 HD2 DAR 103 HD2 DAR 103 49.933 21.921 68.650 471 HD3 DAR 103 HD1 DAR 103 51.531 21.361 69.100 472 HE DAR 103 HE DAR 103 50.712 24.065 69.457 473 HH11 DAR 103 1HH2 DAR 103 53.569 21.890 69.146 474 HH12 DAR 103 2HH2 DAR 103 54.639 23.184 69.704 475 HH21 DAR 103 1HH1 DAR 103 52.089 25.613 69.779 476 HH22 DAR 103 2HH1 DAR 103 53.865 25.206 69.862 477 H 2TL 104 H 2TL 104 48.662 22.486 63.458 478 HA 2TL 104 HA 2TL 104 48.017 25.254 62.736 479 HB 2TL 104 HB 2TL 104 46.452 23.366 63.024 480 HG1 2TL 104 HG1 2TL 104 47.225 22.248 60.666 481 HG21 2TL 104 1HG2 2TL 104 46.248 24.583 60.265 482 HG22 2TL 104 2HG2 2TL 104 45.072 23.424 60.957 483 HG23 2TL 104 3HG2 2TL 104 45.454 25.040 61.823 484 H DAR 105 H DAR 105 49.738 22.806 60.755 485 HA DAR 105 HA DAR 105 49.914 24.268 58.373 486 HB2 DAR 105 HB2 DAR 105 52.038 23.016 57.924 487 HB3 DAR 105 HB1 DAR 105 51.833 22.303 59.549 488 HG2 DAR 105 HG2 DAR 105 49.443 21.474 58.657 489 HG3 DAR 105 HG1 DAR 105 49.879 22.110 57.083 490 HD2 DAR 105 HD2 DAR 105 51.838 20.747 57.131 491 HD3 DAR 105 HD1 DAR 105 51.404 20.083 58.762 492 HE DAR 105 HE DAR 105 49.392 19.953 56.569 493 HH11 DAR 105 1HH2 DAR 105 52.310 18.249 57.292 494 HH12 DAR 105 2HH2 DAR 105 51.731 16.826 56.412 495 HH21 DAR 105 1HH1 DAR 105 48.892 18.195 55.246 496 HH22 DAR 105 2HH1 DAR 105 49.806 16.837 55.393 497 H DLE 106 H DLE 106 52.211 24.154 61.186 498 HA DLE 106 HA DLE 106 53.699 26.401 60.232 499 HB2 DLE 106 HB2 DLE 106 53.487 25.110 62.980 500 HB3 DLE 106 HB1 DLE 106 54.511 24.578 61.760 501 HG DLE 106 HG DLE 106 55.957 26.628 62.095 502 HD11 DLE 106 1HD1 DLE 106 55.416 27.771 64.390 503 HD12 DLE 106 2HD1 DLE 106 54.376 28.191 62.940 504 HD13 DLE 106 3HD1 DLE 106 53.840 27.102 64.129 505 HD21 DLE 106 1HD2 DLE 106 56.225 24.340 63.442 506 HD22 DLE 106 2HD2 DLE 106 56.808 25.713 64.272 507 HD23 DLE 106 3HD2 DLE 106 55.214 25.051 64.682 508 H DHI 107 H DHI 107 51.108 26.359 62.942 509 HA DHI 107 HA DHI 107 51.226 28.870 63.354 510 HB2 DHI 107 HB2 DHI 107 48.482 27.284 63.340 511 HB3 DHI 107 HB1 DHI 107 49.748 27.330 64.594 512 HD2 DHI 107 HD2 DHI 107 49.514 28.981 66.591 513 HE1 DHI 107 HE1 DHI 107 46.540 31.577 64.910 514 HE2 DHI 107 HE2 DHI 107 47.889 31.041 67.012 515 H 2TL 108 H 2TL 108 49.328 27.630 60.802 516 HA 2TL 108 HA 2TL 108 48.177 29.973 59.844 517 HB 2TL 108 HB 2TL 108 47.287 27.848 59.137 518 HG1 2TL 108 HG1 2TL 108 49.039 26.687 59.244 519 HG21 2TL 108 1HG2 2TL 108 47.252 27.754 56.800 520 HG22 2TL 108 2HG2 2TL 108 47.063 29.538 57.265 521 HG23 2TL 108 3HG2 2TL 108 48.551 29.022 56.607 522 H DHI 109 H DHI 109 51.188 28.259 58.731 523 HA DHI 109 HA DHI 109 51.764 30.222 56.657 524 HB2 DHI 109 HB2 DHI 109 53.271 27.895 58.004 525 HB3 DHI 109 HB1 DHI 109 52.445 27.986 56.330 526 HD2 DHI 109 HD2 DHI 109 55.613 29.129 57.935 527 HE1 DHI 109 HE1 DHI 109 55.932 30.196 53.842 528 HE2 DHI 109 HE2 DHI 109 57.231 29.891 56.035 529 H DAR 110 H DAR 110 52.546 29.988 60.001 530 HA DAR 110 HA DAR 110 54.753 32.223 59.722 531 HB2 DAR 110 HB2 DAR 110 55.068 31.821 62.127 532 HB3 DAR 110 HB1 DAR 110 53.802 30.524 62.122 533 HG2 DAR 110 HG2 DAR 110 56.000 29.796 62.233 534 HG3 DAR 110 HG1 DAR 110 55.287 29.073 60.760 535 HD2 DAR 110 HD2 DAR 110 57.597 29.807 60.500 536 HD3 DAR 110 HD1 DAR 110 56.438 30.910 59.429 537 HE DAR 110 HE DAR 110 56.992 32.635 61.385 538 HH11 DAR 110 1HH2 DAR 110 58.223 33.814 62.105 539 HH12 DAR 110 2HH2 DAR 110 59.909 33.320 62.269 540 HH21 DAR 110 1HH1 DAR 110 59.406 30.086 61.618 541 HH22 DAR 110 2HH1 DAR 110 60.625 31.266 62.055 542 H DSG 111 H DSG 111 51.230 31.996 60.155 543 HA DSG 111 HA DSG 111 50.780 34.235 61.838 544 HB2 DSG 111 HB2 DSG 111 49.341 33.601 59.275 545 HB3 DSG 111 HB1 DSG 111 49.411 32.348 60.489 546 HD21 DSG 111 1HD2 DSG 111 49.045 35.798 61.168 547 HD22 DSG 111 2HD2 DSG 111 47.439 35.850 61.731 548 H DAR 112 H DAR 112 52.344 33.757 58.702 549 HA DAR 112 HA DAR 112 51.852 36.415 57.615 550 HB2 DAR 112 HB2 DAR 112 52.559 35.561 55.509 551 HB3 DAR 112 HB1 DAR 112 52.978 34.008 56.286 552 HG2 DAR 112 HG2 DAR 112 50.863 33.362 56.539 553 HG3 DAR 112 HG1 DAR 112 50.155 34.886 56.615 554 HD2 DAR 112 HD2 DAR 112 50.721 35.255 54.116 555 HD3 DAR 112 HD1 DAR 112 51.233 33.611 54.058 556 HE DAR 112 HE DAR 112 48.425 34.380 54.293 557 HH11 DAR 112 1HH2 DAR 112 46.968 32.643 54.038 558 HH12 DAR 112 2HH2 DAR 112 47.517 31.122 53.697 559 HH21 DAR 112 1HH1 DAR 112 50.842 31.606 54.465 560 HH22 DAR 112 2HH1 DAR 112 49.501 30.558 53.979 Start of MODEL 8 1 H1 ASP 1 H1 ASP 1 69.653 39.651 56.301 2 H2 ASP 1 H2 ASP 1 69.397 40.792 55.108 3 H3 ASP 1 H3 ASP 1 70.084 39.386 54.739 4 HA ASP 1 HA ASP 1 71.901 40.996 54.685 5 HB2 ASP 1 HB2 ASP 1 72.253 42.632 56.616 6 HB3 ASP 1 HB1 ASP 1 70.612 42.723 55.806 7 H ALA 2 H ALA 2 73.863 40.819 54.988 8 HA ALA 2 HA ALA 2 74.648 38.291 56.095 9 HB1 ALA 2 HB1 ALA 2 76.697 40.456 55.609 10 HB2 ALA 2 HB2 ALA 2 76.846 38.725 55.411 11 HB3 ALA 2 HB3 ALA 2 75.814 39.561 54.322 12 H GLU 3 H GLU 3 75.710 37.634 57.688 13 HA GLU 3 HA GLU 3 75.032 38.469 60.278 14 HB2 GLU 3 HB2 GLU 3 75.637 36.184 59.412 15 HB3 GLU 3 HB1 GLU 3 77.305 36.489 59.625 16 HG2 GLU 3 HG2 GLU 3 76.676 35.169 61.395 17 HG3 GLU 3 HG1 GLU 3 76.980 36.786 62.119 18 H PHE 4 H PHE 4 78.067 39.395 58.849 19 HA PHE 4 HA PHE 4 79.209 40.165 61.369 20 HB2 PHE 4 HB2 PHE 4 81.087 40.784 59.980 21 HB3 PHE 4 HB1 PHE 4 80.489 39.275 59.460 22 HD1 PHE 4 HD1 PHE 4 79.599 38.781 57.217 23 HD2 PHE 4 HD2 PHE 4 80.562 42.803 58.561 24 HE1 PHE 4 HE1 PHE 4 79.229 39.587 54.946 25 HE2 PHE 4 HE2 PHE 4 80.353 43.547 56.290 26 HZ PHE 4 HZ PHE 4 79.593 42.132 54.421 27 H ARG 5 H ARG 5 76.969 41.593 59.369 28 HA ARG 5 HA ARG 5 77.680 44.389 59.539 29 HB2 ARG 5 HB2 ARG 5 74.978 42.990 58.938 30 HB3 ARG 5 HB1 ARG 5 75.280 44.715 58.706 31 HG2 ARG 5 HG2 ARG 5 77.103 44.287 57.191 32 HG3 ARG 5 HG1 ARG 5 76.678 42.576 57.228 33 HD2 ARG 5 HD2 ARG 5 75.726 43.351 55.157 34 HD3 ARG 5 HD1 ARG 5 74.411 43.216 56.340 35 HE ARG 5 HE ARG 5 75.234 45.840 56.619 36 HH11 ARG 5 1HH1 ARG 5 73.927 43.943 53.946 37 HH12 ARG 5 2HH1 ARG 5 73.015 45.290 53.350 38 HH21 ARG 5 1HH2 ARG 5 74.135 47.461 55.820 39 HH22 ARG 5 2HH2 ARG 5 73.071 47.152 54.386 40 H HIS 6 H HIS 6 76.708 46.135 60.581 41 HA HIS 6 HA HIS 6 74.687 45.553 62.725 42 HB2 HIS 6 HB2 HIS 6 76.784 45.724 63.711 43 HB3 HIS 6 HB1 HIS 6 77.156 47.349 63.038 44 HD2 HIS 6 HD2 HIS 6 76.062 45.856 66.263 45 HE1 HIS 6 HE1 HIS 6 74.685 49.869 66.166 46 HE2 HIS 6 HE2 HIS 6 74.888 47.796 67.688 47 H ASP 7 H ASP 7 75.797 47.579 60.231 48 HA ASP 7 HA ASP 7 74.279 49.918 60.627 49 HB2 ASP 7 HB2 ASP 7 74.937 50.452 58.254 50 HB3 ASP 7 HB1 ASP 7 76.243 49.694 59.221 51 H SER 8 H SER 8 72.964 46.970 59.984 52 HA SER 8 HA SER 8 71.772 47.395 57.401 53 HB2 SER 8 HB2 SER 8 70.806 45.062 57.611 54 HB3 SER 8 HB1 SER 8 72.530 45.100 57.708 55 HG SER 8 HG SER 8 71.648 43.783 59.376 56 H GLY 9 H GLY 9 70.752 48.316 60.256 57 HA2 GLY 9 HA2 GLY 9 67.942 48.017 60.512 58 HA3 GLY 9 HA1 GLY 9 68.882 49.232 61.223 59 H TYR 10 H TYR 10 66.270 49.844 60.144 60 HA TYR 10 HA TYR 10 66.933 51.313 57.632 61 HB2 TYR 10 HB2 TYR 10 64.390 50.412 58.967 62 HB3 TYR 10 HB1 TYR 10 64.315 51.430 57.639 63 HD1 TYR 10 HD1 TYR 10 65.425 47.903 58.712 64 HD2 TYR 10 HD2 TYR 10 64.775 50.691 55.489 65 HE1 TYR 10 HE1 TYR 10 65.299 46.093 57.051 66 HE2 TYR 10 HE2 TYR 10 64.847 48.839 53.793 67 HH TYR 10 HH TYR 10 65.246 46.537 53.626 68 H GLU 11 H GLU 11 64.495 52.323 59.956 69 HA GLU 11 HA GLU 11 65.835 54.693 60.956 70 HB2 GLU 11 HB2 GLU 11 64.691 55.539 58.857 71 HB3 GLU 11 HB1 GLU 11 63.098 54.988 59.513 72 HG2 GLU 11 HG2 GLU 11 63.527 57.331 59.739 73 HG3 GLU 11 HG1 GLU 11 63.373 56.689 61.223 74 H VAL 12 H VAL 12 64.450 55.538 62.751 75 HA VAL 12 HA VAL 12 62.988 53.660 64.215 76 HB VAL 12 HB VAL 12 62.160 55.816 65.661 77 HG11 VAL 12 1HG1 VAL 12 65.215 55.405 65.118 78 HG12 VAL 12 2HG1 VAL 12 64.399 55.762 66.629 79 HG13 VAL 12 3HG1 VAL 12 64.310 54.223 65.911 80 HG21 VAL 12 1HG2 VAL 12 64.025 57.368 63.806 81 HG22 VAL 12 2HG2 VAL 12 62.277 57.352 63.589 82 HG23 VAL 12 3HG2 VAL 12 62.961 57.835 65.051 83 H HIS 13 H HIS 13 60.653 53.751 64.989 84 HA HIS 13 HA HIS 13 58.499 53.479 64.572 85 HB2 HIS 13 HB2 HIS 13 58.711 55.925 62.610 86 HB3 HIS 13 HB1 HIS 13 57.327 55.471 63.536 87 HD2 HIS 13 HD2 HIS 13 60.300 57.815 64.308 88 HE1 HIS 13 HE1 HIS 13 57.616 57.463 67.654 89 HE2 HIS 13 HE2 HIS 13 59.756 58.773 66.553 90 H HIS 14 H HIS 14 60.387 53.504 61.738 91 HA HIS 14 HA HIS 14 58.478 52.908 59.858 92 HB2 HIS 14 HB2 HIS 14 61.229 51.664 60.100 93 HB3 HIS 14 HB1 HIS 14 60.165 51.424 58.771 94 HD2 HIS 14 HD2 HIS 14 59.732 55.049 59.858 95 HE1 HIS 14 HE1 HIS 14 61.980 55.066 56.270 96 HE2 HIS 14 HE2 HIS 14 60.822 56.466 57.901 97 H GLN 15 H GLN 15 59.671 50.335 61.949 98 HA GLN 15 HA GLN 15 58.451 48.189 60.722 99 HB2 GLN 15 HB2 GLN 15 58.598 47.129 62.789 100 HB3 GLN 15 HB1 GLN 15 60.083 48.085 62.513 101 HG2 GLN 15 HG2 GLN 15 57.727 48.452 64.464 102 HG3 GLN 15 HG1 GLN 15 59.381 47.998 64.812 103 HE21 GLN 15 1HE2 GLN 15 61.267 49.612 64.282 104 HE22 GLN 15 2HE2 GLN 15 60.760 51.022 64.925 105 H LYS 16 H LYS 16 56.573 50.782 62.252 106 HA LYS 16 HA LYS 16 54.342 49.672 63.433 107 HB2 LYS 16 HB2 LYS 16 54.732 52.077 61.514 108 HB3 LYS 16 HB1 LYS 16 53.176 51.720 62.217 109 HG2 LYS 16 HG2 LYS 16 53.898 52.228 64.435 110 HG3 LYS 16 HG1 LYS 16 55.621 52.063 64.000 111 HD2 LYS 16 HD2 LYS 16 54.992 54.337 62.678 112 HD3 LYS 16 HD1 LYS 16 53.430 54.148 63.316 113 HE2 LYS 16 HE2 LYS 16 54.325 54.183 65.582 114 HE3 LYS 16 HE1 LYS 16 55.992 54.411 64.835 115 HZ1 LYS 16 HZ1 LYS 16 55.086 56.527 64.005 116 HZ2 LYS 16 HZ2 LYS 16 53.610 56.262 64.770 117 HZ3 LYS 16 HZ3 LYS 16 54.995 56.495 65.619 118 H LEU 17 H LEU 17 55.160 49.956 59.772 119 HA LEU 17 HA LEU 17 52.534 49.058 59.011 120 HB2 LEU 17 HB2 LEU 17 53.946 50.208 57.454 121 HB3 LEU 17 HB1 LEU 17 55.175 48.981 57.540 122 HG LEU 17 HG LEU 17 53.512 47.377 56.437 123 HD11 LEU 17 1HD1 LEU 17 51.877 49.908 56.215 124 HD12 LEU 17 2HD1 LEU 17 51.656 48.391 55.323 125 HD13 LEU 17 3HD1 LEU 17 51.379 48.447 57.105 126 HD21 LEU 17 1HD2 LEU 17 53.847 49.773 54.864 127 HD22 LEU 17 2HD2 LEU 17 55.229 48.647 54.865 128 HD23 LEU 17 3HD2 LEU 17 53.629 48.137 54.171 129 H VAL 18 H VAL 18 55.478 47.039 59.578 130 HA VAL 18 HA VAL 18 54.262 44.595 58.898 131 HB VAL 18 HB VAL 18 56.448 45.044 61.062 132 HG11 VAL 18 1HG1 VAL 18 56.788 42.667 60.974 133 HG12 VAL 18 2HG1 VAL 18 55.098 43.011 61.205 134 HG13 VAL 18 3HG1 VAL 18 55.687 42.426 59.707 135 HG21 VAL 18 1HG2 VAL 18 57.265 45.716 58.708 136 HG22 VAL 18 2HG2 VAL 18 58.092 44.250 59.499 137 HG23 VAL 18 3HG2 VAL 18 56.910 43.960 58.264 138 H PHE 19 H PHE 19 54.625 45.924 62.310 139 HA PHE 19 HA PHE 19 52.827 44.079 63.294 140 HB2 PHE 19 HB2 PHE 19 53.127 46.886 64.281 141 HB3 PHE 19 HB1 PHE 19 52.401 45.619 65.206 142 HD1 PHE 19 HD1 PHE 19 54.117 43.315 65.048 143 HD2 PHE 19 HD2 PHE 19 55.488 47.438 64.961 144 HE1 PHE 19 HE1 PHE 19 56.360 42.625 65.765 145 HE2 PHE 19 HE2 PHE 19 57.567 46.696 65.995 146 HZ PHE 19 HZ PHE 19 57.984 44.288 66.364 147 H PHE 20 H PHE 20 51.739 46.820 61.320 148 HA PHE 20 HA PHE 20 48.923 46.667 61.969 149 HB2 PHE 20 HB2 PHE 20 50.121 48.650 60.843 150 HB3 PHE 20 HB1 PHE 20 50.297 47.608 59.470 151 HD1 PHE 20 HD1 PHE 20 48.342 47.502 58.006 152 HD2 PHE 20 HD2 PHE 20 47.663 49.201 61.886 153 HE1 PHE 20 HE1 PHE 20 45.993 47.976 57.435 154 HE2 PHE 20 HE2 PHE 20 45.479 49.814 61.322 155 HZ PHE 20 HZ PHE 20 44.610 49.365 58.857 156 H ALA 21 H ALA 21 51.026 45.238 59.561 157 HA ALA 21 HA ALA 21 48.944 44.028 57.918 158 HB1 ALA 21 HB1 ALA 21 51.898 43.535 58.268 159 HB2 ALA 21 HB2 ALA 21 51.090 42.964 56.795 160 HB3 ALA 21 HB3 ALA 21 51.201 44.667 57.198 161 H GLU 22 H GLU 22 51.126 43.045 60.703 162 HA GLU 22 HA GLU 22 50.004 40.428 61.081 163 HB2 GLU 22 HB2 GLU 22 51.573 42.317 62.912 164 HB3 GLU 22 HB1 GLU 22 51.106 40.579 63.020 165 HG2 GLU 22 HG2 GLU 22 52.828 41.757 60.824 166 HG3 GLU 22 HG1 GLU 22 53.387 40.907 62.322 167 H ASP 23 H ASP 23 48.856 43.611 62.615 168 HA ASP 23 HA ASP 23 46.594 42.156 63.841 169 HB2 ASP 23 HB2 ASP 23 46.846 44.973 62.702 170 HB3 ASP 23 HB1 ASP 23 45.363 44.405 63.514 171 H VAL 24 H VAL 24 47.022 43.346 60.279 172 HA VAL 24 HA VAL 24 44.352 42.932 59.314 173 HB VAL 24 HB VAL 24 46.981 42.948 57.922 174 HG11 VAL 24 1HG1 VAL 24 45.799 43.385 55.751 175 HG12 VAL 24 2HG1 VAL 24 45.557 41.868 56.266 176 HG13 VAL 24 3HG1 VAL 24 44.223 42.978 56.453 177 HG21 VAL 24 1HG2 VAL 24 44.728 44.983 58.028 178 HG22 VAL 24 2HG2 VAL 24 46.193 45.034 58.986 179 HG23 VAL 24 3HG2 VAL 24 46.404 45.103 57.261 180 H GLY 25 H GLY 25 47.074 40.897 59.887 181 HA2 GLY 25 HA2 GLY 25 45.885 38.388 59.920 182 HA3 GLY 25 HA1 GLY 25 46.059 38.572 58.154 183 H SER 26 H SER 26 48.383 39.526 57.745 184 HA SER 26 HA SER 26 50.760 38.833 58.982 185 HB2 SER 26 HB2 SER 26 50.304 36.425 58.773 186 HB3 SER 26 HB1 SER 26 49.592 36.663 57.261 187 HG SER 26 HG SER 26 52.252 36.982 58.023 188 H ASN 27 H ASN 27 52.385 39.671 57.978 189 HA ASN 27 HA ASN 27 51.994 41.454 55.818 190 HB2 ASN 27 HB2 ASN 27 53.996 42.259 56.732 191 HB3 ASN 27 HB1 ASN 27 53.538 41.207 58.069 192 HD21 ASN 27 1HD2 ASN 27 55.993 41.316 55.235 193 HD22 ASN 27 2HD2 ASN 27 56.861 39.973 55.881 194 H LYS 28 H LYS 28 53.271 38.215 56.012 195 HA LYS 28 HA LYS 28 54.247 38.083 53.260 196 HB2 LYS 28 HB2 LYS 28 53.550 35.854 55.268 197 HB3 LYS 28 HB1 LYS 28 54.020 35.490 53.560 198 HG2 LYS 28 HG2 LYS 28 56.178 36.566 53.668 199 HG3 LYS 28 HG1 LYS 28 55.677 37.044 55.377 200 HD2 LYS 28 HD2 LYS 28 55.510 34.507 55.946 201 HD3 LYS 28 HD1 LYS 28 55.965 34.232 54.244 202 HE2 LYS 28 HE2 LYS 28 58.189 35.637 54.927 203 HE3 LYS 28 HE1 LYS 28 57.648 35.271 56.547 204 HZ1 LYS 28 HZ1 LYS 28 57.750 32.898 56.056 205 HZ2 LYS 28 HZ2 LYS 28 57.954 33.062 54.397 206 HZ3 LYS 28 HZ3 LYS 28 59.139 33.439 55.432 207 H GLY 29 H GLY 29 51.268 37.560 54.920 208 HA2 GLY 29 HA2 GLY 29 49.747 36.336 52.678 209 HA3 GLY 29 HA1 GLY 29 49.142 36.877 54.194 210 H ALA 30 H ALA 30 50.034 39.649 53.972 211 HA ALA 30 HA ALA 30 48.362 41.062 52.101 212 HB1 ALA 30 HB1 ALA 30 49.141 42.215 54.020 213 HB2 ALA 30 HB2 ALA 30 50.808 41.656 53.650 214 HB3 ALA 30 HB3 ALA 30 50.038 42.867 52.674 215 H ILE 31 H ILE 31 52.025 40.419 51.889 216 HA ILE 31 HA ILE 31 52.027 41.312 49.195 217 HB ILE 31 HB ILE 31 53.726 39.465 50.626 218 HG12 ILE 31 2HG1 ILE 31 53.999 41.581 51.695 219 HG13 ILE 31 1HG1 ILE 31 55.498 41.270 50.602 220 HG21 ILE 31 1HG2 ILE 31 55.680 40.036 48.980 221 HG22 ILE 31 2HG2 ILE 31 54.339 38.861 48.443 222 HG23 ILE 31 3HG2 ILE 31 54.200 40.552 47.892 223 HD11 ILE 31 HD1 ILE 31 53.230 43.162 49.708 224 HD12 ILE 31 HD2 ILE 31 54.749 43.650 50.383 225 HD13 ILE 31 HD3 ILE 31 54.711 42.728 48.938 226 H ILE 32 H ILE 32 51.714 37.898 50.071 227 HA ILE 32 HA ILE 32 51.633 37.010 47.295 228 HB ILE 32 HB ILE 32 50.144 35.698 49.746 229 HG12 ILE 32 2HG1 ILE 32 52.794 34.795 48.428 230 HG13 ILE 32 1HG1 ILE 32 52.625 35.840 49.916 231 HG21 ILE 32 1HG2 ILE 32 50.848 34.290 47.275 232 HG22 ILE 32 2HG2 ILE 32 49.662 33.852 48.596 233 HG23 ILE 32 3HG2 ILE 32 49.247 35.087 47.307 234 HD11 ILE 32 HD1 ILE 32 51.502 32.891 49.535 235 HD12 ILE 32 HD2 ILE 32 52.857 33.354 50.476 236 HD13 ILE 32 HD3 ILE 32 51.291 34.014 51.007 237 H GLY 33 H GLY 33 49.048 38.096 49.461 238 HA2 GLY 33 HA2 GLY 33 46.844 37.890 47.532 239 HA3 GLY 33 HA1 GLY 33 47.022 39.137 48.832 240 H LEU 34 H LEU 34 48.853 40.703 48.126 241 HA LEU 34 HA LEU 34 47.752 42.170 46.028 242 HB2 LEU 34 HB2 LEU 34 49.328 42.994 47.920 243 HB3 LEU 34 HB1 LEU 34 50.727 42.512 46.935 244 HG LEU 34 HG LEU 34 48.589 44.205 45.503 245 HD11 LEU 34 1HD1 LEU 34 48.289 45.120 47.799 246 HD12 LEU 34 2HD1 LEU 34 50.173 45.332 47.786 247 HD13 LEU 34 3HD1 LEU 34 49.119 46.272 46.677 248 HD21 LEU 34 1HD2 LEU 34 50.547 45.676 45.060 249 HD22 LEU 34 2HD2 LEU 34 51.576 44.685 46.062 250 HD23 LEU 34 3HD2 LEU 34 50.812 43.977 44.614 251 H MET 35 H MET 35 50.085 39.619 45.766 252 HA MET 35 HA MET 35 51.019 40.386 43.046 253 HB2 MET 35 HB2 MET 35 51.727 37.971 44.753 254 HB3 MET 35 HB1 MET 35 52.470 38.441 43.208 255 HG2 MET 35 HG2 MET 35 52.667 40.057 45.711 256 HG3 MET 35 HG1 MET 35 53.983 38.955 45.119 257 HE1 MET 35 HE1 MET 35 52.018 42.043 44.178 258 HE2 MET 35 HE2 MET 35 53.165 42.599 45.515 259 HE3 MET 35 HE3 MET 35 53.378 43.141 43.869 260 H VAL 36 H VAL 36 48.902 37.844 44.613 261 HA VAL 36 HA VAL 36 48.098 36.571 42.042 262 HB VAL 36 HB VAL 36 46.586 36.745 44.758 263 HG11 VAL 36 1HG1 VAL 36 46.522 34.709 42.346 264 HG12 VAL 36 2HG1 VAL 36 45.400 34.839 43.767 265 HG13 VAL 36 3HG1 VAL 36 45.296 35.985 42.563 266 HG21 VAL 36 1HG2 VAL 36 47.560 34.334 44.717 267 HG22 VAL 36 2HG2 VAL 36 48.672 34.952 43.641 268 HG23 VAL 36 3HG2 VAL 36 48.576 35.680 45.198 269 H GLY 37 H GLY 37 46.907 39.510 43.933 270 HA2 GLY 37 HA2 GLY 37 44.823 40.528 42.252 271 HA3 GLY 37 HA1 GLY 37 45.930 41.409 43.243 272 H GLY 38 H GLY 38 48.287 41.030 41.992 273 HA2 GLY 38 HA2 GLY 38 48.504 42.412 39.533 274 HA3 GLY 38 HA1 GLY 38 49.650 41.103 40.060 275 H VAL 39 H VAL 39 48.572 38.926 39.887 276 HA VAL 39 HA VAL 39 48.417 38.123 37.182 277 HB VAL 39 HB VAL 39 47.715 36.641 39.577 278 HG11 VAL 39 1HG1 VAL 39 46.794 35.456 37.750 279 HG12 VAL 39 2HG1 VAL 39 48.323 35.503 36.811 280 HG13 VAL 39 3HG1 VAL 39 48.185 34.537 38.153 281 HG21 VAL 39 1HG2 VAL 39 50.215 37.292 39.704 282 HG22 VAL 39 2HG2 VAL 39 50.089 35.510 39.203 283 HG23 VAL 39 3HG2 VAL 39 50.386 36.817 38.038 284 H VAL 40 H VAL 40 45.803 38.816 39.387 285 HA VAL 40 HA VAL 40 43.694 37.932 37.492 286 HB VAL 40 HB VAL 40 43.803 39.487 40.118 287 HG11 VAL 40 1HG1 VAL 40 41.320 39.333 39.834 288 HG12 VAL 40 2HG1 VAL 40 41.955 40.691 39.004 289 HG13 VAL 40 3HG1 VAL 40 41.508 39.408 38.091 290 HG21 VAL 40 1HG2 VAL 40 42.674 37.552 40.872 291 HG22 VAL 40 2HG2 VAL 40 42.475 36.960 39.092 292 HG23 VAL 40 3HG2 VAL 40 43.986 37.081 39.932 293 H ILE 41 H ILE 41 45.310 41.125 38.274 294 HA ILE 41 HA ILE 41 43.782 42.730 36.375 295 HB ILE 41 HB ILE 41 46.385 42.991 37.929 296 HG12 ILE 41 2HG1 ILE 41 43.890 44.811 37.660 297 HG13 ILE 41 1HG1 ILE 41 43.965 43.405 38.827 298 HG21 ILE 41 1HG2 ILE 41 46.594 45.293 37.139 299 HG22 ILE 41 2HG2 ILE 41 47.187 44.094 36.014 300 HG23 ILE 41 3HG2 ILE 41 45.545 44.816 35.672 301 HD11 ILE 41 HD1 ILE 41 46.021 44.222 39.866 302 HD12 ILE 41 HD2 ILE 41 45.635 45.760 39.082 303 HD13 ILE 41 HD3 ILE 41 44.443 45.252 40.127 304 H ALA 42 H ALA 42 46.910 40.957 36.160 305 HA ALA 42 HA ALA 42 47.301 41.612 33.457 306 HB1 ALA 42 HB1 ALA 42 48.337 39.262 35.033 307 HB2 ALA 42 HB2 ALA 42 49.114 39.788 33.657 308 HB3 ALA 42 HB3 ALA 42 48.951 40.852 35.095 309 H THR 43 H THR 43 45.446 38.986 34.935 310 HA THR 43 HA THR 43 44.908 37.512 32.474 311 HB THR 43 HB THR 43 43.150 37.693 34.957 312 HG1 THR 43 HG1 THR 43 45.125 37.026 35.473 313 HG21 THR 43 1HG2 THR 43 43.240 35.804 32.627 314 HG22 THR 43 2HG2 THR 43 42.589 35.367 34.206 315 HG23 THR 43 3HG2 THR 43 41.815 36.641 33.318 316 H VAL 44 H VAL 44 43.077 40.248 34.001 317 HA VAL 44 HA VAL 44 41.235 40.552 31.897 318 HB VAL 44 HB VAL 44 42.271 42.744 33.691 319 HG11 VAL 44 1HG1 VAL 44 40.293 43.955 33.071 320 HG12 VAL 44 2HG1 VAL 44 41.274 43.690 31.648 321 HG13 VAL 44 3HG1 VAL 44 39.789 42.759 31.991 322 HG21 VAL 44 1HG2 VAL 44 40.251 40.649 33.923 323 HG22 VAL 44 2HG2 VAL 44 41.283 41.364 35.091 324 HG23 VAL 44 3HG2 VAL 44 39.965 42.231 34.668 325 H ILE 45 H ILE 45 44.577 41.963 32.132 326 HA ILE 45 HA ILE 45 44.336 43.668 29.732 327 HB ILE 45 HB ILE 45 46.747 42.605 31.417 328 HG12 ILE 45 2HG1 ILE 45 45.676 45.505 31.219 329 HG13 ILE 45 1HG1 ILE 45 45.089 44.201 32.408 330 HG21 ILE 45 1HG2 ILE 45 47.753 43.033 29.289 331 HG22 ILE 45 2HG2 ILE 45 46.847 44.608 29.088 332 HG23 ILE 45 3HG2 ILE 45 47.986 44.518 30.285 333 HD11 ILE 45 HD1 ILE 45 46.652 45.680 33.347 334 HD12 ILE 45 HD2 ILE 45 47.451 44.215 33.351 335 HD13 ILE 45 HD3 ILE 45 47.947 45.392 32.147 336 H VAL 46 H VAL 46 45.877 40.348 30.341 337 HA VAL 46 HA VAL 46 46.697 40.108 27.590 338 HB VAL 46 HB VAL 46 46.182 38.178 29.860 339 HG11 VAL 46 1HG1 VAL 46 45.464 36.845 27.881 340 HG12 VAL 46 2HG1 VAL 46 47.100 37.409 27.072 341 HG13 VAL 46 3HG1 VAL 46 47.079 36.448 28.529 342 HG21 VAL 46 1HG2 VAL 46 48.669 38.915 28.194 343 HG22 VAL 46 2HG2 VAL 46 48.345 39.518 29.795 344 HG23 VAL 46 3HG2 VAL 46 48.645 37.746 29.602 345 H ILE 47 H ILE 47 43.642 39.050 29.110 346 HA ILE 47 HA ILE 47 42.517 37.866 26.680 347 HB ILE 47 HB ILE 47 41.521 39.175 29.230 348 HG12 ILE 47 2HG1 ILE 47 41.275 36.282 28.433 349 HG13 ILE 47 1HG1 ILE 47 42.631 36.931 29.569 350 HG21 ILE 47 1HG2 ILE 47 39.723 37.939 27.143 351 HG22 ILE 47 2HG2 ILE 47 39.209 38.538 28.697 352 HG23 ILE 47 3HG2 ILE 47 39.869 39.640 27.539 353 HD11 ILE 47 HD1 ILE 47 40.865 38.012 31.018 354 HD12 ILE 47 HD2 ILE 47 39.725 36.890 30.413 355 HD13 ILE 47 HD3 ILE 47 41.242 36.245 31.087 356 H THR 48 H THR 48 42.112 41.265 28.018 357 HA THR 48 HA THR 48 40.692 42.243 25.737 358 HB THR 48 HB THR 48 42.513 43.917 27.343 359 HG1 THR 48 HG1 THR 48 41.182 43.215 28.951 360 HG21 THR 48 1HG2 THR 48 40.594 45.589 26.860 361 HG22 THR 48 2HG2 THR 48 41.998 45.347 25.698 362 HG23 THR 48 3HG2 THR 48 40.427 44.449 25.565 363 H LEU 49 H LEU 49 44.205 41.934 26.002 364 HA LEU 49 HA LEU 49 44.699 43.186 23.478 365 HB2 LEU 49 HB2 LEU 49 46.017 41.507 25.421 366 HB3 LEU 49 HB1 LEU 49 46.998 41.764 23.900 367 HG LEU 49 HG LEU 49 45.991 43.859 26.043 368 HD11 LEU 49 1HD1 LEU 49 48.417 43.771 26.868 369 HD12 LEU 49 2HD1 LEU 49 47.563 42.264 27.073 370 HD13 LEU 49 3HD1 LEU 49 48.752 42.638 25.601 371 HD21 LEU 49 1HD2 LEU 49 47.705 44.170 23.460 372 HD22 LEU 49 2HD2 LEU 49 46.392 45.249 24.242 373 HD23 LEU 49 3HD2 LEU 49 48.067 45.146 24.995 374 H VAL 50 H VAL 50 44.402 39.782 24.348 375 HA VAL 50 HA VAL 50 44.583 38.836 21.614 376 HB VAL 50 HB VAL 50 43.251 37.490 24.034 377 HG11 VAL 50 1HG1 VAL 50 43.906 35.401 22.537 378 HG12 VAL 50 2HG1 VAL 50 42.701 36.497 21.878 379 HG13 VAL 50 3HG1 VAL 50 44.494 36.612 21.304 380 HG21 VAL 50 1HG2 VAL 50 45.137 36.196 24.485 381 HG22 VAL 50 2HG2 VAL 50 46.015 37.010 23.090 382 HG23 VAL 50 3HG2 VAL 50 45.575 37.857 24.526 383 H MET 51 H MET 51 41.666 39.846 23.421 384 HA MET 51 HA MET 51 39.975 39.285 21.518 385 HB2 MET 51 HB2 MET 51 39.655 41.543 23.462 386 HB3 MET 51 HB1 MET 51 38.379 40.871 22.307 387 HG2 MET 51 HG2 MET 51 38.083 39.108 23.332 388 HG3 MET 51 HG1 MET 51 39.688 39.044 24.215 389 HE1 MET 51 HE1 MET 51 35.937 40.041 24.284 390 HE2 MET 51 HE2 MET 51 36.007 41.646 25.026 391 HE3 MET 51 HE3 MET 51 36.705 41.404 23.394 392 H LEU 52 H LEU 52 41.930 42.262 21.886 393 HA LEU 52 HA LEU 52 40.923 43.644 19.648 394 HB2 LEU 52 HB2 LEU 52 43.376 43.711 21.370 395 HB3 LEU 52 HB1 LEU 52 43.315 44.674 19.897 396 HG LEU 52 HG LEU 52 41.165 44.755 22.051 397 HD11 LEU 52 1HD1 LEU 52 43.345 45.015 23.196 398 HD12 LEU 52 2HD1 LEU 52 43.788 46.146 21.943 399 HD13 LEU 52 3HD1 LEU 52 42.541 46.613 22.946 400 HD21 LEU 52 1HD2 LEU 52 40.737 46.971 20.988 401 HD22 LEU 52 2HD2 LEU 52 42.100 46.596 19.857 402 HD23 LEU 52 3HD2 LEU 52 40.634 45.745 19.784 403 H LYS 53 H LYS 53 43.510 41.380 19.905 404 HA LYS 53 HA LYS 53 44.527 41.511 17.283 405 HB2 LYS 53 HB2 LYS 53 45.512 40.288 19.463 406 HB3 LYS 53 HB1 LYS 53 44.652 38.881 18.939 407 HG2 LYS 53 HG2 LYS 53 45.854 39.043 16.645 408 HG3 LYS 53 HG1 LYS 53 46.774 40.426 17.283 409 HD2 LYS 53 HD2 LYS 53 47.593 38.985 19.117 410 HD3 LYS 53 HD1 LYS 53 47.159 37.661 18.139 411 HE2 LYS 53 HE2 LYS 53 48.247 38.756 16.182 412 HE3 LYS 53 HE1 LYS 53 49.036 39.872 17.233 413 HZ1 LYS 53 HZ1 LYS 53 50.498 38.115 16.934 414 HZ2 LYS 53 HZ2 LYS 53 49.938 38.044 18.557 415 HZ3 LYS 53 HZ3 LYS 53 49.359 37.102 17.461 416 H LYS 54 H LYS 54 41.740 39.737 18.471 417 HA LYS 54 HA LYS 54 41.545 38.239 15.811 418 HB2 LYS 54 HB2 LYS 54 39.654 38.564 18.241 419 HB3 LYS 54 HB1 LYS 54 39.497 37.538 16.929 420 HG2 LYS 54 HG2 LYS 54 41.673 36.214 17.407 421 HG3 LYS 54 HG1 LYS 54 41.650 37.154 18.976 422 HD2 LYS 54 HD2 LYS 54 39.471 36.314 19.458 423 HD3 LYS 54 HD1 LYS 54 39.479 35.304 17.776 424 HE2 LYS 54 HE2 LYS 54 41.431 34.772 20.148 425 HE3 LYS 54 HE1 LYS 54 40.112 33.854 19.779 426 HZ1 LYS 54 HZ1 LYS 54 42.397 34.328 17.918 427 HZ2 LYS 54 HZ2 LYS 54 41.887 32.927 18.651 428 HZ3 LYS 54 HZ3 LYS 54 40.922 33.560 17.541 429 H LYS 55 H LYS 55 40.695 41.454 16.837 430 HA LYS 55 HA LYS 55 38.439 41.820 15.126 431 HB2 LYS 55 HB2 LYS 55 39.399 43.468 16.922 432 HB3 LYS 55 HB1 LYS 55 40.382 44.088 15.741 433 HG2 LYS 55 HG2 LYS 55 38.188 44.715 14.275 434 HG3 LYS 55 HG1 LYS 55 37.467 44.336 15.828 435 HD2 LYS 55 HD2 LYS 55 39.093 45.902 17.058 436 HD3 LYS 55 HD1 LYS 55 39.764 46.269 15.487 437 HE2 LYS 55 HE2 LYS 55 37.559 47.109 14.906 438 HE3 LYS 55 HE1 LYS 55 37.097 47.010 16.669 439 HZ1 LYS 55 HZ1 LYS 55 39.093 48.658 15.228 440 HZ2 LYS 55 HZ2 LYS 55 38.072 49.289 16.336 441 HZ3 LYS 55 HZ3 LYS 55 39.398 48.451 16.886 442 H1 DAR 101 H1 DAR 101 69.252 39.703 60.155 443 H2 DAR 101 H2 DAR 101 68.008 40.630 60.535 444 H3 DAR 101 H3 DAR 101 69.102 41.025 59.321 445 HA DAR 101 HA DAR 101 70.746 41.631 60.864 446 HB2 DAR 101 HB2 DAR 101 70.565 41.237 63.408 447 HB3 DAR 101 HB1 DAR 101 69.079 40.396 63.078 448 HG2 DAR 101 HG2 DAR 101 70.278 38.552 61.864 449 HG3 DAR 101 HG1 DAR 101 71.669 39.656 61.922 450 HD2 DAR 101 HD2 DAR 101 72.173 39.326 64.138 451 HD3 DAR 101 HD1 DAR 101 70.559 38.740 64.564 452 HE DAR 101 HE DAR 101 72.790 37.267 63.184 453 HH11 DAR 101 1HH2 DAR 101 69.429 36.883 64.317 454 HH12 DAR 101 2HH2 DAR 101 69.547 35.180 63.741 455 HH21 DAR 101 1HH1 DAR 101 72.737 35.245 62.962 456 HH22 DAR 101 2HH1 DAR 101 71.322 34.282 63.526 457 HA DPR 102 HA DPR 102 69.288 45.416 61.082 458 HB2 DPR 102 HB2 DPR 102 69.941 45.615 64.048 459 HB3 DPR 102 HB1 DPR 102 70.262 46.962 63.005 460 HG2 DPR 102 HG2 DPR 102 72.411 45.384 63.401 461 HG3 DPR 102 HG1 DPR 102 71.922 45.356 61.761 462 HD2 DPR 102 HD2 DPR 102 70.981 43.442 63.917 463 HD3 DPR 102 HD1 DPR 102 71.696 43.062 62.272 464 H DAR 103 H DAR 103 67.918 44.011 63.905 465 HA DAR 103 HA DAR 103 65.527 45.830 63.895 466 HB2 DAR 103 HB2 DAR 103 65.449 43.673 65.918 467 HB3 DAR 103 HB1 DAR 103 66.868 44.771 66.101 468 HG2 DAR 103 HG2 DAR 103 65.195 46.788 65.959 469 HG3 DAR 103 HG1 DAR 103 63.900 45.537 66.070 470 HD2 DAR 103 HD2 DAR 103 64.194 46.183 68.231 471 HD3 DAR 103 HD1 DAR 103 64.944 44.620 68.030 472 HE DAR 103 HE DAR 103 66.868 46.888 67.824 473 HH11 DAR 103 1HH2 DAR 103 68.571 46.844 69.356 474 HH12 DAR 103 2HH2 DAR 103 68.408 45.765 70.772 475 HH21 DAR 103 1HH1 DAR 103 65.300 44.656 70.187 476 HH22 DAR 103 2HH1 DAR 103 66.531 45.084 71.324 477 H 2TL 104 H 2TL 104 66.308 42.665 62.803 478 HA 2TL 104 HA 2TL 104 63.371 41.925 62.501 479 HB 2TL 104 HB 2TL 104 64.958 40.303 63.655 480 HG1 2TL 104 HG1 2TL 104 66.547 39.352 62.240 481 HG21 2TL 104 1HG2 2TL 104 63.141 39.234 62.116 482 HG22 2TL 104 2HG2 2TL 104 64.459 39.241 60.836 483 HG23 2TL 104 3HG2 2TL 104 64.608 38.392 62.393 484 H DAR 105 H DAR 105 66.312 42.527 60.491 485 HA DAR 105 HA DAR 105 65.793 41.554 58.010 486 HB2 DAR 105 HB2 DAR 105 66.687 44.261 58.720 487 HB3 DAR 105 HB1 DAR 105 67.613 42.837 58.674 488 HG2 DAR 105 HG2 DAR 105 67.513 42.593 56.247 489 HG3 DAR 105 HG1 DAR 105 66.090 43.659 56.208 490 HD2 DAR 105 HD2 DAR 105 67.671 45.531 57.079 491 HD3 DAR 105 HD1 DAR 105 68.944 44.325 56.871 492 HE DAR 105 HE DAR 105 67.723 44.417 54.447 493 HH11 DAR 105 1HH2 DAR 105 69.756 46.761 56.090 494 HH12 DAR 105 2HH2 DAR 105 70.706 47.116 54.672 495 HH21 DAR 105 1HH1 DAR 105 68.882 45.068 52.611 496 HH22 DAR 105 2HH1 DAR 105 70.285 46.084 52.995 497 H DLE 106 H DLE 106 64.245 44.766 58.896 498 HA DLE 106 HA DLE 106 62.384 45.000 56.883 499 HB2 DLE 106 HB2 DLE 106 62.090 45.656 59.789 500 HB3 DLE 106 HB1 DLE 106 62.914 46.642 58.648 501 HG DLE 106 HG DLE 106 59.861 46.198 58.508 502 HD11 DLE 106 1HD1 DLE 106 61.710 48.410 59.363 503 HD12 DLE 106 2HD1 DLE 106 59.961 48.650 59.008 504 HD13 DLE 106 3HD1 DLE 106 60.486 47.533 60.258 505 HD21 DLE 106 1HD2 DLE 106 61.762 47.782 56.700 506 HD22 DLE 106 2HD2 DLE 106 60.814 46.288 56.223 507 HD23 DLE 106 3HD2 DLE 106 60.046 47.856 56.639 508 H DHI 107 H DHI 107 62.222 42.689 59.487 509 HA DHI 107 HA DHI 107 59.324 42.156 59.164 510 HB2 DHI 107 HB2 DHI 107 59.471 40.780 60.992 511 HB3 DHI 107 HB1 DHI 107 61.207 41.041 61.184 512 HD2 DHI 107 HD2 DHI 107 62.065 43.510 61.872 513 HE1 DHI 107 HE1 DHI 107 58.475 44.735 63.624 514 HE2 DHI 107 HE2 DHI 107 60.889 45.295 63.520 515 H 2TL 108 H 2TL 108 62.168 41.045 57.919 516 HA 2TL 108 HA 2TL 108 60.932 38.517 56.875 517 HB 2TL 108 HB 2TL 108 63.723 38.376 58.224 518 HG1 2TL 108 HG1 2TL 108 63.818 36.701 57.108 519 HG21 2TL 108 1HG2 2TL 108 60.966 37.299 58.973 520 HG22 2TL 108 2HG2 2TL 108 62.418 36.694 59.700 521 HG23 2TL 108 3HG2 2TL 108 61.886 38.409 60.033 522 H DHI 109 H DHI 109 64.380 39.599 56.748 523 HA DHI 109 HA DHI 109 64.635 38.470 54.199 524 HB2 DHI 109 HB2 DHI 109 66.132 40.680 55.596 525 HB3 DHI 109 HB1 DHI 109 66.455 38.960 55.789 526 HD2 DHI 109 HD2 DHI 109 66.704 38.019 52.707 527 HE1 DHI 109 HE1 DHI 109 69.477 41.230 52.194 528 HE2 DHI 109 HE2 DHI 109 68.876 39.179 51.361 529 H DAR 110 H DAR 110 63.546 41.748 54.876 530 HA DAR 110 HA DAR 110 63.778 42.847 52.176 531 HB2 DAR 110 HB2 DAR 110 61.535 43.628 53.957 532 HB3 DAR 110 HB1 DAR 110 63.090 44.091 54.312 533 HG2 DAR 110 HG2 DAR 110 63.650 45.320 52.510 534 HG3 DAR 110 HG1 DAR 110 62.035 44.871 51.745 535 HD2 DAR 110 HD2 DAR 110 60.919 46.147 53.602 536 HD3 DAR 110 HD1 DAR 110 62.451 46.400 54.416 537 HE DAR 110 HE DAR 110 62.992 47.426 51.882 538 HH11 DAR 110 1HH2 DAR 110 60.037 48.052 53.748 539 HH12 DAR 110 2HH2 DAR 110 60.176 49.754 53.663 540 HH21 DAR 110 1HH1 DAR 110 61.596 50.555 52.058 541 HH22 DAR 110 2HH1 DAR 110 62.970 49.479 51.713 542 H DSG 111 H DSG 111 61.235 40.765 53.567 543 HA DSG 111 HA DSG 111 59.794 39.493 52.568 544 HB2 DSG 111 HB2 DSG 111 59.819 38.624 50.214 545 HB3 DSG 111 HB1 DSG 111 61.358 39.600 50.103 546 HD21 DSG 111 1HD2 DSG 111 63.163 38.841 51.636 547 HD22 DSG 111 2HD2 DSG 111 63.133 37.165 51.787 548 H DAR 112 H DAR 112 59.431 42.049 53.029 549 HA DAR 112 HA DAR 112 56.927 42.890 51.607 550 HB2 DAR 112 HB2 DAR 112 57.381 45.143 52.039 551 HB3 DAR 112 HB1 DAR 112 59.094 44.648 52.410 552 HG2 DAR 112 HG2 DAR 112 59.380 43.825 50.129 553 HG3 DAR 112 HG1 DAR 112 57.816 44.653 49.554 554 HD2 DAR 112 HD2 DAR 112 60.088 45.976 51.037 555 HD3 DAR 112 HD1 DAR 112 60.034 46.010 49.248 556 HE DAR 112 HE DAR 112 57.733 47.152 50.815 557 HH11 DAR 112 1HH2 DAR 112 60.874 48.036 49.678 558 HH12 DAR 112 2HH2 DAR 112 60.275 49.788 49.680 559 HH21 DAR 112 1HH1 DAR 112 57.211 49.135 50.403 560 HH22 DAR 112 2HH1 DAR 112 58.321 50.373 49.680 Start of MODEL 9 1 H1 ASP 1 H1 ASP 1 67.845 25.506 58.893 2 H2 ASP 1 H2 ASP 1 68.839 26.607 58.208 3 H3 ASP 1 H3 ASP 1 67.559 27.047 59.241 4 HA ASP 1 HA ASP 1 65.872 26.570 57.647 5 HB2 ASP 1 HB2 ASP 1 66.330 27.730 55.635 6 HB3 ASP 1 HB1 ASP 1 66.917 28.536 57.072 7 H ALA 2 H ALA 2 65.611 25.705 55.270 8 HA ALA 2 HA ALA 2 66.463 22.962 55.127 9 HB1 ALA 2 HB1 ALA 2 65.087 23.027 52.888 10 HB2 ALA 2 HB2 ALA 2 64.333 23.750 54.300 11 HB3 ALA 2 HB3 ALA 2 64.966 24.829 53.046 12 H GLU 3 H GLU 3 67.907 21.694 54.326 13 HA GLU 3 HA GLU 3 70.344 22.983 54.205 14 HB2 GLU 3 HB2 GLU 3 69.492 20.245 53.212 15 HB3 GLU 3 HB1 GLU 3 71.293 20.708 53.341 16 HG2 GLU 3 HG2 GLU 3 69.136 20.368 55.438 17 HG3 GLU 3 HG1 GLU 3 70.695 19.413 55.209 18 H PHE 4 H PHE 4 68.369 22.385 51.455 19 HA PHE 4 HA PHE 4 70.495 23.080 49.494 20 HB2 PHE 4 HB2 PHE 4 68.768 22.333 47.780 21 HB3 PHE 4 HB1 PHE 4 69.440 21.225 49.009 22 HD1 PHE 4 HD1 PHE 4 66.616 23.610 48.311 23 HD2 PHE 4 HD2 PHE 4 67.701 19.952 50.353 24 HE1 PHE 4 HE1 PHE 4 64.174 23.166 49.220 25 HE2 PHE 4 HE2 PHE 4 65.350 19.519 51.029 26 HZ PHE 4 HZ PHE 4 63.678 21.324 50.635 27 H ARG 5 H ARG 5 68.485 24.833 51.390 28 HA ARG 5 HA ARG 5 67.050 26.512 49.514 29 HB2 ARG 5 HB2 ARG 5 66.304 25.930 51.650 30 HB3 ARG 5 HB1 ARG 5 67.341 26.965 52.460 31 HG2 ARG 5 HG2 ARG 5 66.323 29.035 51.616 32 HG3 ARG 5 HG1 ARG 5 65.507 28.067 50.337 33 HD2 ARG 5 HD2 ARG 5 64.013 27.122 51.835 34 HD3 ARG 5 HD1 ARG 5 64.643 27.986 53.303 35 HE ARG 5 HE ARG 5 64.061 30.035 51.806 36 HH11 ARG 5 1HH1 ARG 5 61.667 27.513 52.605 37 HH12 ARG 5 2HH1 ARG 5 60.440 28.565 51.880 38 HH21 ARG 5 1HH2 ARG 5 62.412 31.100 50.991 39 HH22 ARG 5 2HH2 ARG 5 60.885 30.323 50.840 40 H HIS 6 H HIS 6 69.362 26.860 48.511 41 HA HIS 6 HA HIS 6 70.916 29.004 49.613 42 HB2 HIS 6 HB2 HIS 6 70.910 28.350 46.678 43 HB3 HIS 6 HB1 HIS 6 72.019 29.220 47.625 44 HD2 HIS 6 HD2 HIS 6 71.805 25.961 46.104 45 HE1 HIS 6 HE1 HIS 6 73.576 25.006 49.809 46 HE2 HIS 6 HE2 HIS 6 73.022 24.208 47.594 47 H ASP 7 H ASP 7 71.143 31.131 49.415 48 HA ASP 7 HA ASP 7 68.751 32.563 49.636 49 HB2 ASP 7 HB2 ASP 7 71.563 33.570 49.531 50 HB3 ASP 7 HB1 ASP 7 70.230 34.347 50.372 51 H SER 8 H SER 8 67.926 34.204 48.257 52 HA SER 8 HA SER 8 68.744 34.289 45.290 53 HB2 SER 8 HB2 SER 8 66.590 35.378 45.039 54 HB3 SER 8 HB1 SER 8 66.388 33.965 46.164 55 HG SER 8 HG SER 8 65.930 35.330 47.586 56 H GLY 9 H GLY 9 70.255 35.980 47.686 57 HA2 GLY 9 HA2 GLY 9 71.700 37.713 47.149 58 HA3 GLY 9 HA1 GLY 9 70.715 38.353 45.964 59 H TYR 10 H TYR 10 71.224 40.377 47.424 60 HA TYR 10 HA TYR 10 68.616 40.609 48.801 61 HB2 TYR 10 HB2 TYR 10 71.056 42.045 49.469 62 HB3 TYR 10 HB1 TYR 10 69.498 42.255 50.341 63 HD1 TYR 10 HD1 TYR 10 72.539 39.844 49.837 64 HD2 TYR 10 HD2 TYR 10 68.643 40.531 51.628 65 HE1 TYR 10 HE1 TYR 10 73.101 38.156 51.418 66 HE2 TYR 10 HE2 TYR 10 69.164 38.513 53.226 67 HH TYR 10 HH TYR 10 72.040 36.565 52.775 68 H GLU 11 H GLU 11 67.546 42.587 48.715 69 HA GLU 11 HA GLU 11 67.511 43.825 46.010 70 HB2 GLU 11 HB2 GLU 11 65.794 44.480 48.466 71 HB3 GLU 11 HB1 GLU 11 65.367 44.730 46.741 72 HG2 GLU 11 HG2 GLU 11 64.092 42.968 47.120 73 HG3 GLU 11 HG1 GLU 11 65.693 42.214 46.566 74 H VAL 12 H VAL 12 69.992 44.517 47.084 75 HA VAL 12 HA VAL 12 70.429 46.661 48.782 76 HB VAL 12 HB VAL 12 72.130 45.109 48.131 77 HG11 VAL 12 1HG1 VAL 12 71.630 44.710 45.764 78 HG12 VAL 12 2HG1 VAL 12 71.869 46.507 45.373 79 HG13 VAL 12 3HG1 VAL 12 73.240 45.505 45.986 80 HG21 VAL 12 1HG2 VAL 12 74.043 46.832 47.845 81 HG22 VAL 12 2HG2 VAL 12 72.764 48.050 47.440 82 HG23 VAL 12 3HG2 VAL 12 72.793 47.352 49.024 83 H HIS 13 H HIS 13 69.252 47.047 45.427 84 HA HIS 13 HA HIS 13 69.663 49.988 45.652 85 HB2 HIS 13 HB2 HIS 13 68.864 48.302 43.289 86 HB3 HIS 13 HB1 HIS 13 68.963 50.167 43.345 87 HD2 HIS 13 HD2 HIS 13 70.241 47.712 41.430 88 HE1 HIS 13 HE1 HIS 13 73.825 49.533 42.638 89 HE2 HIS 13 HE2 HIS 13 72.793 48.231 40.813 90 H HIS 14 H HIS 14 67.220 47.777 46.505 91 HA HIS 14 HA HIS 14 64.954 49.746 46.139 92 HB2 HIS 14 HB2 HIS 14 64.698 46.837 47.016 93 HB3 HIS 14 HB1 HIS 14 63.475 48.024 46.473 94 HD2 HIS 14 HD2 HIS 14 63.167 48.627 43.871 95 HE1 HIS 14 HE1 HIS 14 65.878 45.877 42.245 96 HE2 HIS 14 HE2 HIS 14 64.175 47.523 41.738 97 H GLN 15 H GLN 15 67.172 49.313 48.393 98 HA GLN 15 HA GLN 15 66.363 48.909 50.923 99 HB2 GLN 15 HB2 GLN 15 68.067 51.183 49.897 100 HB3 GLN 15 HB1 GLN 15 67.805 50.616 51.560 101 HG2 GLN 15 HG2 GLN 15 68.934 48.900 49.244 102 HG3 GLN 15 HG1 GLN 15 69.791 49.681 50.475 103 HE21 GLN 15 1HE2 GLN 15 67.945 46.807 49.662 104 HE22 GLN 15 2HE2 GLN 15 68.185 45.993 51.113 105 H LYS 16 H LYS 16 65.262 51.695 49.149 106 HA LYS 16 HA LYS 16 64.123 53.269 51.439 107 HB2 LYS 16 HB2 LYS 16 63.781 53.570 48.380 108 HB3 LYS 16 HB1 LYS 16 62.946 54.627 49.557 109 HG2 LYS 16 HG2 LYS 16 65.050 55.502 50.474 110 HG3 LYS 16 HG1 LYS 16 65.940 54.302 49.445 111 HD2 LYS 16 HD2 LYS 16 64.681 55.368 47.484 112 HD3 LYS 16 HD1 LYS 16 64.268 56.690 48.660 113 HE2 LYS 16 HE2 LYS 16 66.593 56.949 48.912 114 HE3 LYS 16 HE1 LYS 16 67.076 55.518 47.984 115 HZ1 LYS 16 HZ1 LYS 16 67.404 57.671 46.660 116 HZ2 LYS 16 HZ2 LYS 16 66.313 56.834 46.002 117 HZ3 LYS 16 HZ3 LYS 16 65.847 58.030 46.860 118 H LEU 17 H LEU 17 63.176 50.894 49.092 119 HA LEU 17 HA LEU 17 60.231 50.928 49.919 120 HB2 LEU 17 HB2 LEU 17 61.569 48.909 48.082 121 HB3 LEU 17 HB1 LEU 17 59.914 49.027 48.329 122 HG LEU 17 HG LEU 17 59.808 51.110 47.053 123 HD11 LEU 17 1HD1 LEU 17 62.026 52.262 47.414 124 HD12 LEU 17 2HD1 LEU 17 62.735 50.788 46.580 125 HD13 LEU 17 3HD1 LEU 17 61.741 52.028 45.917 126 HD21 LEU 17 1HD2 LEU 17 59.847 49.003 45.818 127 HD22 LEU 17 2HD2 LEU 17 60.584 50.131 44.841 128 HD23 LEU 17 3HD2 LEU 17 61.621 49.008 45.736 129 H VAL 18 H VAL 18 63.065 49.024 50.566 130 HA VAL 18 HA VAL 18 61.734 46.889 51.975 131 HB VAL 18 HB VAL 18 64.602 47.858 51.842 132 HG11 VAL 18 1HG1 VAL 18 65.037 45.587 52.991 133 HG12 VAL 18 2HG1 VAL 18 64.689 46.951 53.910 134 HG13 VAL 18 3HG1 VAL 18 63.432 45.876 53.873 135 HG21 VAL 18 1HG2 VAL 18 63.740 46.904 49.909 136 HG22 VAL 18 2HG2 VAL 18 64.925 45.914 50.631 137 HG23 VAL 18 3HG2 VAL 18 63.312 45.353 50.778 138 H PHE 19 H PHE 19 63.320 49.882 52.950 139 HA PHE 19 HA PHE 19 62.533 49.827 55.720 140 HB2 PHE 19 HB2 PHE 19 63.000 52.210 53.895 141 HB3 PHE 19 HB1 PHE 19 63.010 52.125 55.681 142 HD1 PHE 19 HD1 PHE 19 64.681 49.169 55.038 143 HD2 PHE 19 HD2 PHE 19 65.184 53.485 54.733 144 HE1 PHE 19 HE1 PHE 19 67.145 48.952 54.829 145 HE2 PHE 19 HE2 PHE 19 67.756 53.126 54.853 146 HZ PHE 19 HZ PHE 19 68.635 51.047 54.753 147 H PHE 20 H PHE 20 60.817 51.254 52.876 148 HA PHE 20 HA PHE 20 58.860 52.306 54.587 149 HB2 PHE 20 HB2 PHE 20 59.313 52.426 51.976 150 HB3 PHE 20 HB1 PHE 20 58.057 51.246 51.758 151 HD1 PHE 20 HD1 PHE 20 58.422 54.848 52.606 152 HD2 PHE 20 HD2 PHE 20 55.847 51.467 52.664 153 HE1 PHE 20 HE1 PHE 20 56.459 56.313 52.548 154 HE2 PHE 20 HE2 PHE 20 53.865 53.112 52.377 155 HZ PHE 20 HZ PHE 20 54.228 55.454 52.646 156 H ALA 21 H ALA 21 59.076 49.091 53.191 157 HA ALA 21 HA ALA 21 56.446 48.018 54.180 158 HB1 ALA 21 HB1 ALA 21 58.940 46.708 53.190 159 HB2 ALA 21 HB2 ALA 21 57.395 45.993 53.381 160 HB3 ALA 21 HB3 ALA 21 57.655 47.275 52.113 161 H GLU 22 H GLU 22 59.524 48.469 55.620 162 HA GLU 22 HA GLU 22 58.887 46.680 57.974 163 HB2 GLU 22 HB2 GLU 22 61.305 46.962 57.516 164 HB3 GLU 22 HB1 GLU 22 60.995 48.777 57.986 165 HG2 GLU 22 HG2 GLU 22 60.456 48.414 60.160 166 HG3 GLU 22 HG1 GLU 22 60.216 46.622 59.995 167 H ASP 23 H ASP 23 59.193 50.260 57.320 168 HA ASP 23 HA ASP 23 58.368 51.027 59.841 169 HB2 ASP 23 HB2 ASP 23 58.414 52.428 57.177 170 HB3 ASP 23 HB1 ASP 23 58.075 53.222 58.746 171 H VAL 24 H VAL 24 56.275 50.590 56.943 172 HA VAL 24 HA VAL 24 53.901 51.269 58.458 173 HB VAL 24 HB VAL 24 54.145 51.255 55.914 174 HG11 VAL 24 1HG1 VAL 24 53.249 48.276 56.154 175 HG12 VAL 24 2HG1 VAL 24 53.767 49.174 54.691 176 HG13 VAL 24 3HG1 VAL 24 54.906 48.939 55.849 177 HG21 VAL 24 1HG2 VAL 24 51.973 51.753 57.101 178 HG22 VAL 24 2HG2 VAL 24 51.499 50.767 55.754 179 HG23 VAL 24 3HG2 VAL 24 51.774 49.953 57.268 180 H GLY 25 H GLY 25 55.291 48.144 57.750 181 HA2 GLY 25 HA2 GLY 25 55.663 46.255 59.071 182 HA3 GLY 25 HA1 GLY 25 54.865 47.065 60.420 183 H SER 26 H SER 26 53.281 46.359 57.376 184 HA SER 26 HA SER 26 51.233 44.710 58.834 185 HB2 SER 26 HB2 SER 26 49.549 46.317 57.995 186 HB3 SER 26 HB1 SER 26 50.649 46.874 59.157 187 HG SER 26 HG SER 26 50.326 48.384 57.486 188 H ASN 27 H ASN 27 52.527 45.824 55.699 189 HA ASN 27 HA ASN 27 50.816 44.739 53.939 190 HB2 ASN 27 HB2 ASN 27 53.838 44.959 53.691 191 HB3 ASN 27 HB1 ASN 27 52.631 44.747 52.315 192 HD21 ASN 27 1HD2 ASN 27 54.335 46.824 52.284 193 HD22 ASN 27 2HD2 ASN 27 53.442 48.331 52.487 194 H LYS 28 H LYS 28 53.097 42.931 55.868 195 HA LYS 28 HA LYS 28 53.637 40.529 54.622 196 HB2 LYS 28 HB2 LYS 28 54.033 39.713 56.951 197 HB3 LYS 28 HB1 LYS 28 54.714 41.286 56.559 198 HG2 LYS 28 HG2 LYS 28 52.783 42.267 57.842 199 HG3 LYS 28 HG1 LYS 28 52.047 40.633 57.918 200 HD2 LYS 28 HD2 LYS 28 53.985 40.148 59.537 201 HD3 LYS 28 HD1 LYS 28 54.357 41.765 59.422 202 HE2 LYS 28 HE2 LYS 28 53.212 41.505 61.377 203 HE3 LYS 28 HE1 LYS 28 52.373 42.642 60.276 204 HZ1 LYS 28 HZ1 LYS 28 50.906 40.815 59.538 205 HZ2 LYS 28 HZ2 LYS 28 51.623 39.845 60.683 206 HZ3 LYS 28 HZ3 LYS 28 50.792 41.125 61.236 207 H GLY 29 H GLY 29 50.533 41.514 56.457 208 HA2 GLY 29 HA2 GLY 29 49.356 39.004 56.080 209 HA3 GLY 29 HA1 GLY 29 48.554 40.396 56.609 210 H ALA 30 H ALA 30 49.698 41.472 53.696 211 HA ALA 30 HA ALA 30 47.248 40.649 52.219 212 HB1 ALA 30 HB1 ALA 30 48.505 43.406 52.048 213 HB2 ALA 30 HB2 ALA 30 46.909 42.890 51.696 214 HB3 ALA 30 HB3 ALA 30 47.317 43.009 53.395 215 H ILE 31 H ILE 31 50.613 41.167 51.938 216 HA ILE 31 HA ILE 31 50.953 41.530 49.304 217 HB ILE 31 HB ILE 31 52.680 41.653 50.958 218 HG12 ILE 31 2HG1 ILE 31 54.645 40.623 49.601 219 HG13 ILE 31 1HG1 ILE 31 53.434 39.760 48.676 220 HG21 ILE 31 1HG2 ILE 31 53.913 39.827 51.705 221 HG22 ILE 31 2HG2 ILE 31 52.250 39.820 52.286 222 HG23 ILE 31 3HG2 ILE 31 52.736 38.684 51.084 223 HD11 ILE 31 HD1 ILE 31 54.386 41.879 47.592 224 HD12 ILE 31 HD2 ILE 31 52.551 42.019 47.845 225 HD13 ILE 31 HD3 ILE 31 53.780 42.754 48.851 226 H ILE 32 H ILE 32 50.699 38.206 50.585 227 HA ILE 32 HA ILE 32 51.000 36.630 48.225 228 HB ILE 32 HB ILE 32 49.190 36.175 50.543 229 HG12 ILE 32 2HG1 ILE 32 51.833 34.828 49.863 230 HG13 ILE 32 1HG1 ILE 32 51.817 36.210 50.796 231 HG21 ILE 32 1HG2 ILE 32 48.262 35.048 48.708 232 HG22 ILE 32 2HG2 ILE 32 49.856 34.229 48.350 233 HG23 ILE 32 3HG2 ILE 32 48.954 33.866 49.841 234 HD11 ILE 32 HD1 ILE 32 50.455 34.996 52.591 235 HD12 ILE 32 HD2 ILE 32 50.832 33.454 51.674 236 HD13 ILE 32 HD3 ILE 32 52.104 34.497 52.233 237 H GLY 33 H GLY 33 48.007 38.388 49.391 238 HA2 GLY 33 HA2 GLY 33 46.262 37.463 47.299 239 HA3 GLY 33 HA1 GLY 33 46.009 38.757 48.326 240 H LEU 34 H LEU 34 48.239 40.483 47.854 241 HA LEU 34 HA LEU 34 47.373 41.818 45.498 242 HB2 LEU 34 HB2 LEU 34 49.726 42.056 47.452 243 HB3 LEU 34 HB1 LEU 34 49.725 43.006 46.097 244 HG LEU 34 HG LEU 34 47.486 43.117 48.083 245 HD11 LEU 34 1HD1 LEU 34 48.706 44.692 49.273 246 HD12 LEU 34 2HD1 LEU 34 49.189 43.051 49.341 247 HD13 LEU 34 3HD1 LEU 34 50.125 44.160 48.326 248 HD21 LEU 34 1HD2 LEU 34 47.398 45.546 47.228 249 HD22 LEU 34 2HD2 LEU 34 48.643 45.050 46.020 250 HD23 LEU 34 3HD2 LEU 34 46.995 44.360 46.066 251 H MET 35 H MET 35 50.286 39.629 45.992 252 HA MET 35 HA MET 35 51.022 40.345 43.414 253 HB2 MET 35 HB2 MET 35 51.835 37.946 45.139 254 HB3 MET 35 HB1 MET 35 52.471 38.330 43.511 255 HG2 MET 35 HG2 MET 35 53.409 40.338 44.350 256 HG3 MET 35 HG1 MET 35 52.616 40.129 45.914 257 HE1 MET 35 HE1 MET 35 56.370 39.012 44.591 258 HE2 MET 35 HE2 MET 35 55.739 37.390 44.124 259 HE3 MET 35 HE3 MET 35 55.080 38.946 43.405 260 H VAL 36 H VAL 36 49.039 37.854 44.546 261 HA VAL 36 HA VAL 36 48.504 36.632 42.060 262 HB VAL 36 HB VAL 36 46.770 36.804 44.438 263 HG11 VAL 36 1HG1 VAL 36 46.605 34.503 42.480 264 HG12 VAL 36 2HG1 VAL 36 45.456 34.885 43.749 265 HG13 VAL 36 3HG1 VAL 36 45.528 35.990 42.471 266 HG21 VAL 36 1HG2 VAL 36 49.004 35.587 44.756 267 HG22 VAL 36 2HG2 VAL 36 47.486 34.731 45.225 268 HG23 VAL 36 3HG2 VAL 36 48.391 34.351 43.683 269 H GLY 37 H GLY 37 47.000 39.429 43.744 270 HA2 GLY 37 HA2 GLY 37 45.086 40.301 41.798 271 HA3 GLY 37 HA1 GLY 37 46.060 41.278 42.813 272 H GLY 38 H GLY 38 48.741 40.741 41.712 273 HA2 GLY 38 HA2 GLY 38 48.772 42.499 39.386 274 HA3 GLY 38 HA1 GLY 38 50.062 41.703 40.119 275 H VAL 39 H VAL 39 49.204 38.933 39.885 276 HA VAL 39 HA VAL 39 49.490 38.075 37.130 277 HB VAL 39 HB VAL 39 48.478 36.800 39.754 278 HG11 VAL 39 1HG1 VAL 39 48.454 34.575 38.711 279 HG12 VAL 39 2HG1 VAL 39 47.201 35.718 37.825 280 HG13 VAL 39 3HG1 VAL 39 48.789 35.320 37.132 281 HG21 VAL 39 1HG2 VAL 39 50.372 35.404 39.505 282 HG22 VAL 39 2HG2 VAL 39 51.036 36.378 38.180 283 HG23 VAL 39 3HG2 VAL 39 50.797 37.072 39.847 284 H VAL 40 H VAL 40 46.632 38.738 39.185 285 HA VAL 40 HA VAL 40 44.681 38.064 37.070 286 HB VAL 40 HB VAL 40 44.354 39.560 39.661 287 HG11 VAL 40 1HG1 VAL 40 41.975 39.207 37.715 288 HG12 VAL 40 2HG1 VAL 40 42.135 39.914 39.310 289 HG13 VAL 40 3HG1 VAL 40 42.977 40.624 37.955 290 HG21 VAL 40 1HG2 VAL 40 43.103 37.130 38.491 291 HG22 VAL 40 2HG2 VAL 40 44.546 37.075 39.610 292 HG23 VAL 40 3HG2 VAL 40 43.114 37.613 40.160 293 H ILE 41 H ILE 41 46.156 41.356 37.899 294 HA ILE 41 HA ILE 41 44.927 42.893 35.791 295 HB ILE 41 HB ILE 41 47.255 43.118 37.608 296 HG12 ILE 41 2HG1 ILE 41 44.901 44.866 37.506 297 HG13 ILE 41 1HG1 ILE 41 45.042 43.243 38.306 298 HG21 ILE 41 1HG2 ILE 41 46.525 45.258 35.556 299 HG22 ILE 41 2HG2 ILE 41 47.917 45.449 36.692 300 HG23 ILE 41 3HG2 ILE 41 48.018 44.312 35.466 301 HD11 ILE 41 HD1 ILE 41 46.675 43.992 39.670 302 HD12 ILE 41 HD2 ILE 41 46.884 45.546 38.873 303 HD13 ILE 41 HD3 ILE 41 45.364 45.251 39.691 304 H ALA 42 H ALA 42 47.723 41.071 35.884 305 HA ALA 42 HA ALA 42 48.626 41.466 33.205 306 HB1 ALA 42 HB1 ALA 42 49.437 39.124 35.040 307 HB2 ALA 42 HB2 ALA 42 50.103 39.435 33.444 308 HB3 ALA 42 HB3 ALA 42 50.247 40.673 34.647 309 H THR 43 H THR 43 46.400 39.153 34.661 310 HA THR 43 HA THR 43 45.903 37.542 32.161 311 HB THR 43 HB THR 43 44.209 37.983 34.660 312 HG1 THR 43 HG1 THR 43 46.256 36.835 35.046 313 HG21 THR 43 1HG2 THR 43 42.794 37.066 32.842 314 HG22 THR 43 2HG2 THR 43 43.956 35.684 32.698 315 HG23 THR 43 3HG2 THR 43 43.028 35.953 34.271 316 H VAL 44 H VAL 44 44.389 40.381 33.764 317 HA VAL 44 HA VAL 44 42.413 40.647 31.944 318 HB VAL 44 HB VAL 44 43.648 42.492 33.966 319 HG11 VAL 44 1HG1 VAL 44 43.301 44.069 32.192 320 HG12 VAL 44 2HG1 VAL 44 41.652 43.459 32.085 321 HG13 VAL 44 3HG1 VAL 44 42.283 44.293 33.504 322 HG21 VAL 44 1HG2 VAL 44 40.826 41.601 33.457 323 HG22 VAL 44 2HG2 VAL 44 41.878 40.576 34.453 324 HG23 VAL 44 3HG2 VAL 44 41.423 42.264 35.054 325 H ILE 45 H ILE 45 45.670 42.564 32.009 326 HA ILE 45 HA ILE 45 45.289 43.742 29.421 327 HB ILE 45 HB ILE 45 47.854 42.582 30.693 328 HG12 ILE 45 2HG1 ILE 45 46.908 45.472 30.642 329 HG13 ILE 45 1HG1 ILE 45 46.792 44.412 32.016 330 HG21 ILE 45 1HG2 ILE 45 48.897 44.378 29.048 331 HG22 ILE 45 2HG2 ILE 45 48.502 42.736 28.335 332 HG23 ILE 45 3HG2 ILE 45 47.376 44.210 28.184 333 HD11 ILE 45 HD1 ILE 45 49.253 44.179 31.719 334 HD12 ILE 45 HD2 ILE 45 49.153 45.741 30.855 335 HD13 ILE 45 HD3 ILE 45 48.558 45.651 32.460 336 H VAL 46 H VAL 46 46.385 40.366 29.992 337 HA VAL 46 HA VAL 46 46.861 39.955 27.117 338 HB VAL 46 HB VAL 46 46.643 37.920 29.359 339 HG11 VAL 46 1HG1 VAL 46 47.651 37.449 26.446 340 HG12 VAL 46 2HG1 VAL 46 47.747 36.327 27.782 341 HG13 VAL 46 3HG1 VAL 46 46.161 36.753 27.112 342 HG21 VAL 46 1HG2 VAL 46 49.186 37.948 28.699 343 HG22 VAL 46 2HG2 VAL 46 48.719 39.565 27.836 344 HG23 VAL 46 3HG2 VAL 46 48.558 39.410 29.519 345 H ILE 47 H ILE 47 44.005 38.988 29.081 346 HA ILE 47 HA ILE 47 42.533 38.100 26.888 347 HB ILE 47 HB ILE 47 41.750 39.287 29.642 348 HG12 ILE 47 2HG1 ILE 47 41.451 36.443 28.631 349 HG13 ILE 47 1HG1 ILE 47 42.879 36.960 29.538 350 HG21 ILE 47 1HG2 ILE 47 40.053 38.070 27.480 351 HG22 ILE 47 2HG2 ILE 47 39.404 38.623 29.189 352 HG23 ILE 47 3HG2 ILE 47 39.850 39.704 28.032 353 HD11 ILE 47 HD1 ILE 47 41.288 35.735 30.754 354 HD12 ILE 47 HD2 ILE 47 41.383 37.453 31.565 355 HD13 ILE 47 HD3 ILE 47 40.086 36.966 30.480 356 H THR 48 H THR 48 42.842 41.064 28.188 357 HA THR 48 HA THR 48 41.049 42.591 26.406 358 HB THR 48 HB THR 48 43.736 43.665 27.386 359 HG1 THR 48 HG1 THR 48 42.442 43.092 29.015 360 HG21 THR 48 1HG2 THR 48 41.769 44.908 25.592 361 HG22 THR 48 2HG2 THR 48 42.154 45.814 27.118 362 HG23 THR 48 3HG2 THR 48 43.353 45.409 25.985 363 H LEU 49 H LEU 49 44.477 41.643 25.617 364 HA LEU 49 HA LEU 49 44.570 42.629 22.953 365 HB2 LEU 49 HB2 LEU 49 45.843 40.191 24.075 366 HB3 LEU 49 HB1 LEU 49 46.249 40.862 22.545 367 HG LEU 49 HG LEU 49 46.564 42.215 25.292 368 HD11 LEU 49 1HD1 LEU 49 48.787 41.338 23.333 369 HD12 LEU 49 2HD1 LEU 49 48.926 41.816 25.053 370 HD13 LEU 49 3HD1 LEU 49 48.100 40.331 24.754 371 HD21 LEU 49 1HD2 LEU 49 47.675 43.358 22.746 372 HD22 LEU 49 2HD2 LEU 49 46.258 44.099 23.493 373 HD23 LEU 49 3HD2 LEU 49 47.880 44.004 24.314 374 H VAL 50 H VAL 50 43.215 39.598 24.275 375 HA VAL 50 HA VAL 50 42.678 38.275 21.745 376 HB VAL 50 HB VAL 50 41.715 37.474 24.462 377 HG11 VAL 50 1HG1 VAL 50 40.249 36.283 22.577 378 HG12 VAL 50 2HG1 VAL 50 41.751 35.842 21.834 379 HG13 VAL 50 3HG1 VAL 50 41.362 35.221 23.432 380 HG21 VAL 50 1HG2 VAL 50 43.894 36.256 22.932 381 HG22 VAL 50 2HG2 VAL 50 44.215 37.495 24.167 382 HG23 VAL 50 3HG2 VAL 50 43.556 36.041 24.689 383 H MET 51 H MET 51 40.455 39.672 24.061 384 HA MET 51 HA MET 51 38.150 40.017 22.676 385 HB2 MET 51 HB2 MET 51 39.446 42.077 24.555 386 HB3 MET 51 HB1 MET 51 37.776 41.911 24.094 387 HG2 MET 51 HG2 MET 51 39.097 39.648 25.445 388 HG3 MET 51 HG1 MET 51 38.504 40.899 26.323 389 HE1 MET 51 HE1 MET 51 37.232 38.284 27.111 390 HE2 MET 51 HE2 MET 51 36.104 37.669 25.946 391 HE3 MET 51 HE3 MET 51 37.864 37.875 25.560 392 H LEU 52 H LEU 52 41.020 42.098 22.519 393 HA LEU 52 HA LEU 52 39.814 44.231 20.905 394 HB2 LEU 52 HB2 LEU 52 41.816 44.517 22.509 395 HB3 LEU 52 HB1 LEU 52 42.634 43.362 21.586 396 HG LEU 52 HG LEU 52 42.933 44.892 19.820 397 HD11 LEU 52 1HD1 LEU 52 41.528 46.883 21.790 398 HD12 LEU 52 2HD1 LEU 52 42.318 47.364 20.262 399 HD13 LEU 52 3HD1 LEU 52 40.850 46.377 20.175 400 HD21 LEU 52 1HD2 LEU 52 44.558 44.761 21.758 401 HD22 LEU 52 2HD2 LEU 52 44.476 46.535 21.290 402 HD23 LEU 52 3HD2 LEU 52 43.506 45.954 22.676 403 H LYS 53 H LYS 53 42.039 41.532 20.024 404 HA LYS 53 HA LYS 53 42.137 42.213 17.274 405 HB2 LYS 53 HB2 LYS 53 42.488 39.488 18.831 406 HB3 LYS 53 HB1 LYS 53 42.602 39.439 17.142 407 HG2 LYS 53 HG2 LYS 53 44.349 40.794 18.985 408 HG3 LYS 53 HG1 LYS 53 44.773 39.383 18.335 409 HD2 LYS 53 HD2 LYS 53 46.106 41.212 17.143 410 HD3 LYS 53 HD1 LYS 53 44.885 40.445 16.042 411 HE2 LYS 53 HE2 LYS 53 43.601 42.075 15.805 412 HE3 LYS 53 HE1 LYS 53 44.045 42.905 17.214 413 HZ1 LYS 53 HZ1 LYS 53 44.774 43.869 14.966 414 HZ2 LYS 53 HZ2 LYS 53 46.056 43.659 16.102 415 HZ3 LYS 53 HZ3 LYS 53 45.780 42.596 14.908 416 H LYS 54 H LYS 54 39.524 40.635 19.176 417 HA LYS 54 HA LYS 54 38.237 39.361 16.758 418 HB2 LYS 54 HB2 LYS 54 37.449 39.735 19.634 419 HB3 LYS 54 HB1 LYS 54 36.290 39.071 18.373 420 HG2 LYS 54 HG2 LYS 54 37.919 37.413 17.633 421 HG3 LYS 54 HG1 LYS 54 39.034 37.963 18.987 422 HD2 LYS 54 HD2 LYS 54 37.321 37.351 20.590 423 HD3 LYS 54 HD1 LYS 54 36.380 36.578 19.228 424 HE2 LYS 54 HE2 LYS 54 38.214 35.065 18.869 425 HE3 LYS 54 HE1 LYS 54 39.282 35.828 20.108 426 HZ1 LYS 54 HZ1 LYS 54 38.451 33.892 21.136 427 HZ2 LYS 54 HZ2 LYS 54 37.761 35.192 21.764 428 HZ3 LYS 54 HZ3 LYS 54 36.877 34.264 20.793 429 H LYS 55 H LYS 55 38.462 42.639 17.681 430 HA LYS 55 HA LYS 55 35.873 43.674 17.137 431 HB2 LYS 55 HB2 LYS 55 38.743 44.662 16.754 432 HB3 LYS 55 HB1 LYS 55 37.266 45.712 16.238 433 HG2 LYS 55 HG2 LYS 55 36.376 45.011 18.582 434 HG3 LYS 55 HG1 LYS 55 37.847 44.271 18.951 435 HD2 LYS 55 HD2 LYS 55 37.799 46.573 19.879 436 HD3 LYS 55 HD1 LYS 55 38.899 46.707 18.616 437 HE2 LYS 55 HE2 LYS 55 37.241 48.704 18.898 438 HE3 LYS 55 HE1 LYS 55 37.439 47.950 17.268 439 HZ1 LYS 55 HZ1 LYS 55 35.301 47.024 17.679 440 HZ2 LYS 55 HZ2 LYS 55 35.427 47.211 19.314 441 HZ3 LYS 55 HZ3 LYS 55 35.198 48.575 18.379 442 H1 DAR 101 H1 DAR 101 70.121 30.404 52.587 443 H2 DAR 101 H2 DAR 101 70.732 28.938 53.140 444 H3 DAR 101 H3 DAR 101 69.576 29.749 53.965 445 HA DAR 101 HA DAR 101 72.255 30.807 53.546 446 HB2 DAR 101 HB2 DAR 101 72.771 30.273 56.043 447 HB3 DAR 101 HB1 DAR 101 71.191 29.519 56.111 448 HG2 DAR 101 HG2 DAR 101 72.177 27.906 54.345 449 HG3 DAR 101 HG1 DAR 101 73.665 28.952 54.360 450 HD2 DAR 101 HD2 DAR 101 73.942 27.025 55.543 451 HD3 DAR 101 HD1 DAR 101 73.506 28.187 56.952 452 HE DAR 101 HE DAR 101 71.271 27.210 56.919 453 HH11 DAR 101 1HH2 DAR 101 73.779 25.304 55.741 454 HH12 DAR 101 2HH2 DAR 101 72.848 23.801 55.757 455 HH21 DAR 101 1HH1 DAR 101 69.979 25.281 56.593 456 HH22 DAR 101 2HH1 DAR 101 71.055 23.799 56.438 457 HA DPR 102 HA DPR 102 70.921 34.761 54.517 458 HB2 DPR 102 HB2 DPR 102 72.501 34.889 57.086 459 HB3 DPR 102 HB1 DPR 102 72.125 36.047 55.705 460 HG2 DPR 102 HG2 DPR 102 74.356 34.366 55.807 461 HG3 DPR 102 HG1 DPR 102 73.599 34.843 54.267 462 HD2 DPR 102 HD2 DPR 102 73.470 32.343 55.846 463 HD3 DPR 102 HD1 DPR 102 73.251 32.628 54.064 464 H DAR 103 H DAR 103 70.725 33.481 57.829 465 HA DAR 103 HA DAR 103 68.651 35.174 58.874 466 HB2 DAR 103 HB2 DAR 103 68.340 33.307 60.334 467 HB3 DAR 103 HB1 DAR 103 69.364 32.312 59.369 468 HG2 DAR 103 HG2 DAR 103 71.248 33.795 59.733 469 HG3 DAR 103 HG1 DAR 103 70.218 34.914 60.675 470 HD2 DAR 103 HD2 DAR 103 70.495 31.873 61.557 471 HD3 DAR 103 HD1 DAR 103 71.582 33.120 62.059 472 HE DAR 103 HE DAR 103 68.908 33.908 62.418 473 HH11 DAR 103 1HH2 DAR 103 71.496 31.885 63.731 474 HH12 DAR 103 2HH2 DAR 103 70.967 32.209 65.413 475 HH21 DAR 103 1HH1 DAR 103 68.183 33.811 64.329 476 HH22 DAR 103 2HH1 DAR 103 69.087 33.359 65.733 477 H 2TL 104 H 2TL 104 68.003 32.583 56.447 478 HA 2TL 104 HA 2TL 104 65.069 32.808 57.098 479 HB 2TL 104 HB 2TL 104 65.941 30.624 56.471 480 HG1 2TL 104 HG1 2TL 104 67.487 30.431 54.996 481 HG21 2TL 104 1HG2 2TL 104 63.776 31.245 56.147 482 HG22 2TL 104 2HG2 2TL 104 63.982 31.932 54.480 483 HG23 2TL 104 3HG2 2TL 104 64.051 30.195 54.841 484 H DAR 105 H DAR 105 67.398 33.703 54.302 485 HA DAR 105 HA DAR 105 65.705 35.214 52.638 486 HB2 DAR 105 HB2 DAR 105 68.592 35.460 53.372 487 HB3 DAR 105 HB1 DAR 105 67.949 34.506 52.085 488 HG2 DAR 105 HG2 DAR 105 67.805 37.488 51.899 489 HG3 DAR 105 HG1 DAR 105 68.947 36.476 51.117 490 HD2 DAR 105 HD2 DAR 105 67.613 36.258 49.475 491 HD3 DAR 105 HD1 DAR 105 66.700 34.939 50.436 492 HE DAR 105 HE DAR 105 64.878 36.325 50.651 493 HH11 DAR 105 1HH2 DAR 105 63.818 38.229 50.477 494 HH12 DAR 105 2HH2 DAR 105 64.620 39.638 49.757 495 HH21 DAR 105 1HH1 DAR 105 67.685 38.284 49.546 496 HH22 DAR 105 2HH1 DAR 105 66.514 39.617 49.426 497 H DLE 106 H DLE 106 67.452 36.352 55.249 498 HA DLE 106 HA DLE 106 66.838 39.376 55.252 499 HB2 DLE 106 HB2 DLE 106 67.738 39.257 57.640 500 HB3 DLE 106 HB1 DLE 106 67.904 37.536 57.438 501 HG DLE 106 HG DLE 106 69.661 38.049 55.561 502 HD11 DLE 106 1HD1 DLE 106 68.954 40.275 55.015 503 HD12 DLE 106 2HD1 DLE 106 69.365 40.697 56.602 504 HD13 DLE 106 3HD1 DLE 106 70.664 40.175 55.394 505 HD21 DLE 106 1HD2 DLE 106 70.499 37.422 57.944 506 HD22 DLE 106 2HD2 DLE 106 71.371 38.737 57.318 507 HD23 DLE 106 3HD2 DLE 106 70.080 39.133 58.344 508 H DHI 107 H DHI 107 65.365 36.491 57.039 509 HA DHI 107 HA DHI 107 63.756 38.136 58.632 510 HB2 DHI 107 HB2 DHI 107 63.314 35.333 57.494 511 HB3 DHI 107 HB1 DHI 107 63.917 35.794 59.200 512 HD2 DHI 107 HD2 DHI 107 61.555 37.632 60.209 513 HE1 DHI 107 HE1 DHI 107 58.920 34.613 58.976 514 HE2 DHI 107 HE2 DHI 107 59.134 36.598 60.380 515 H 2TL 108 H 2TL 108 62.962 37.149 55.345 516 HA 2TL 108 HA 2TL 108 60.566 38.035 54.840 517 HB 2TL 108 HB 2TL 108 62.373 37.110 53.274 518 HG1 2TL 108 HG1 2TL 108 63.813 38.763 53.274 519 HG21 2TL 108 1HG2 2TL 108 60.294 39.060 52.366 520 HG22 2TL 108 2HG2 2TL 108 61.336 38.155 51.257 521 HG23 2TL 108 3HG2 2TL 108 60.208 37.332 52.349 522 H DHI 109 H DHI 109 63.287 40.239 55.233 523 HA DHI 109 HA DHI 109 61.785 42.588 54.619 524 HB2 DHI 109 HB2 DHI 109 63.957 43.682 55.183 525 HB3 DHI 109 HB1 DHI 109 64.441 42.289 56.047 526 HD2 DHI 109 HD2 DHI 109 63.213 42.883 52.432 527 HE1 DHI 109 HE1 DHI 109 66.555 40.349 52.272 528 HE2 DHI 109 HE2 DHI 109 64.942 41.554 50.838 529 H DAR 110 H DAR 110 61.516 40.753 57.254 530 HA DAR 110 HA DAR 110 59.886 43.144 58.410 531 HB2 DAR 110 HB2 DAR 110 60.020 42.051 60.710 532 HB3 DAR 110 HB1 DAR 110 61.291 41.083 60.170 533 HG2 DAR 110 HG2 DAR 110 62.436 43.399 59.360 534 HG3 DAR 110 HG1 DAR 110 61.269 44.211 60.194 535 HD2 DAR 110 HD2 DAR 110 62.090 42.620 62.270 536 HD3 DAR 110 HD1 DAR 110 63.368 42.227 61.064 537 HE DAR 110 HE DAR 110 63.032 45.013 61.540 538 HH11 DAR 110 1HH2 DAR 110 64.512 46.183 61.683 539 HH12 DAR 110 2HH2 DAR 110 66.184 45.695 62.035 540 HH21 DAR 110 1HH1 DAR 110 65.128 42.394 61.826 541 HH22 DAR 110 2HH1 DAR 110 66.601 43.416 62.022 542 H DSG 111 H DSG 111 59.314 40.858 56.444 543 HA DSG 111 HA DSG 111 56.970 39.959 57.830 544 HB2 DSG 111 HB2 DSG 111 58.748 38.113 56.351 545 HB3 DSG 111 HB1 DSG 111 58.916 38.422 58.083 546 HD21 DSG 111 1HD2 DSG 111 58.057 35.804 56.501 547 HD22 DSG 111 2HD2 DSG 111 56.437 35.468 57.240 548 H DAR 112 H DAR 112 57.737 41.810 55.618 549 HA DAR 112 HA DAR 112 55.782 41.025 53.449 550 HB2 DAR 112 HB2 DAR 112 58.644 42.056 52.833 551 HB3 DAR 112 HB1 DAR 112 58.219 40.271 53.061 552 HG2 DAR 112 HG2 DAR 112 56.557 40.362 51.422 553 HG3 DAR 112 HG1 DAR 112 56.777 41.883 50.990 554 HD2 DAR 112 HD2 DAR 112 58.514 39.528 50.693 555 HD3 DAR 112 HD1 DAR 112 57.928 40.437 49.459 556 HE DAR 112 HE DAR 112 59.361 42.276 50.928 557 HH11 DAR 112 1HH2 DAR 112 60.068 39.467 48.841 558 HH12 DAR 112 2HH2 DAR 112 61.741 40.055 48.554 559 HH21 DAR 112 1HH1 DAR 112 61.659 42.868 50.464 560 HH22 DAR 112 2HH1 DAR 112 62.563 41.724 49.423 Start of MODEL 10 1 H1 ASP 1 H1 ASP 1 64.498 50.171 63.108 2 H2 ASP 1 H2 ASP 1 65.112 51.409 62.355 3 H3 ASP 1 H3 ASP 1 63.711 50.673 61.735 4 HA ASP 1 HA ASP 1 64.761 48.706 61.258 5 HB2 ASP 1 HB2 ASP 1 66.275 49.360 59.392 6 HB3 ASP 1 HB1 ASP 1 64.672 50.096 59.390 7 H ALA 2 H ALA 2 67.435 50.906 62.471 8 HA ALA 2 HA ALA 2 69.362 48.990 61.879 9 HB1 ALA 2 HB1 ALA 2 69.468 51.433 63.779 10 HB2 ALA 2 HB2 ALA 2 70.908 50.533 63.087 11 HB3 ALA 2 HB3 ALA 2 69.654 51.256 62.027 12 H GLU 3 H GLU 3 67.070 48.912 64.507 13 HA GLU 3 HA GLU 3 68.647 47.508 66.529 14 HB2 GLU 3 HB2 GLU 3 66.906 47.650 67.840 15 HB3 GLU 3 HB1 GLU 3 66.995 49.194 66.993 16 HG2 GLU 3 HG2 GLU 3 64.934 47.042 66.505 17 HG3 GLU 3 HG1 GLU 3 64.752 48.343 67.692 18 H PHE 4 H PHE 4 66.742 46.683 63.834 19 HA PHE 4 HA PHE 4 66.912 43.731 64.495 20 HB2 PHE 4 HB2 PHE 4 64.995 45.299 63.013 21 HB3 PHE 4 HB1 PHE 4 64.853 43.534 63.292 22 HD1 PHE 4 HD1 PHE 4 62.640 45.496 63.624 23 HD2 PHE 4 HD2 PHE 4 65.586 43.912 66.405 24 HE1 PHE 4 HE1 PHE 4 61.408 46.374 65.655 25 HE2 PHE 4 HE2 PHE 4 64.156 44.382 68.354 26 HZ PHE 4 HZ PHE 4 61.999 45.793 67.893 27 H ARG 5 H ARG 5 68.222 46.094 62.412 28 HA ARG 5 HA ARG 5 68.896 44.246 60.364 29 HB2 ARG 5 HB2 ARG 5 68.976 46.858 60.251 30 HB3 ARG 5 HB1 ARG 5 70.305 46.784 61.299 31 HG2 ARG 5 HG2 ARG 5 71.751 45.623 59.486 32 HG3 ARG 5 HG1 ARG 5 70.288 45.661 58.471 33 HD2 ARG 5 HD2 ARG 5 71.555 47.937 59.898 34 HD3 ARG 5 HD1 ARG 5 72.094 47.570 58.441 35 HE ARG 5 HE ARG 5 69.384 47.769 58.116 36 HH11 ARG 5 1HH1 ARG 5 71.816 49.989 59.244 37 HH12 ARG 5 2HH1 ARG 5 71.182 51.238 58.142 38 HH21 ARG 5 1HH2 ARG 5 68.384 49.743 57.214 39 HH22 ARG 5 2HH2 ARG 5 69.242 51.283 57.405 40 H HIS 6 H HIS 6 70.272 42.737 60.145 41 HA HIS 6 HA HIS 6 72.360 42.226 62.212 42 HB2 HIS 6 HB2 HIS 6 70.279 41.135 62.720 43 HB3 HIS 6 HB1 HIS 6 70.383 40.323 61.125 44 HD2 HIS 6 HD2 HIS 6 72.322 40.330 64.571 45 HE1 HIS 6 HE1 HIS 6 73.186 36.730 62.474 46 HE2 HIS 6 HE2 HIS 6 73.938 38.231 64.401 47 H ASP 7 H ASP 7 73.897 40.584 61.623 48 HA ASP 7 HA ASP 7 75.118 40.777 59.043 49 HB2 ASP 7 HB2 ASP 7 76.190 39.934 61.166 50 HB3 ASP 7 HB1 ASP 7 75.185 38.534 61.091 51 H SER 8 H SER 8 73.067 38.116 60.198 52 HA SER 8 HA SER 8 72.900 36.834 57.577 53 HB2 SER 8 HB2 SER 8 71.707 35.952 60.299 54 HB3 SER 8 HB1 SER 8 71.582 35.121 58.753 55 HG SER 8 HG SER 8 73.868 34.880 58.838 56 H GLY 9 H GLY 9 71.395 39.581 58.776 57 HA2 GLY 9 HA2 GLY 9 69.184 39.250 56.973 58 HA3 GLY 9 HA1 GLY 9 68.629 39.201 58.653 59 H TYR 10 H TYR 10 69.851 41.116 56.097 60 HA TYR 10 HA TYR 10 70.177 43.628 57.360 61 HB2 TYR 10 HB2 TYR 10 70.977 43.147 55.039 62 HB3 TYR 10 HB1 TYR 10 69.275 42.921 54.566 63 HD1 TYR 10 HD1 TYR 10 68.147 44.631 53.417 64 HD2 TYR 10 HD2 TYR 10 71.241 45.637 56.413 65 HE1 TYR 10 HE1 TYR 10 67.931 46.945 53.006 66 HE2 TYR 10 HE2 TYR 10 71.041 48.062 55.902 67 HH TYR 10 HH TYR 10 70.123 49.506 54.628 68 H GLU 11 H GLU 11 68.772 45.243 58.133 69 HA GLU 11 HA GLU 11 65.927 45.051 57.161 70 HB2 GLU 11 HB2 GLU 11 66.184 44.301 59.572 71 HB3 GLU 11 HB1 GLU 11 66.775 45.959 60.048 72 HG2 GLU 11 HG2 GLU 11 64.428 45.564 60.650 73 HG3 GLU 11 HG1 GLU 11 64.557 46.840 59.446 74 H VAL 12 H VAL 12 64.666 46.771 56.757 75 HA VAL 12 HA VAL 12 66.144 49.326 56.844 76 HB VAL 12 HB VAL 12 66.708 48.409 54.877 77 HG11 VAL 12 1HG1 VAL 12 63.756 48.010 54.105 78 HG12 VAL 12 2HG1 VAL 12 65.294 47.753 53.067 79 HG13 VAL 12 3HG1 VAL 12 65.059 46.695 54.460 80 HG21 VAL 12 1HG2 VAL 12 64.650 50.539 54.427 81 HG22 VAL 12 2HG2 VAL 12 66.289 50.788 55.002 82 HG23 VAL 12 3HG2 VAL 12 65.887 50.249 53.294 83 H HIS 13 H HIS 13 63.108 47.571 57.332 84 HA HIS 13 HA HIS 13 61.327 49.515 56.334 85 HB2 HIS 13 HB2 HIS 13 60.930 47.389 58.551 86 HB3 HIS 13 HB1 HIS 13 59.571 48.273 57.764 87 HD2 HIS 13 HD2 HIS 13 61.842 47.563 54.951 88 HE1 HIS 13 HE1 HIS 13 59.356 44.120 55.312 89 HE2 HIS 13 HE2 HIS 13 60.953 45.364 53.773 90 H HIS 14 H HIS 14 60.312 51.291 57.277 91 HA HIS 14 HA HIS 14 61.773 52.487 59.622 92 HB2 HIS 14 HB2 HIS 14 60.866 53.862 57.792 93 HB3 HIS 14 HB1 HIS 14 59.173 53.340 58.073 94 HD2 HIS 14 HD2 HIS 14 62.242 55.122 59.784 95 HE1 HIS 14 HE1 HIS 14 58.673 56.845 61.584 96 HE2 HIS 14 HE2 HIS 14 61.344 56.828 61.541 97 H GLN 15 H GLN 15 61.060 52.867 61.721 98 HA GLN 15 HA GLN 15 59.679 51.114 63.105 99 HB2 GLN 15 HB2 GLN 15 59.589 54.116 63.481 100 HB3 GLN 15 HB1 GLN 15 59.155 52.933 64.789 101 HG2 GLN 15 HG2 GLN 15 61.324 53.723 65.348 102 HG3 GLN 15 HG1 GLN 15 61.476 52.138 64.651 103 HE21 GLN 15 1HE2 GLN 15 61.543 55.526 63.702 104 HE22 GLN 15 2HE2 GLN 15 62.904 55.491 62.676 105 H LYS 16 H LYS 16 57.864 53.754 61.546 106 HA LYS 16 HA LYS 16 55.303 53.294 62.417 107 HB2 LYS 16 HB2 LYS 16 56.150 54.679 59.782 108 HB3 LYS 16 HB1 LYS 16 54.530 54.709 60.588 109 HG2 LYS 16 HG2 LYS 16 55.203 55.879 62.376 110 HG3 LYS 16 HG1 LYS 16 56.980 55.763 62.022 111 HD2 LYS 16 HD2 LYS 16 56.150 58.048 61.437 112 HD3 LYS 16 HD1 LYS 16 56.430 57.193 59.974 113 HE2 LYS 16 HE2 LYS 16 53.899 56.653 59.967 114 HE3 LYS 16 HE1 LYS 16 53.802 57.760 61.385 115 HZ1 LYS 16 HZ1 LYS 16 55.083 58.541 58.861 116 HZ2 LYS 16 HZ2 LYS 16 53.528 58.964 59.068 117 HZ3 LYS 16 HZ3 LYS 16 54.610 59.544 60.061 118 H LEU 17 H LEU 17 57.143 51.969 59.815 119 HA LEU 17 HA LEU 17 54.876 50.598 58.244 120 HB2 LEU 17 HB2 LEU 17 56.513 51.306 56.815 121 HB3 LEU 17 HB1 LEU 17 57.872 50.804 57.893 122 HG LEU 17 HG LEU 17 57.322 48.403 57.111 123 HD11 LEU 17 1HD1 LEU 17 54.724 49.024 56.666 124 HD12 LEU 17 2HD1 LEU 17 55.228 49.941 55.291 125 HD13 LEU 17 3HD1 LEU 17 55.348 48.207 55.292 126 HD21 LEU 17 1HD2 LEU 17 58.804 49.803 55.667 127 HD22 LEU 17 2HD2 LEU 17 57.958 48.499 54.797 128 HD23 LEU 17 3HD2 LEU 17 57.472 50.115 54.616 129 H VAL 18 H VAL 18 57.327 49.877 60.730 130 HA VAL 18 HA VAL 18 56.906 47.028 60.532 131 HB VAL 18 HB VAL 18 58.122 48.564 62.823 132 HG11 VAL 18 1HG1 VAL 18 58.912 46.520 63.732 133 HG12 VAL 18 2HG1 VAL 18 57.146 46.478 63.667 134 HG13 VAL 18 3HG1 VAL 18 58.242 45.561 62.521 135 HG21 VAL 18 1HG2 VAL 18 59.163 48.372 60.380 136 HG22 VAL 18 2HG2 VAL 18 60.087 48.192 61.879 137 HG23 VAL 18 3HG2 VAL 18 59.538 46.786 60.876 138 H PHE 19 H PHE 19 55.573 49.792 62.429 139 HA PHE 19 HA PHE 19 53.727 48.063 63.903 140 HB2 PHE 19 HB2 PHE 19 53.969 51.174 63.588 141 HB3 PHE 19 HB1 PHE 19 52.737 50.518 64.564 142 HD1 PHE 19 HD1 PHE 19 54.016 48.305 66.231 143 HD2 PHE 19 HD2 PHE 19 55.457 52.162 65.225 144 HE1 PHE 19 HE1 PHE 19 55.506 48.235 68.141 145 HE2 PHE 19 HE2 PHE 19 56.564 52.374 67.406 146 HZ PHE 19 HZ PHE 19 56.610 50.391 68.865 147 H PHE 20 H PHE 20 53.563 49.563 60.602 148 HA PHE 20 HA PHE 20 50.721 49.202 60.455 149 HB2 PHE 20 HB2 PHE 20 52.061 50.711 58.952 150 HB3 PHE 20 HB1 PHE 20 52.864 49.259 58.405 151 HD1 PHE 20 HD1 PHE 20 52.227 47.984 56.557 152 HD2 PHE 20 HD2 PHE 20 49.315 50.687 58.398 153 HE1 PHE 20 HE1 PHE 20 50.641 47.546 54.736 154 HE2 PHE 20 HE2 PHE 20 47.761 50.202 56.607 155 HZ PHE 20 HZ PHE 20 48.438 48.628 54.673 156 H ALA 21 H ALA 21 53.543 47.124 59.821 157 HA ALA 21 HA ALA 21 52.177 44.673 58.979 158 HB1 ALA 21 HB1 ALA 21 54.471 43.697 59.785 159 HB2 ALA 21 HB2 ALA 21 54.421 44.783 58.292 160 HB3 ALA 21 HB3 ALA 21 54.908 45.464 59.754 161 H GLU 22 H GLU 22 52.736 46.072 62.081 162 HA GLU 22 HA GLU 22 51.891 43.578 63.412 163 HB2 GLU 22 HB2 GLU 22 53.367 45.546 64.218 164 HB3 GLU 22 HB1 GLU 22 51.899 46.318 64.540 165 HG2 GLU 22 HG2 GLU 22 52.684 45.324 66.710 166 HG3 GLU 22 HG1 GLU 22 51.160 44.829 66.233 167 H ASP 23 H ASP 23 50.313 46.727 62.538 168 HA ASP 23 HA ASP 23 47.689 46.114 63.343 169 HB2 ASP 23 HB2 ASP 23 48.827 48.031 61.317 170 HB3 ASP 23 HB1 ASP 23 47.079 48.100 61.636 171 H VAL 24 H VAL 24 49.263 45.462 60.360 172 HA VAL 24 HA VAL 24 47.065 44.094 59.031 173 HB VAL 24 HB VAL 24 49.988 44.445 58.508 174 HG11 VAL 24 1HG1 VAL 24 49.619 43.199 56.337 175 HG12 VAL 24 2HG1 VAL 24 49.816 42.304 57.743 176 HG13 VAL 24 3HG1 VAL 24 48.121 42.557 57.215 177 HG21 VAL 24 1HG2 VAL 24 48.361 46.239 57.940 178 HG22 VAL 24 2HG2 VAL 24 49.336 45.559 56.612 179 HG23 VAL 24 3HG2 VAL 24 47.648 45.001 56.803 180 H GLY 25 H GLY 25 49.782 43.243 61.061 181 HA2 GLY 25 HA2 GLY 25 50.356 41.276 62.103 182 HA3 GLY 25 HA1 GLY 25 48.765 40.513 61.711 183 H SER 26 H SER 26 48.281 40.002 59.379 184 HA SER 26 HA SER 26 50.220 38.130 58.513 185 HB2 SER 26 HB2 SER 26 47.571 38.632 57.115 186 HB3 SER 26 HB1 SER 26 48.443 37.244 57.265 187 HG SER 26 HG SER 26 48.080 36.828 59.223 188 H ASN 27 H ASN 27 51.777 39.871 58.040 189 HA ASN 27 HA ASN 27 51.307 41.497 55.620 190 HB2 ASN 27 HB2 ASN 27 53.439 42.491 55.994 191 HB3 ASN 27 HB1 ASN 27 52.597 42.140 57.544 192 HD21 ASN 27 1HD2 ASN 27 53.522 41.082 59.224 193 HD22 ASN 27 2HD2 ASN 27 54.975 40.119 58.848 194 H LYS 28 H LYS 28 52.640 38.194 56.050 195 HA LYS 28 HA LYS 28 53.891 37.933 53.467 196 HB2 LYS 28 HB2 LYS 28 54.619 36.499 55.130 197 HB3 LYS 28 HB1 LYS 28 53.035 36.050 55.714 198 HG2 LYS 28 HG2 LYS 28 53.633 34.057 54.555 199 HG3 LYS 28 HG1 LYS 28 52.684 34.991 53.270 200 HD2 LYS 28 HD2 LYS 28 54.676 34.030 52.397 201 HD3 LYS 28 HD1 LYS 28 54.604 35.851 52.378 202 HE2 LYS 28 HE2 LYS 28 56.965 35.143 52.744 203 HE3 LYS 28 HE1 LYS 28 56.345 35.901 54.147 204 HZ1 LYS 28 HZ1 LYS 28 56.222 32.955 53.977 205 HZ2 LYS 28 HZ2 LYS 28 57.569 33.942 54.420 206 HZ3 LYS 28 HZ3 LYS 28 56.237 33.897 55.399 207 H GLY 29 H GLY 29 50.703 37.517 54.753 208 HA2 GLY 29 HA2 GLY 29 49.197 36.154 52.638 209 HA3 GLY 29 HA1 GLY 29 48.636 36.998 54.052 210 H ALA 30 H ALA 30 49.674 39.650 53.813 211 HA ALA 30 HA ALA 30 47.902 40.862 51.842 212 HB1 ALA 30 HB1 ALA 30 49.060 42.897 52.627 213 HB2 ALA 30 HB2 ALA 30 48.693 41.831 54.030 214 HB3 ALA 30 HB3 ALA 30 50.398 41.693 53.285 215 H ILE 31 H ILE 31 51.481 40.377 51.916 216 HA ILE 31 HA ILE 31 51.679 41.396 49.221 217 HB ILE 31 HB ILE 31 53.435 39.535 50.846 218 HG12 ILE 31 2HG1 ILE 31 54.045 42.315 49.661 219 HG13 ILE 31 1HG1 ILE 31 53.084 42.089 51.111 220 HG21 ILE 31 1HG2 ILE 31 54.112 40.408 47.986 221 HG22 ILE 31 2HG2 ILE 31 55.137 39.710 49.204 222 HG23 ILE 31 3HG2 ILE 31 53.822 38.730 48.554 223 HD11 ILE 31 HD1 ILE 31 55.733 40.849 50.882 224 HD12 ILE 31 HD2 ILE 31 55.410 42.500 51.575 225 HD13 ILE 31 HD3 ILE 31 54.816 40.964 52.334 226 H ILE 32 H ILE 32 51.090 38.004 50.112 227 HA ILE 32 HA ILE 32 50.754 36.908 47.542 228 HB ILE 32 HB ILE 32 49.707 36.331 50.333 229 HG12 ILE 32 2HG1 ILE 32 51.670 34.581 48.717 230 HG13 ILE 32 1HG1 ILE 32 52.113 35.892 49.545 231 HG21 ILE 32 1HG2 ILE 32 49.214 34.609 47.713 232 HG22 ILE 32 2HG2 ILE 32 49.021 33.979 49.349 233 HG23 ILE 32 3HG2 ILE 32 48.040 35.316 48.713 234 HD11 ILE 32 HD1 ILE 32 50.996 34.870 51.704 235 HD12 ILE 32 HD2 ILE 32 50.772 33.427 50.688 236 HD13 ILE 32 HD3 ILE 32 52.487 34.003 51.058 237 H GLY 33 H GLY 33 48.265 38.551 49.659 238 HA2 GLY 33 HA2 GLY 33 46.229 38.557 47.558 239 HA3 GLY 33 HA1 GLY 33 46.459 39.623 48.691 240 H LEU 34 H LEU 34 48.763 41.115 47.996 241 HA LEU 34 HA LEU 34 48.144 42.437 45.617 242 HB2 LEU 34 HB2 LEU 34 50.926 42.275 46.734 243 HB3 LEU 34 HB1 LEU 34 50.414 43.421 45.677 244 HG LEU 34 HG LEU 34 49.836 43.237 48.483 245 HD11 LEU 34 1HD1 LEU 34 51.972 44.687 47.962 246 HD12 LEU 34 2HD1 LEU 34 50.988 45.611 46.842 247 HD13 LEU 34 3HD1 LEU 34 50.609 45.554 48.697 248 HD21 LEU 34 1HD2 LEU 34 48.351 45.085 48.517 249 HD22 LEU 34 2HD2 LEU 34 48.467 45.043 46.711 250 HD23 LEU 34 3HD2 LEU 34 47.906 43.613 47.438 251 H MET 35 H MET 35 49.760 39.280 45.775 252 HA MET 35 HA MET 35 51.117 39.477 43.161 253 HB2 MET 35 HB2 MET 35 52.240 38.298 45.027 254 HB3 MET 35 HB1 MET 35 51.010 37.039 45.015 255 HG2 MET 35 HG2 MET 35 51.742 36.626 42.659 256 HG3 MET 35 HG1 MET 35 53.114 37.745 42.783 257 HE1 MET 35 HE1 MET 35 55.547 36.930 43.235 258 HE2 MET 35 HE2 MET 35 55.144 37.708 44.681 259 HE3 MET 35 HE3 MET 35 56.023 36.217 44.760 260 H VAL 36 H VAL 36 48.414 37.629 44.688 261 HA VAL 36 HA VAL 36 47.482 36.526 42.165 262 HB VAL 36 HB VAL 36 46.029 37.335 44.714 263 HG11 VAL 36 1HG1 VAL 36 45.379 35.705 42.333 264 HG12 VAL 36 2HG1 VAL 36 44.428 35.585 43.814 265 HG13 VAL 36 3HG1 VAL 36 44.567 37.125 42.850 266 HG21 VAL 36 1HG2 VAL 36 46.956 34.592 44.126 267 HG22 VAL 36 2HG2 VAL 36 47.791 35.522 45.249 268 HG23 VAL 36 3HG2 VAL 36 46.080 34.978 45.429 269 H GLY 37 H GLY 37 47.010 39.704 43.822 270 HA2 GLY 37 HA2 GLY 37 45.110 40.556 41.947 271 HA3 GLY 37 HA1 GLY 37 46.076 41.700 42.937 272 H GLY 38 H GLY 38 48.650 41.092 41.935 273 HA2 GLY 38 HA2 GLY 38 49.027 42.215 39.462 274 HA3 GLY 38 HA1 GLY 38 50.197 41.067 40.113 275 H VAL 39 H VAL 39 48.434 38.783 40.029 276 HA VAL 39 HA VAL 39 48.912 37.975 37.161 277 HB VAL 39 HB VAL 39 47.630 36.247 39.336 278 HG11 VAL 39 1HG1 VAL 39 49.110 35.638 36.758 279 HG12 VAL 39 2HG1 VAL 39 48.380 34.471 37.831 280 HG13 VAL 39 3HG1 VAL 39 47.243 35.626 36.973 281 HG21 VAL 39 1HG2 VAL 39 50.501 36.112 38.626 282 HG22 VAL 39 2HG2 VAL 39 49.797 36.621 40.154 283 HG23 VAL 39 3HG2 VAL 39 49.577 35.084 39.543 284 H VAL 40 H VAL 40 46.027 38.498 39.353 285 HA VAL 40 HA VAL 40 44.034 38.133 37.354 286 HB VAL 40 HB VAL 40 44.261 39.878 39.887 287 HG11 VAL 40 1HG1 VAL 40 41.744 39.407 38.032 288 HG12 VAL 40 2HG1 VAL 40 41.782 40.195 39.634 289 HG13 VAL 40 3HG1 VAL 40 42.455 40.818 38.204 290 HG21 VAL 40 1HG2 VAL 40 42.820 37.320 39.235 291 HG22 VAL 40 2HG2 VAL 40 44.077 37.448 40.392 292 HG23 VAL 40 3HG2 VAL 40 42.644 38.235 40.765 293 H ILE 41 H ILE 41 45.835 41.182 38.090 294 HA ILE 41 HA ILE 41 44.374 42.649 36.141 295 HB ILE 41 HB ILE 41 46.948 43.210 37.502 296 HG12 ILE 41 2HG1 ILE 41 44.073 44.345 37.894 297 HG13 ILE 41 1HG1 ILE 41 44.479 42.865 38.651 298 HG21 ILE 41 1HG2 ILE 41 47.100 44.591 35.525 299 HG22 ILE 41 2HG2 ILE 41 45.338 45.056 35.904 300 HG23 ILE 41 3HG2 ILE 41 46.633 45.455 37.085 301 HD11 ILE 41 HD1 ILE 41 44.913 44.361 40.296 302 HD12 ILE 41 HD2 ILE 41 46.554 44.070 39.658 303 HD13 ILE 41 HD3 ILE 41 45.661 45.553 39.120 304 H ALA 42 H ALA 42 47.603 41.423 35.862 305 HA ALA 42 HA ALA 42 48.186 41.939 33.095 306 HB1 ALA 42 HB1 ALA 42 48.843 39.483 34.856 307 HB2 ALA 42 HB2 ALA 42 49.601 39.993 33.334 308 HB3 ALA 42 HB3 ALA 42 49.791 41.147 34.734 309 H THR 43 H THR 43 46.301 39.015 34.608 310 HA THR 43 HA THR 43 45.794 37.887 32.160 311 HB THR 43 HB THR 43 44.126 37.303 34.457 312 HG1 THR 43 HG1 THR 43 46.201 37.055 35.156 313 HG21 THR 43 1HG2 THR 43 44.854 35.984 31.819 314 HG22 THR 43 2HG2 THR 43 44.490 34.980 33.363 315 HG23 THR 43 3HG2 THR 43 43.400 36.006 32.536 316 H VAL 44 H VAL 44 44.136 40.376 33.684 317 HA VAL 44 HA VAL 44 41.770 40.468 31.912 318 HB VAL 44 HB VAL 44 42.862 42.483 33.813 319 HG11 VAL 44 1HG1 VAL 44 41.820 43.792 32.004 320 HG12 VAL 44 2HG1 VAL 44 40.431 42.732 32.115 321 HG13 VAL 44 3HG1 VAL 44 40.856 43.848 33.505 322 HG21 VAL 44 1HG2 VAL 44 41.122 41.997 35.117 323 HG22 VAL 44 2HG2 VAL 44 40.231 41.090 33.877 324 HG23 VAL 44 3HG2 VAL 44 41.653 40.377 34.632 325 H ILE 45 H ILE 45 44.817 42.385 32.234 326 HA ILE 45 HA ILE 45 44.651 43.837 29.676 327 HB ILE 45 HB ILE 45 47.276 42.735 31.272 328 HG12 ILE 45 2HG1 ILE 45 46.339 45.567 30.864 329 HG13 ILE 45 1HG1 ILE 45 45.657 44.415 32.079 330 HG21 ILE 45 1HG2 ILE 45 47.235 44.443 28.703 331 HG22 ILE 45 2HG2 ILE 45 48.630 44.410 29.908 332 HG23 ILE 45 3HG2 ILE 45 48.137 42.991 29.152 333 HD11 ILE 45 HD1 ILE 45 47.787 44.119 33.282 334 HD12 ILE 45 HD2 ILE 45 48.594 45.316 32.202 335 HD13 ILE 45 HD3 ILE 45 47.192 45.824 33.224 336 H VAL 46 H VAL 46 45.813 40.537 30.088 337 HA VAL 46 HA VAL 46 46.445 40.305 27.238 338 HB VAL 46 HB VAL 46 46.695 38.416 29.567 339 HG11 VAL 46 1HG1 VAL 46 47.727 38.116 26.618 340 HG12 VAL 46 2HG1 VAL 46 48.117 37.100 28.019 341 HG13 VAL 46 3HG1 VAL 46 46.470 37.053 27.388 342 HG21 VAL 46 1HG2 VAL 46 48.658 40.039 28.031 343 HG22 VAL 46 2HG2 VAL 46 48.114 40.442 29.696 344 HG23 VAL 46 3HG2 VAL 46 49.114 39.018 29.416 345 H ILE 47 H ILE 47 43.795 39.130 29.053 346 HA ILE 47 HA ILE 47 42.772 37.832 26.755 347 HB ILE 47 HB ILE 47 41.466 38.245 29.343 348 HG12 ILE 47 2HG1 ILE 47 42.470 35.788 28.062 349 HG13 ILE 47 1HG1 ILE 47 43.315 36.560 29.414 350 HG21 ILE 47 1HG2 ILE 47 40.508 36.892 26.823 351 HG22 ILE 47 2HG2 ILE 47 39.600 36.823 28.353 352 HG23 ILE 47 3HG2 ILE 47 39.894 38.438 27.545 353 HD11 ILE 47 HD1 ILE 47 41.885 34.711 30.265 354 HD12 ILE 47 HD2 ILE 47 41.220 36.085 30.808 355 HD13 ILE 47 HD3 ILE 47 40.457 35.263 29.367 356 H THR 48 H THR 48 42.272 41.124 28.265 357 HA THR 48 HA THR 48 40.474 42.247 26.367 358 HB THR 48 HB THR 48 42.913 43.759 27.527 359 HG1 THR 48 HG1 THR 48 41.570 42.994 29.225 360 HG21 THR 48 1HG2 THR 48 40.207 44.740 26.359 361 HG22 THR 48 2HG2 THR 48 41.680 45.602 27.039 362 HG23 THR 48 3HG2 THR 48 41.764 44.854 25.529 363 H LEU 49 H LEU 49 44.121 42.009 26.183 364 HA LEU 49 HA LEU 49 44.149 43.313 23.770 365 HB2 LEU 49 HB2 LEU 49 46.306 41.689 25.174 366 HB3 LEU 49 HB1 LEU 49 46.577 42.286 23.700 367 HG LEU 49 HG LEU 49 45.587 44.053 26.068 368 HD11 LEU 49 1HD1 LEU 49 47.848 42.905 26.559 369 HD12 LEU 49 2HD1 LEU 49 48.504 43.682 25.204 370 HD13 LEU 49 3HD1 LEU 49 47.889 44.587 26.523 371 HD21 LEU 49 1HD2 LEU 49 47.099 44.904 23.528 372 HD22 LEU 49 2HD2 LEU 49 45.418 45.214 23.730 373 HD23 LEU 49 3HD2 LEU 49 46.607 45.989 24.834 374 H VAL 50 H VAL 50 44.115 39.873 24.477 375 HA VAL 50 HA VAL 50 44.416 38.836 21.847 376 HB VAL 50 HB VAL 50 43.228 37.797 24.488 377 HG11 VAL 50 1HG1 VAL 50 41.611 36.846 23.098 378 HG12 VAL 50 2HG1 VAL 50 42.807 36.752 21.760 379 HG13 VAL 50 3HG1 VAL 50 42.946 35.565 23.215 380 HG21 VAL 50 1HG2 VAL 50 45.573 37.982 24.086 381 HG22 VAL 50 2HG2 VAL 50 45.059 36.391 24.358 382 HG23 VAL 50 3HG2 VAL 50 45.471 36.911 22.707 383 H MET 51 H MET 51 41.466 39.811 23.679 384 HA MET 51 HA MET 51 39.712 38.973 21.743 385 HB2 MET 51 HB2 MET 51 39.156 39.405 24.244 386 HB3 MET 51 HB1 MET 51 39.314 41.052 23.988 387 HG2 MET 51 HG2 MET 51 37.238 40.846 22.436 388 HG3 MET 51 HG1 MET 51 37.163 39.233 22.854 389 HE1 MET 51 HE1 MET 51 36.060 38.903 26.440 390 HE2 MET 51 HE2 MET 51 36.819 38.095 24.947 391 HE3 MET 51 HE3 MET 51 37.786 38.983 26.091 392 H LEU 52 H LEU 52 41.242 42.076 22.267 393 HA LEU 52 HA LEU 52 40.080 43.648 20.189 394 HB2 LEU 52 HB2 LEU 52 42.596 43.514 21.791 395 HB3 LEU 52 HB1 LEU 52 42.628 44.805 20.594 396 HG LEU 52 HG LEU 52 40.332 44.570 22.582 397 HD11 LEU 52 1HD1 LEU 52 42.624 46.682 22.394 398 HD12 LEU 52 2HD1 LEU 52 41.545 46.342 23.737 399 HD13 LEU 52 3HD1 LEU 52 42.852 45.210 23.330 400 HD21 LEU 52 1HD2 LEU 52 41.094 46.639 20.486 401 HD22 LEU 52 2HD2 LEU 52 39.493 45.913 20.768 402 HD23 LEU 52 3HD2 LEU 52 40.094 47.029 21.925 403 H LYS 53 H LYS 53 42.921 41.435 20.223 404 HA LYS 53 HA LYS 53 43.511 41.821 17.471 405 HB2 LYS 53 HB2 LYS 53 45.029 40.677 19.136 406 HB3 LYS 53 HB1 LYS 53 43.830 39.371 19.390 407 HG2 LYS 53 HG2 LYS 53 45.460 38.421 18.113 408 HG3 LYS 53 HG1 LYS 53 44.085 38.423 17.191 409 HD2 LYS 53 HD2 LYS 53 46.218 40.631 17.091 410 HD3 LYS 53 HD1 LYS 53 46.553 38.943 16.446 411 HE2 LYS 53 HE2 LYS 53 44.662 39.280 14.802 412 HE3 LYS 53 HE1 LYS 53 44.461 40.954 15.446 413 HZ1 LYS 53 HZ1 LYS 53 45.741 40.888 13.342 414 HZ2 LYS 53 HZ2 LYS 53 46.799 41.318 14.458 415 HZ3 LYS 53 HZ3 LYS 53 46.893 39.777 13.872 416 H LYS 54 H LYS 54 41.096 39.751 18.973 417 HA LYS 54 HA LYS 54 40.262 38.501 16.384 418 HB2 LYS 54 HB2 LYS 54 39.414 38.304 19.288 419 HB3 LYS 54 HB1 LYS 54 38.186 37.986 18.103 420 HG2 LYS 54 HG2 LYS 54 39.250 35.962 19.054 421 HG3 LYS 54 HG1 LYS 54 39.408 35.989 17.254 422 HD2 LYS 54 HD2 LYS 54 41.915 37.033 17.543 423 HD3 LYS 54 HD1 LYS 54 41.416 36.864 19.348 424 HE2 LYS 54 HE2 LYS 54 42.739 35.054 19.121 425 HE3 LYS 54 HE1 LYS 54 41.104 34.456 19.225 426 HZ1 LYS 54 HZ1 LYS 54 42.398 34.801 16.619 427 HZ2 LYS 54 HZ2 LYS 54 42.376 33.338 17.463 428 HZ3 LYS 54 HZ3 LYS 54 40.951 34.033 16.978 429 H LYS 55 H LYS 55 39.828 41.609 17.550 430 HA LYS 55 HA LYS 55 37.165 42.157 16.589 431 HB2 LYS 55 HB2 LYS 55 38.741 43.546 18.170 432 HB3 LYS 55 HB1 LYS 55 39.557 44.034 16.710 433 HG2 LYS 55 HG2 LYS 55 37.506 45.087 15.809 434 HG3 LYS 55 HG1 LYS 55 36.449 44.418 17.101 435 HD2 LYS 55 HD2 LYS 55 37.433 45.522 18.773 436 HD3 LYS 55 HD1 LYS 55 38.818 46.122 17.648 437 HE2 LYS 55 HE2 LYS 55 36.005 46.763 17.182 438 HE3 LYS 55 HE1 LYS 55 36.839 47.719 18.511 439 HZ1 LYS 55 HZ1 LYS 55 38.344 48.540 17.085 440 HZ2 LYS 55 HZ2 LYS 55 37.674 47.828 15.771 441 HZ3 LYS 55 HZ3 LYS 55 36.830 48.901 16.519 442 H1 DAR 101 H1 DAR 101 56.451 41.094 61.245 443 H2 DAR 101 H2 DAR 101 55.293 41.369 62.206 444 H3 DAR 101 H3 DAR 101 56.623 42.312 62.256 445 HA DAR 101 HA DAR 101 56.402 39.544 62.992 446 HB2 DAR 101 HB2 DAR 101 56.605 41.707 65.202 447 HB3 DAR 101 HB1 DAR 101 55.074 41.155 64.554 448 HG2 DAR 101 HG2 DAR 101 55.777 38.690 65.142 449 HG3 DAR 101 HG1 DAR 101 57.287 39.181 65.667 450 HD2 DAR 101 HD2 DAR 101 55.851 39.167 67.757 451 HD3 DAR 101 HD1 DAR 101 56.141 40.716 67.369 452 HE DAR 101 HE DAR 101 53.958 41.249 66.959 453 HH11 DAR 101 1HH2 DAR 101 54.287 37.910 67.696 454 HH12 DAR 101 2HH2 DAR 101 52.557 37.870 68.232 455 HH21 DAR 101 1HH1 DAR 101 51.841 40.837 66.821 456 HH22 DAR 101 2HH1 DAR 101 51.224 39.339 67.623 457 HA DPR 102 HA DPR 102 60.653 40.248 64.694 458 HB2 DPR 102 HB2 DPR 102 61.819 42.702 63.599 459 HB3 DPR 102 HB1 DPR 102 61.687 42.144 65.266 460 HG2 DPR 102 HG2 DPR 102 60.189 44.288 64.419 461 HG3 DPR 102 HG1 DPR 102 59.570 43.055 65.552 462 HD2 DPR 102 HD2 DPR 102 59.228 43.125 62.586 463 HD3 DPR 102 HD1 DPR 102 58.043 42.932 63.921 464 H DAR 103 H DAR 103 60.204 41.158 61.114 465 HA DAR 103 HA DAR 103 62.886 40.189 60.598 466 HB2 DAR 103 HB2 DAR 103 60.498 40.323 58.610 467 HB3 DAR 103 HB1 DAR 103 61.426 41.765 59.191 468 HG2 DAR 103 HG2 DAR 103 63.478 40.602 58.181 469 HG3 DAR 103 HG1 DAR 103 62.580 39.145 57.986 470 HD2 DAR 103 HD2 DAR 103 62.735 40.306 55.851 471 HD3 DAR 103 HD1 DAR 103 61.084 40.508 56.361 472 HE DAR 103 HE DAR 103 62.686 42.786 57.340 473 HH11 DAR 103 1HH2 DAR 103 61.463 41.639 54.200 474 HH12 DAR 103 2HH2 DAR 103 62.463 42.792 53.234 475 HH21 DAR 103 1HH1 DAR 103 63.384 44.376 56.077 476 HH22 DAR 103 2HH1 DAR 103 63.152 44.498 54.372 477 H 2TL 104 H 2TL 104 59.621 38.508 60.317 478 HA 2TL 104 HA 2TL 104 60.794 35.941 59.699 479 HB 2TL 104 HB 2TL 104 58.528 36.732 59.135 480 HG1 2TL 104 HG1 2TL 104 57.470 37.386 60.670 481 HG21 2TL 104 1HG2 2TL 104 59.320 34.300 59.127 482 HG22 2TL 104 2HG2 2TL 104 58.401 34.201 60.682 483 HG23 2TL 104 3HG2 2TL 104 57.621 34.509 59.075 484 H DAR 105 H DAR 105 59.813 37.426 62.745 485 HA DAR 105 HA DAR 105 60.224 35.145 64.524 486 HB2 DAR 105 HB2 DAR 105 60.100 38.211 64.830 487 HB3 DAR 105 HB1 DAR 105 58.834 37.027 65.050 488 HG2 DAR 105 HG2 DAR 105 61.076 36.989 67.045 489 HG3 DAR 105 HG1 DAR 105 59.575 38.004 67.150 490 HD2 DAR 105 HD2 DAR 105 58.155 36.293 67.558 491 HD3 DAR 105 HD1 DAR 105 59.138 35.183 66.646 492 HE DAR 105 HE DAR 105 60.695 35.144 68.703 493 HH11 DAR 105 1HH2 DAR 105 57.483 36.598 69.499 494 HH12 DAR 105 2HH2 DAR 105 57.547 36.067 71.131 495 HH21 DAR 105 1HH1 DAR 105 60.634 34.554 70.696 496 HH22 DAR 105 2HH1 DAR 105 59.241 34.909 71.743 497 H DLE 106 H DLE 106 62.588 37.618 63.270 498 HA DLE 106 HA DLE 106 64.803 36.294 64.811 499 HB2 DLE 106 HB2 DLE 106 66.214 38.090 63.793 500 HB3 DLE 106 HB1 DLE 106 64.808 38.636 62.855 501 HG DLE 106 HG DLE 106 63.645 39.312 65.068 502 HD11 DLE 106 1HD1 DLE 106 64.978 39.159 67.104 503 HD12 DLE 106 2HD1 DLE 106 64.518 37.567 66.535 504 HD13 DLE 106 3HD1 DLE 106 66.218 38.214 66.298 505 HD21 DLE 106 1HD2 DLE 106 65.326 40.869 63.838 506 HD22 DLE 106 2HD2 DLE 106 65.363 41.066 65.587 507 HD23 DLE 106 3HD2 DLE 106 66.643 40.169 64.787 508 H DHI 107 H DHI 107 63.993 36.647 61.156 509 HA DHI 107 HA DHI 107 65.952 34.908 60.372 510 HB2 DHI 107 HB2 DHI 107 63.263 35.521 59.241 511 HB3 DHI 107 HB1 DHI 107 64.610 36.453 58.906 512 HD2 DHI 107 HD2 DHI 107 62.785 33.848 57.220 513 HE1 DHI 107 HE1 DHI 107 66.753 33.497 55.760 514 HE2 DHI 107 HE2 DHI 107 64.282 32.952 55.189 515 H 2TL 108 H 2TL 108 62.933 33.776 61.711 516 HA 2TL 108 HA 2TL 108 63.171 31.006 60.612 517 HB 2TL 108 HB 2TL 108 61.375 30.358 62.032 518 HG1 2TL 108 HG1 2TL 108 60.596 33.008 61.641 519 HG21 2TL 108 1HG2 2TL 108 62.093 31.467 64.253 520 HG22 2TL 108 2HG2 2TL 108 61.608 33.016 63.670 521 HG23 2TL 108 3HG2 2TL 108 60.413 31.611 63.878 522 H DHI 109 H DHI 109 64.872 32.777 63.221 523 HA DHI 109 HA DHI 109 66.018 30.187 63.993 524 HB2 DHI 109 HB2 DHI 109 67.077 31.662 65.871 525 HB3 DHI 109 HB1 DHI 109 66.157 33.021 65.298 526 HD2 DHI 109 HD2 DHI 109 64.006 33.555 66.579 527 HE1 DHI 109 HE1 DHI 109 62.776 29.792 67.934 528 HE2 DHI 109 HE2 DHI 109 62.153 32.117 67.568 529 H DAR 110 H DAR 110 66.727 33.126 62.320 530 HA DAR 110 HA DAR 110 69.639 32.549 62.100 531 HB2 DAR 110 HB2 DAR 110 69.441 34.197 60.131 532 HB3 DAR 110 HB1 DAR 110 67.824 34.180 60.298 533 HG2 DAR 110 HG2 DAR 110 68.075 35.224 62.620 534 HG3 DAR 110 HG1 DAR 110 69.739 35.362 62.178 535 HD2 DAR 110 HD2 DAR 110 69.141 36.724 60.288 536 HD3 DAR 110 HD1 DAR 110 67.403 36.389 60.700 537 HE DAR 110 HE DAR 110 68.784 37.855 62.825 538 HH11 DAR 110 1HH2 DAR 110 66.948 37.989 60.075 539 HH12 DAR 110 2HH2 DAR 110 66.476 39.637 60.234 540 HH21 DAR 110 1HH1 DAR 110 68.113 40.077 63.048 541 HH22 DAR 110 2HH1 DAR 110 67.139 40.762 61.767 542 H DSG 111 H DSG 111 66.733 31.338 60.392 543 HA DSG 111 HA DSG 111 68.454 29.678 58.735 544 HB2 DSG 111 HB2 DSG 111 66.183 28.479 58.724 545 HB3 DSG 111 HB1 DSG 111 65.631 29.832 59.620 546 HD21 DSG 111 1HD2 DSG 111 64.196 29.733 57.446 547 HD22 DSG 111 2HD2 DSG 111 64.938 30.764 56.246 548 H DAR 112 H DAR 112 69.550 28.257 59.182 549 HA DAR 112 HA DAR 112 69.668 27.068 61.983 550 HB2 DAR 112 HB2 DAR 112 71.606 26.844 59.501 551 HB3 DAR 112 HB1 DAR 112 71.842 27.780 60.887 552 HG2 DAR 112 HG2 DAR 112 71.996 24.729 60.796 553 HG3 DAR 112 HG1 DAR 112 73.290 25.773 61.230 554 HD2 DAR 112 HD2 DAR 112 71.537 26.535 63.166 555 HD3 DAR 112 HD1 DAR 112 70.968 24.894 62.823 556 HE DAR 112 HE DAR 112 73.582 24.473 63.094 557 HH11 DAR 112 1HH2 DAR 112 71.604 26.497 65.199 558 HH12 DAR 112 2HH2 DAR 112 72.690 26.257 66.534 559 HH21 DAR 112 1HH1 DAR 112 74.528 23.831 64.917 560 HH22 DAR 112 2HH1 DAR 112 74.196 24.569 66.441
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