NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
21755 |
2i59   |
7272 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
assi
(( resid 6 and name HA ))
(( resid 6 and name HG1 ))
2.820 1.020 1.020
assi
( resid 46 and name HB# )
( resid 50 and name HD# )
3.315 1.515 1.515
assi
(( resid 43 and name HA ))
( resid 46 and name HB# )
3.050 1.250 1.250
assi
( resid 46 and name HB# )
(( resid 66 and name HB ))
3.330 1.530 1.530
assi
( resid 46 and name HB# )
( resid 66 and name HG2#)
2.855 1.055 1.055
assi
( resid 12 and name HB# )
( resid 13 and name HB# )
5.530 0.730 0.730
assi
(( resid 23 and name HA ))
(( resid 26 and name HB1 ))
3.150 1.350 1.350
or
(( resid 23 and name HA ))
(( resid 26 and name HB2 ))
assi
(( resid 124 and name HA ))
(( resid 126 and name HN ))
3.165 1.365 1.365
assi
(( resid 46 and name HA ))
(( resid 49 and name HB2 ))
3.325 1.525 1.525
assi
(( resid 55 and name HA ))
(( resid 56 and name HA ))
3.055 1.255 1.255
assi
(( resid 39 and name HA ))
(( resid 70 and name HA ))
3.070 1.270 1.270
assi
(( resid 75 and name HN ))
( resid 75 and name HB# )
2.635 0.835 0.835
assi
(( resid 72 and name HA ))
( resid 75 and name HB# )
3.240 1.440 1.440
assi
(( resid 72 and name HB1 ))
( resid 75 and name HB# )
3.075 1.275 1.275
assi
(( resid 81 and name HB ))
(( resid 82 and name HN ))
3.090 1.290 1.290
assi
(( resid 82 and name HA ))
(( resid 83 and name HN ))
2.660 0.860 0.860
assi
(( resid 126 and name HN ))
(( resid 127 and name HA ))
4.00 4.000 0.000
assi
(( resid 130 and name HA ))
(( resid 130 and name HG2 ))
2.995 1.195 1.195
assi
(( resid 3 and name HA ))
(( resid 4 and name HN ))
2.525 0.725 0.725
assi
(( resid 104 and name HA ))
(( resid 107 and name HB ))
3.295 1.495 1.495
assi
(( resid 104 and name HA ))
( resid 107 and name HG2#)
3.140 1.340 1.340
assi
(( resid 97 and name HG2 ))
(( resid 98 and name HA ))
3.310 1.510 1.510
or
(( resid 97 and name HG1 ))
(( resid 98 and name HA ))
assi
(( resid 98 and name HA ))
(( resid 98 and name HG ))
2.840 1.040 1.040
assi
(( resid 102 and name HA ))
(( resid 102 and name HD2 ))
3.430 1.630 1.630
assi
(( resid 121 and name HA ))
(( resid 122 and name HA ))
3.150 1.350 1.350
assi
(( resid 42 and name HA ))
( resid 46 and name HB# )
2.945 1.145 1.145
assi
(( resid 34 and name HA ))
(( resid 34 and name HE2 ))
3.650 1.850 1.850
assi
(( resid 34 and name HA ))
(( resid 34 and name HE1 ))
3.650 1.850 1.850
assi
(( resid 61 and name HN ))
(( resid 61 and name HG1 ))
2.940 1.140 1.140
assi
(( resid 30 and name HA ))
(( resid 30 and name HG1 ))
2.925 1.125 1.125
assi
(( resid 30 and name HN ))
(( resid 30 and name HG2 ))
2.990 1.190 1.190
assi
(( resid 30 and name HA ))
(( resid 30 and name HG2 ))
2.925 1.125 1.125
assi
(( resid 60 and name HN ))
(( resid 60 and name HG1 ))
2.920 1.120 1.120
assi
(( resid 61 and name HN ))
(( resid 61 and name HG2 ))
2.940 1.140 1.140
assi
(( resid 47 and name HN ))
( resid 66 and name HG2#)
3.340 1.540 1.540
assi
(( resid 90 and name HA ))
(( resid 90 and name HD2 ))
3.605 1.805 1.805
assi
(( resid 90 and name HA ))
(( resid 90 and name HD1 ))
3.605 1.805 1.805
assi
(( resid 91 and name HN ))
(( resid 91 and name HG12))
3.315 1.515 1.515
assi
(( resid 91 and name HN ))
(( resid 91 and name HG11))
3.315 1.515 1.515
assi
(( resid 91 and name HB ))
( resid 91 and name HD1#)
2.900 1.100 1.100
assi
(( resid 87 and name HB1 ))
( resid 91 and name HD1#)
3.135 1.335 1.335
assi
( resid 91 and name HD1#)
( resid 99 and name HE# )
3.205 1.405 1.405
assi
( resid 91 and name HG2#)
( resid 91 and name HD1#)
2.760 0.960 0.960
assi
(( resid 89 and name HG2 ))
(( resid 90 and name HN ))
3.650 1.850 1.850
assi
(( resid 89 and name HG1 ))
(( resid 90 and name HN ))
3.650 1.850 1.850
assi
(( resid 93 and name HA ))
(( resid 93 and name HG2 ))
3.015 1.215 1.215
assi
(( resid 93 and name HA ))
(( resid 93 and name HG1 ))
3.015 1.215 1.215
! assi
! ( resid 5 and name HD2#)
! (( resid 27 and name HG1 ))
! 3.900 2.100 2.100
assi
(( resid 25 and name HA ))
( resid 25 and name HG2#)
2.830 1.030 1.030
assi
( resid 79 and name HG1#)
( resid 107 and name HD1#)
2.855 1.055 1.055
assi
(( resid 131 and name HN ))
( resid 131 and name HG2#)
2.975 1.175 1.175
assi
(( resid 19 and name HB2 ))
( resid 19 and name HD1#)
3.005 1.205 1.205
assi
(( resid 19 and name HB1 ))
( resid 19 and name HD2#)
2.985 1.185 1.185
assi
(( resid 50 and name HB2 ))
( resid 66 and name HD1#)
3.535 1.735 1.735
assi
(( resid 50 and name HB1 ))
( resid 66 and name HD1#)
3.535 1.735 1.735
assi
(( resid 94 and name HN ))
(( resid 94 and name HG2 ))
3.585 1.785 1.785
assi
(( resid 94 and name HN ))
(( resid 94 and name HG1 ))
3.585 1.785 1.785
assi
( resid 79 and name HG1#)
( resid 81 and name HG2#)
3.180 1.380 1.380
! assi
! ( resid 5 and name HD1#)
! (( resid 27 and name HG2 ))
! 3.900 2.100 2.100
assi
( resid 67 and name HE# )
( resid 87 and name HD1#)
3.015 1.215 1.215
assi
( resid 79 and name HG1#)
( resid 81 and name HG1#)
3.180 1.380 1.380
assi
( resid 79 and name HG2#)
( resid 81 and name HG1#)
3.180 1.380 1.380
assi
(( resid 42 and name HN ))
( resid 42 and name HD1#)
3.395 1.595 1.595
assi
(( resid 30 and name HA ))
(( resid 33 and name HB1 ))
2.835 1.035 1.035
assi
( resid 99 and name HE# )
(( resid 100 and name HZ ))
3.130 1.330 1.330
assi
( resid 99 and name HE# )
( resid 100 and name HE# )
3.210 1.410 1.410
assi
(( resid 36 and name HA ))
( resid 36 and name HD# )
2.660 0.860 0.860
assi
(( resid 36 and name HA ))
( resid 36 and name HE# )
4.550 4.550 0.0
assi
( resid 36 and name HD# )
(( resid 36 and name HZ ))
4.550 4.550 0.0
assi
(( resid 43 and name HA ))
( resid 43 and name HD# )
2.815 1.015 1.015
assi
(( resid 50 and name HA ))
( resid 50 and name HD# )
2.915 1.115 1.115
assi
(( resid 119 and name HA ))
( resid 119 and name HD# )
2.890 1.090 1.090
assi
(( resid 67 and name HA ))
( resid 67 and name HD# )
2.600 0.800 0.800
assi
(( resid 11 and name HA ))
(( resid 11 and name HD1 ))
2.740 0.940 0.940
assi
(( resid 11 and name HD1 ))
(( resid 18 and name HA ))
2.930 1.130 1.130
assi
(( resid 44 and name HD1 ))
(( resid 107 and name HB ))
3.385 1.585 1.585
assi
(( resid 44 and name HD1 ))
( resid 111 and name HE# )
3.100 1.300 1.300
assi
(( resid 113 and name HA ))
( resid 113 and name HD# )
2.580 0.780 0.780
assi
( resid 67 and name HD# )
(( resid 87 and name HB1 ))
2.985 1.185 1.185
assi
( resid 67 and name HD# )
(( resid 71 and name HB2 ))
2.800 1.000 1.000
assi
(( resid 125 and name HA ))
( resid 125 and name HD# )
2.895 1.095 1.095
assi
(( resid 125 and name HN ))
( resid 125 and name HD# )
2.915 1.115 1.115
assi
( resid 125 and name HD# )
( resid 126 and name HD1#)
3.330 1.530 1.530
assi
( resid 125 and name HD# )
( resid 126 and name HD2#)
3.330 1.530 1.530
assi
(( resid 108 and name HA ))
( resid 108 and name HD# )
2.965 1.165 1.165
assi
( resid 50 and name HD# )
(( resid 62 and name HB2 ))
2.895 1.095 1.095
assi
( resid 50 and name HE# )
( resid 63 and name HB# )
2.885 1.085 1.085
assi
( resid 50 and name HD# )
( resid 66 and name HD1#)
2.975 1.175 1.175
assi
( resid 50 and name HD# )
(( resid 59 and name HG1 ))
2.890 1.090 1.090
assi
( resid 50 and name HD# )
(( resid 59 and name HG2 ))
2.890 1.090 1.090
assi
( resid 50 and name HD# )
( resid 63 and name HB# )
6.220 1.420 1.420
assi
( resid 50 and name HD# )
(( resid 51 and name HA ))
3.155 1.355 1.355
assi
(( resid 28 and name HB2 ))
( resid 119 and name HD# )
2.950 1.150 1.150
assi
( resid 28 and name HD# )
(( resid 32 and name HG ))
2.820 1.020 1.020
assi
(( resid 28 and name HA ))
( resid 28 and name HD# )
2.795 0.995 0.995
assi
( resid 28 and name HE# )
(( resid 32 and name HG ))
2.840 1.040 1.040
assi
(( resid 28 and name HA ))
( resid 28 and name HE# )
6.000 6.000 0.000
assi
( resid 67 and name HE# )
(( resid 87 and name HB1 ))
2.995 1.195 1.195
assi
( resid 67 and name HE# )
(( resid 87 and name HB2 ))
2.895 1.095 1.095
assi
(( resid 67 and name HA ))
( resid 67 and name HE# )
4.550 4.550 0.000
assi
( resid 67 and name HE# )
(( resid 71 and name HB1 ))
3.140 1.340 1.340
assi
( resid 67 and name HE# )
(( resid 71 and name HB2 ))
2.885 1.085 1.085
assi
(( resid 113 and name HA ))
( resid 113 and name HE# )
3.505 1.705 1.705
assi
( resid 116 and name HE# )
( resid 120 and name HD2#)
3.315 1.515 1.515
assi
(( resid 10 and name HB2 ))
(( resid 11 and name HZ2 ))
3.650 1.850 1.850
assi
(( resid 10 and name HB1 ))
(( resid 11 and name HZ2 ))
3.650 1.850 1.850
assi
(( resid 119 and name HA ))
( resid 119 and name HE# )
6.000 6.000 0.000
assi
( resid 50 and name HD# )
(( resid 59 and name HA ))
2.920 1.120 1.120
assi
( resid 36 and name HD# )
(( resid 36 and name HA ))
2.885 1.085 1.085
assi
( resid 50 and name HD# )
(( resid 62 and name HB1 ))
2.895 1.095 1.095
assi
(( resid 50 and name HA ))
( resid 50 and name HE# )
4.550 4.550 0.000
assi
( resid 63 and name HB# )
( resid 66 and name HD1#)
3.650 1.850 1.850
assi
(( resid 11 and name HE3 ))
( resid 125 and name HE# )
5.000 5.000 0.000
!
! it was too tight...
!
assi
( resid 67 and name HD# )
(( resid 71 and name HB1 ))
2.930 1.130 1.130
assi
(( resid 20 and name HA ))
(( resid 21 and name HA ))
3.285 1.485 1.485
assi
(( resid 76 and name HA ))
(( resid 77 and name HA ))
3.155 1.355 1.355
assi
(( resid 12 and name HA ))
(( resid 14 and name HA ))
3.575 1.775 1.775
assi
(( resid 13 and name HA ))
(( resid 14 and name HA ))
3.650 1.850 1.850
assi
(( resid 62 and name HA ))
(( resid 65 and name HB2 ))
3.150 1.350 1.350
assi
(( resid 62 and name HA ))
(( resid 65 and name HB1 ))
3.150 1.350 1.350
assi
(( resid 102 and name HA ))
(( resid 105 and name HB2 ))
3.195 1.395 1.395
assi
(( resid 102 and name HA ))
(( resid 105 and name HB1 ))
3.195 1.395 1.395
assi
(( resid 107 and name HG11))
(( resid 111 and name HA ))
3.620 1.820 1.820
assi
(( resid 103 and name HA ))
( resid 103 and name HD1#)
2.800 1.000 1.000
assi
(( resid 130 and name HA ))
(( resid 130 and name HG1 ))
2.995 1.195 1.195
assi
(( resid 3 and name HA ))
(( resid 4 and name HA ))
3.150 1.350 1.350
assi
(( resid 12 and name HA ))
( resid 120 and name HD2#)
2.860 1.060 1.060
assi
(( resid 107 and name HA ))
(( resid 110 and name HB1 ))
3.075 1.275 1.275
assi
(( resid 107 and name HA ))
(( resid 110 and name HB2 ))
3.075 1.275 1.275
assi
(( resid 84 and name HA ))
(( resid 84 and name HG2 ))
3.010 1.210 1.210
assi
(( resid 73 and name HA ))
(( resid 74 and name HA ))
3.215 1.415 1.415
assi
(( resid 116 and name HA ))
( resid 116 and name HD# )
2.995 1.195 1.195
assi
(( resid 65 and name HA ))
(( resid 66 and name HA ))
3.350 1.550 1.550
assi
(( resid 53 and name HA ))
(( resid 53 and name HG1 ))
3.010 1.210 1.210
assi
(( resid 53 and name HA ))
(( resid 53 and name HG2 ))
3.010 1.210 1.210
assi
(( resid 52 and name HA ))
(( resid 53 and name HA ))
3.080 1.280 1.280
assi
(( resid 7 and name HA ))
(( resid 8 and name HA ))
3.465 1.665 1.665
assi
(( resid 56 and name HA ))
(( resid 56 and name HD2 ))
3.200 1.400 1.400
assi
(( resid 56 and name HA ))
(( resid 56 and name HD1 ))
3.200 1.400 1.400
assi
(( resid 60 and name HA ))
( resid 63 and name HB# )
2.895 1.095 1.095
assi
(( resid 71 and name HB2 ))
(( resid 72 and name HA ))
3.560 1.760 1.760
assi
(( resid 68 and name HA ))
(( resid 72 and name HB1 ))
2.920 1.120 1.120
assi
(( resid 69 and name HA ))
( resid 69 and name HG2#)
2.745 0.945 0.945
assi
(( resid 45 and name HA ))
( resid 45 and name HD1#)
3.005 1.205 1.205
assi
(( resid 92 and name HA ))
( resid 99 and name HE# )
3.475 1.675 1.675
assi
(( resid 68 and name HA ))
(( resid 72 and name HB2 ))
2.920 1.120 1.120
assi
(( resid 130 and name HA ))
(( resid 130 and name HD2 ))
3.345 1.545 1.545
assi
(( resid 130 and name HA ))
(( resid 130 and name HD1 ))
3.345 1.545 1.545
assi
(( resid 113 and name HB1 ))
(( resid 114 and name HB2 ))
3.650 1.850 1.850
assi
(( resid 113 and name HB1 ))
(( resid 114 and name HB1 ))
3.650 1.850 1.850
assi
(( resid 106 and name HA ))
(( resid 106 and name HG1 ))
2.980 1.180 1.180
assi
(( resid 46 and name HA ))
(( resid 49 and name HB1 ))
3.325 1.525 1.525
assi
(( resid 106 and name HA ))
(( resid 106 and name HG2 ))
2.980 1.180 1.180
assi
(( resid 27 and name HA ))
(( resid 30 and name HG1 ))
2.930 1.130 1.130
assi
(( resid 84 and name HA ))
(( resid 84 and name HG1 ))
3.010 1.210 1.210
assi
(( resid 54 and name HA ))
(( resid 54 and name HG2 ))
3.025 1.225 1.225
assi
(( resid 54 and name HA ))
(( resid 54 and name HG1 ))
3.025 1.225 1.225
assi
(( resid 27 and name HA ))
(( resid 30 and name HG2 ))
2.930 1.130 1.130
assi
(( resid 22 and name HA ))
(( resid 25 and name HB ))
2.840 1.040 1.040
assi
(( resid 97 and name HG2 ))
(( resid 98 and name HG ))
2.935 1.135 1.135
or
(( resid 97 and name HG1 ))
(( resid 98 and name HG ))
assi
( resid 107 and name HG2#)
(( resid 107 and name HG12))
2.855 1.055 1.055
assi
(( resid 87 and name HA ))
(( resid 87 and name HG ))
2.955 1.155 1.155
! assi
! (( resid 71 and name HB1 ))
! (( resid 87 and name HB2 ))
! 2.935 1.135 1.135
!
! suspicious !!!
!
assi
(( resid 30 and name HA ))
(( resid 33 and name HB2 ))
2.835 1.035 1.035
assi
(( resid 41 and name HA ))
( resid 111 and name HE# )
3.070 1.270 1.270
assi
(( resid 108 and name HA ))
( resid 111 and name HE# )
2.810 1.010 1.010
assi
( resid 107 and name HG2#)
( resid 111 and name HE# )
2.620 0.820 0.820
assi
( resid 15 and name HD1#)
( resid 111 and name HE# )
4.500 4.500 0.000
assi
( resid 19 and name HD1#)
( resid 111 and name HE# )
3.210 1.410 1.410
assi
(( resid 124 and name HA ))
(( resid 124 and name HG ))
3.000 1.200 1.200
assi
(( resid 102 and name HA ))
(( resid 102 and name HD1 ))
3.430 1.630 1.630
assi
(( resid 107 and name HG12))
( resid 111 and name HE# )
3.240 1.240 1.240
assi
(( resid 107 and name HG11))
( resid 111 and name HE# )
3.240 1.240 1.240
assi
( resid 63 and name HB# )
(( resid 100 and name HZ ))
2.885 1.085 1.085
assi
( resid 63 and name HB# )
( resid 100 and name HE# )
3.020 1.220 1.220
assi
(( resid 127 and name HA ))
(( resid 127 and name HD2 ))
3.375 1.575 1.575
assi
(( resid 127 and name HA ))
(( resid 127 and name HD1 ))
3.375 1.575 1.575
assi
( resid 63 and name HB# )
( resid 99 and name HE# )
2.595 0.795 0.795
assi
(( resid 95 and name HA ))
( resid 99 and name HE# )
2.845 1.045 1.045
assi
(( resid 99 and name HA ))
( resid 99 and name HE# )
4.500 4.500 0.000
assi
( resid 66 and name HD1#)
( resid 99 and name HE# )
4.500 4.500 0.000
! assi
! (( resid 71 and name HG ))
! (( resid 87 and name HB2 ))
! 3.535 1.735 1.735
!
! suspicious !!!!
!
assi
( resid 12 and name HB# )
(( resid 125 and name HZ ))
2.870 1.070 1.070
assi
(( resid 6 and name HA ))
(( resid 6 and name HG2 ))
2.820 1.020 1.020
assi
( resid 46 and name HB# )
( resid 66 and name HD1#)
4.300 4.300 0.000
assi
(( resid 57 and name HA ))
( resid 57 and name HG2#)
2.605 0.805 0.805
assi
(( resid 131 and name HA ))
( resid 131 and name HG2#)
2.630 0.830 0.830
assi
(( resid 45 and name HA ))
( resid 45 and name HD2#)
3.005 1.205 1.205
assi
( resid 75 and name HB# )
(( resid 78 and name HA ))
2.840 1.040 1.040
assi
(( resid 72 and name HB2 ))
( resid 75 and name HB# )
3.075 1.275 1.275
assi
(( resid 103 and name HA ))
( resid 103 and name HD2#)
2.800 1.000 1.000
assi
(( resid 32 and name HG ))
(( resid 41 and name HA ))
4.930 1.130 1.130
! assi
! (( resid 66 and name HG11))
! ( resid 87 and name HD2#)
! 3.650 1.850 1.850
!
! suspicious !!!
!
assi
(( resid 87 and name HB1 ))
( resid 87 and name HD2#)
2.825 1.025 1.025
assi
(( resid 91 and name HA ))
( resid 91 and name HG2#)
2.680 0.880 0.880
assi
( resid 91 and name HG2#)
( resid 99 and name HE# )
2.820 1.020 1.020
assi
( resid 91 and name HG2#)
(( resid 91 and name HG12))
2.995 1.195 1.195
assi
( resid 91 and name HG2#)
(( resid 91 and name HG11))
2.995 1.195 1.195
assi
(( resid 87 and name HB1 ))
( resid 87 and name HD1#)
2.825 1.025 1.025
assi
(( resid 91 and name HA ))
( resid 91 and name HD1#)
3.035 1.235 1.235
! assi
! (( resid 66 and name HG11))
! ( resid 87 and name HD1#)
! 3.650 1.850 1.850
!
! suspicious !
!
assi
(( resid 25 and name HA ))
( resid 25 and name HG1#)
2.830 1.030 1.030
assi
(( resid 81 and name HA ))
( resid 107 and name HD1#)
3.545 1.745 1.745
assi
( resid 107 and name HD1#)
(( resid 111 and name HA ))
3.650 1.850 1.850
assi
(( resid 107 and name HA ))
( resid 107 and name HD1#)
2.680 0.880 0.880
assi
(( resid 107 and name HB ))
( resid 107 and name HD1#)
2.950 1.150 1.150
assi
( resid 107 and name HG2#)
( resid 107 and name HD1#)
4.500 4.500 0.000
assi
( resid 79 and name HG2#)
( resid 107 and name HD1#)
2.855 1.055 1.055
assi
(( resid 81 and name HA ))
( resid 81 and name HG2#)
2.815 1.015 1.015
assi
(( resid 81 and name HA ))
( resid 81 and name HG1#)
2.815 1.015 1.015
assi
( resid 79 and name HG2#)
( resid 81 and name HG2#)
3.180 1.380 1.380
assi
(( resid 32 and name HA ))
( resid 32 and name HD2#)
3.000 1.200 1.200
assi
( resid 8 and name HG2#)
( resid 125 and name HE# )
5.000 5.000 0.000
assi
( resid 8 and name HG2#)
(( resid 125 and name HZ ))
5.000 5.000 0.000
assi
( resid 8 and name HG2#)
(( resid 11 and name HH2 ))
5.500 5.500 0.000
assi
( resid 8 and name HG2#)
(( resid 11 and name HZ3 ))
4.500 4.500 0.000
assi
(( resid 7 and name HA ))
( resid 8 and name HG2#)
5.200 5.200 0.000
!
! was too tight
!
assi
(( resid 63 and name HA ))
( resid 66 and name HD1#)
3.035 1.235 1.235
assi
(( resid 47 and name HA ))
( resid 66 and name HD1#)
3.080 1.280 1.280
! assi
! ( resid 66 and name HD1#)
! (( resid 87 and name HG ))
! 3.485 1.685 1.685
!
! suspicious !!!
!
assi
(( resid 66 and name HB ))
( resid 66 and name HD1#)
2.835 1.035 1.035
assi
(( resid 19 and name HB2 ))
( resid 19 and name HD2#)
3.005 1.205 1.205
assi
( resid 18 and name HD1#)
( resid 28 and name HE# )
2.950 1.150 1.150
assi
( resid 12 and name HB# )
( resid 120 and name HD2#)
2.825 1.025 1.025
assi
( resid 43 and name HD# )
( resid 66 and name HG2#)
2.870 1.070 1.070
assi
( resid 66 and name HG2#)
( resid 66 and name HD1#)
2.720 0.920 0.920
assi
(( resid 32 and name HA ))
( resid 32 and name HD1#)
3.000 1.200 1.200
assi
( resid 18 and name HD2#)
( resid 28 and name HE# )
2.950 1.150 1.150
assi
( resid 116 and name HE# )
( resid 120 and name HD1#)
3.315 1.515 1.515
assi
(( resid 12 and name HA ))
( resid 120 and name HD1#)
2.860 1.060 1.060
assi
( resid 12 and name HB# )
( resid 120 and name HD1#)
2.825 1.025 1.025
assi
(( resid 19 and name HB1 ))
( resid 19 and name HD1#)
2.985 1.185 1.185
assi
(( resid 124 and name HA ))
( resid 124 and name HD1#)
4.500 4.500 0.000
assi
(( resid 124 and name HA ))
( resid 124 and name HD2#)
4.500 4.500 0.000
assi
( resid 66 and name HD1#)
( resid 100 and name HE# )
3.125 1.325 1.325
assi
( resid 46 and name HB# )
(( resid 66 and name HG12))
3.205 1.405 1.405
assi
( resid 50 and name HE# )
( resid 66 and name HG2#)
3.120 1.320 1.320
assi
(( resid 79 and name HB ))
( resid 107 and name HD1#)
3.095 1.295 1.295
assi
(( resid 44 and name HD1 ))
( resid 107 and name HG2#)
3.145 1.345 1.345
assi
( resid 43 and name HD# )
( resid 107 and name HG2#)
2.970 1.170 1.170
assi
( resid 43 and name HD# )
(( resid 107 and name HB ))
3.180 1.380 1.380
assi
( resid 43 and name HD# )
( resid 107 and name HD1#)
3.220 1.420 1.420
assi
( resid 19 and name HD1#)
(( resid 44 and name HH2 ))
3.185 1.385 1.385
assi
( resid 19 and name HD2#)
(( resid 44 and name HH2 ))
3.185 1.385 1.385
assi
(( resid 87 and name HA ))
( resid 87 and name HD2#)
2.950 1.150 1.150
assi
(( resid 87 and name HA ))
( resid 87 and name HD1#)
2.950 1.150 1.150
assi
( resid 67 and name HE# )
( resid 87 and name HD2#)
3.015 1.215 1.215
assi
( resid 19 and name HD2#)
( resid 111 and name HE# )
3.210 1.410 1.410
assi
( resid 15 and name HD2#)
( resid 111 and name HE# )
3.255 1.455 1.455
assi
(( resid 107 and name HB ))
( resid 111 and name HE# )
5.000 5.000 0.000
! assi
! (( resid 44 and name HA ))
! ( resid 111 and name HE# )
! 6.500 6.500 0.000
!
! too tight
!
assi
(( resid 44 and name HB1 ))
( resid 111 and name HE# )
4.500 4.500 0.000
or
assi
(( resid 44 and name HB2 ))
( resid 111 and name HE# )
assi
( resid 43 and name HD# )
( resid 71 and name HD1#)
3.245 1.445 1.445
assi
( resid 43 and name HD# )
( resid 71 and name HD2#)
3.245 1.445 1.445
assi
( resid 67 and name HE# )
(( resid 72 and name HA ))
3.200 1.400 1.400
assi
(( resid 51 and name HN ))
(( resid 51 and name HG2 ))
3.230 1.430 1.430
assi
(( resid 51 and name HN ))
(( resid 51 and name HG1 ))
3.230 1.430 1.430
assi
(( resid 52 and name HN ))
(( resid 52 and name HG2 ))
3.105 1.305 1.305
assi
(( resid 52 and name HN ))
(( resid 52 and name HG1 ))
3.105 1.305 1.305
assi
(( resid 58 and name HN ))
(( resid 58 and name HG1 ))
3.150 1.350 1.350
assi
(( resid 58 and name HN ))
(( resid 58 and name HG2 ))
3.150 1.350 1.350
assi
( resid 71 and name HD2#)
(( resid 72 and name HN ))
3.495 1.695 1.695
assi
( resid 71 and name HD1#)
(( resid 72 and name HN ))
3.495 1.695 1.695
assi
(( resid 89 and name HN ))
(( resid 89 and name HG2 ))
3.555 1.755 1.755
assi
(( resid 89 and name HN ))
(( resid 89 and name HG1 ))
3.555 1.755 1.755
assi
(( resid 98 and name HN ))
(( resid 98 and name HG ))
2.825 1.025 1.025
assi
(( resid 103 and name HB1 ))
(( resid 104 and name HN ))
3.090 1.290 1.290
assi
(( resid 104 and name HN ))
(( resid 104 and name HB1 ))
2.820 1.020 1.020
assi
(( resid 120 and name HN ))
(( resid 120 and name HG ))
2.825 1.025 1.025
assi
(( resid 120 and name HN ))
( resid 120 and name HD1#)
3.110 1.310 1.310
assi
(( resid 10 and name HN ))
(( resid 10 and name HB2 ))
2.980 1.180 1.180
assi
(( resid 10 and name HN ))
(( resid 10 and name HB1 ))
2.980 1.180 1.180
assi
(( resid 18 and name HB1 ))
(( resid 19 and name HN ))
3.110 1.310 1.310
assi
(( resid 29 and name HN ))
(( resid 29 and name HD2 ))
3.485 1.685 1.685
assi
(( resid 29 and name HN ))
(( resid 29 and name HD1 ))
3.485 1.685 1.685
assi
(( resid 45 and name HN ))
(( resid 45 and name HG ))
2.870 1.070 1.070
assi
(( resid 45 and name HN ))
( resid 45 and name HD2#)
3.070 1.270 1.270
assi
(( resid 45 and name HN ))
( resid 45 and name HD1#)
3.070 1.270 1.270
assi
(( resid 44 and name HE1 ))
( resid 108 and name HD# )
2.940 1.140 1.140
assi
(( resid 44 and name HE1 ))
(( resid 108 and name HA ))
3.085 1.285 1.285
assi
(( resid 44 and name HE1 ))
(( resid 108 and name HB2 ))
3.265 1.465 1.465
assi
(( resid 44 and name HE1 ))
(( resid 108 and name HB1 ))
3.265 1.465 1.465
assi
(( resid 55 and name HA ))
(( resid 56 and name HN ))
2.640 0.840 0.840
assi
(( resid 118 and name HN ))
(( resid 119 and name HN ))
2.885 1.085 1.085
assi
(( resid 119 and name HN ))
(( resid 120 and name HN ))
2.840 1.040 1.040
assi
(( resid 119 and name HN ))
( resid 119 and name HD# )
3.060 1.260 1.260
assi
(( resid 118 and name HB1 ))
(( resid 119 and name HN ))
3.440 1.640 1.640
assi
(( resid 118 and name HB2 ))
(( resid 119 and name HN ))
3.440 1.640 1.640
assi
(( resid 82 and name HN ))
(( resid 83 and name HN ))
3.160 1.360 1.360
assi
(( resid 81 and name HN ))
(( resid 82 and name HN ))
3.050 1.250 1.250
assi
(( resid 81 and name HA ))
(( resid 82 and name HN ))
2.450 0.650 0.650
assi
( resid 81 and name HG1#)
(( resid 82 and name HN ))
3.295 1.495 1.495
assi
( resid 81 and name HG2#)
(( resid 82 and name HN ))
3.295 1.495 1.495
assi
(( resid 38 and name HN ))
(( resid 39 and name HN ))
2.980 1.180 1.180
assi
(( resid 37 and name HN ))
(( resid 38 and name HN ))
2.840 1.040 1.040
assi
(( resid 38 and name HN ))
(( resid 38 and name HB1 ))
2.835 1.035 1.035
assi
(( resid 38 and name HN ))
(( resid 38 and name HB2 ))
2.835 1.035 1.035
assi
(( resid 15 and name HN ))
( resid 116 and name HE# )
3.125 1.325 1.325
assi
(( resid 14 and name HA ))
(( resid 15 and name HN ))
2.580 0.780 0.780
assi
(( resid 44 and name HD1 ))
(( resid 108 and name HN ))
3.610 1.810 1.810
assi
(( resid 108 and name HN ))
( resid 108 and name HD# )
3.065 1.265 1.265
assi
(( resid 107 and name HB ))
(( resid 108 and name HN ))
3.030 1.230 1.230
assi
( resid 107 and name HG2#)
(( resid 108 and name HN ))
3.130 1.330 1.330
assi
(( resid 74 and name HN ))
(( resid 75 and name HN ))
3.020 1.220 1.220
assi
(( resid 9 and name HN ))
(( resid 10 and name HN ))
2.790 0.990 0.990
assi
(( resid 8 and name HB ))
(( resid 9 and name HN ))
3.165 1.365 1.365
assi
(( resid 9 and name HN ))
( resid 9 and name HB# )
2.510 0.710 0.710
assi
(( resid 45 and name HN ))
(( resid 46 and name HN ))
2.930 1.130 1.130
assi
(( resid 44 and name HN ))
(( resid 46 and name HN ))
3.100 1.300 1.300
assi
(( resid 46 and name HN ))
(( resid 47 and name HN ))
2.795 0.995 0.995
assi
(( resid 45 and name HB1 ))
(( resid 46 and name HN ))
2.910 1.110 1.110
assi
(( resid 45 and name HB2 ))
(( resid 46 and name HN ))
2.910 1.110 1.110
assi
(( resid 46 and name HN ))
( resid 46 and name HB# )
2.505 0.705 0.705
assi
(( resid 65 and name HN ))
(( resid 66 and name HN ))
2.905 1.105 1.105
assi
(( resid 63 and name HA ))
(( resid 66 and name HN ))
3.100 1.300 1.300
assi
(( resid 65 and name HB2 ))
(( resid 66 and name HN ))
3.150 1.350 1.350
assi
(( resid 65 and name HB1 ))
(( resid 66 and name HN ))
3.150 1.350 1.350
assi
(( resid 66 and name HN ))
(( resid 66 and name HG12))
2.775 0.975 0.975
assi
(( resid 66 and name HN ))
(( resid 66 and name HB ))
2.790 0.990 0.990
assi
(( resid 66 and name HN ))
( resid 66 and name HG2#)
2.955 1.155 1.155
assi
(( resid 115 and name HN ))
(( resid 116 and name HN ))
3.110 1.310 1.310
assi
(( resid 116 and name HN ))
( resid 116 and name HD# )
3.090 1.290 1.290
assi
(( resid 116 and name HN ))
(( resid 117 and name HN ))
2.845 1.045 1.045
assi
(( resid 116 and name HN ))
(( resid 116 and name HB1 ))
2.860 1.060 1.060
assi
(( resid 116 and name HN ))
(( resid 116 and name HB2 ))
2.860 1.060 1.060
assi
(( resid 79 and name HA ))
(( resid 80 and name HN ))
2.480 0.680 0.680
assi
(( resid 80 and name HN ))
(( resid 80 and name HB1 ))
2.835 1.035 1.035
assi
(( resid 80 and name HN ))
(( resid 80 and name HB2 ))
2.835 1.035 1.035
assi
(( resid 79 and name HB ))
(( resid 80 and name HN ))
2.785 0.985 0.985
assi
( resid 79 and name HG2#)
(( resid 80 and name HN ))
3.160 1.360 1.360
assi
( resid 79 and name HG1#)
(( resid 80 and name HN ))
3.160 1.360 1.360
assi
(( resid 24 and name HN ))
(( resid 25 and name HN ))
2.685 0.885 0.885
assi
(( resid 25 and name HN ))
(( resid 26 and name HN ))
2.780 0.980 0.980
assi
(( resid 25 and name HN ))
(( resid 25 and name HB ))
2.585 0.785 0.785
assi
(( resid 25 and name HN ))
( resid 25 and name HG2#)
2.995 1.195 1.195
assi
(( resid 61 and name HN ))
(( resid 63 and name HN ))
3.370 1.570 1.570
assi
(( resid 63 and name HN ))
(( resid 65 and name HN ))
3.495 1.695 1.695
assi
( resid 50 and name HE# )
(( resid 63 and name HN ))
2.940 1.140 1.140
assi
(( resid 62 and name HB1 ))
(( resid 63 and name HN ))
2.860 1.060 1.060
assi
(( resid 62 and name HB2 ))
(( resid 63 and name HN ))
2.860 1.060 1.060
assi
(( resid 63 and name HN ))
( resid 63 and name HB# )
2.540 0.740 0.740
assi
(( resid 129 and name HN ))
(( resid 130 and name HN ))
3.160 1.360 1.360
assi
(( resid 86 and name HA ))
(( resid 87 and name HN ))
2.470 0.670 0.670
assi
(( resid 87 and name HN ))
(( resid 87 and name HB1 ))
2.850 1.050 1.050
assi
(( resid 41 and name HN ))
(( resid 42 and name HN ))
2.820 1.020 1.020
assi
(( resid 39 and name HA ))
(( resid 42 and name HN ))
3.115 1.315 1.315
assi
(( resid 42 and name HN ))
(( resid 42 and name HB1 ))
2.915 1.115 1.115
assi
(( resid 42 and name HN ))
(( resid 42 and name HB2 ))
2.915 1.115 1.115
assi
(( resid 42 and name HN ))
(( resid 42 and name HG ))
2.990 1.190 1.190
assi
(( resid 42 and name HN ))
( resid 42 and name HD2#)
3.395 1.595 1.595
assi
(( resid 100 and name HN ))
(( resid 101 and name HN ))
2.690 0.890 0.890
assi
(( resid 101 and name HN ))
(( resid 101 and name HG2 ))
3.185 1.385 1.385
assi
(( resid 101 and name HN ))
(( resid 101 and name HG1 ))
3.185 1.385 1.385
assi
(( resid 41 and name HB ))
(( resid 42 and name HN ))
3.175 1.375 1.375
assi
(( resid 107 and name HN ))
(( resid 107 and name HG12))
3.360 1.560 1.560
assi
(( resid 107 and name HN ))
(( resid 107 and name HG11))
3.180 1.380 1.380
assi
(( resid 58 and name HN ))
(( resid 59 and name HN ))
2.665 0.865 0.865
assi
(( resid 6 and name HN ))
(( resid 7 and name HN ))
3.015 1.215 1.215
assi
(( resid 57 and name HB ))
(( resid 58 and name HN ))
2.640 0.840 0.840
assi
(( resid 58 and name HN ))
(( resid 58 and name HB1 ))
2.735 0.935 0.935
assi
(( resid 58 and name HN ))
(( resid 58 and name HB2 ))
2.735 0.935 0.935
assi
( resid 57 and name HG2#)
(( resid 58 and name HN ))
3.205 1.405 1.405
assi
( resid 131 and name HG2#)
(( resid 132 and name HN ))
3.315 1.515 1.515
assi
(( resid 12 and name HN ))
(( resid 13 and name HN ))
3.120 1.320 1.320
assi
(( resid 13 and name HN ))
(( resid 14 and name HA ))
3.650 1.850 1.850
assi
(( resid 12 and name HA ))
(( resid 13 and name HN ))
2.545 0.745 0.745
assi
(( resid 13 and name HN ))
( resid 13 and name HB# )
2.410 0.610 0.610
assi
( resid 12 and name HB# )
(( resid 13 and name HN ))
2.750 0.950 0.950
assi
(( resid 17 and name HN ))
(( resid 18 and name HN ))
2.750 0.950 0.950
assi
(( resid 18 and name HN ))
(( resid 20 and name HN ))
2.860 1.060 1.060
assi
(( resid 14 and name HA ))
(( resid 18 and name HN ))
5.000 5.000 0.000
!
! too tight
!
assi
(( resid 16 and name HA ))
(( resid 18 and name HN ))
3.545 1.745 1.745
assi
(( resid 17 and name HB1 ))
(( resid 18 and name HN ))
2.585 0.785 0.785
assi
(( resid 17 and name HB2 ))
(( resid 18 and name HN ))
3.050 1.250 1.250
assi
(( resid 18 and name HN ))
(( resid 18 and name HB1 ))
2.790 0.990 0.990
assi
(( resid 18 and name HN ))
(( resid 18 and name HB2 ))
2.790 0.990 0.990
assi
(( resid 18 and name HN ))
(( resid 19 and name HB2 ))
3.605 1.805 1.805
assi
(( resid 18 and name HN ))
(( resid 19 and name HG ))
3.650 1.850 1.850
assi
(( resid 18 and name HN ))
(( resid 18 and name HG ))
3.170 1.370 1.370
assi
(( resid 18 and name HN ))
( resid 18 and name HD1#)
5.000 5.000 0.000
assi
(( resid 18 and name HN ))
( resid 18 and name HD2#)
4.600 4.600 0.000
assi
(( resid 103 and name HN ))
(( resid 104 and name HN ))
2.765 0.965 0.965
assi
(( resid 103 and name HB2 ))
(( resid 104 and name HN ))
3.090 1.290 1.290
assi
(( resid 28 and name HN ))
(( resid 30 and name HN ))
2.780 0.980 0.980
assi
(( resid 28 and name HN ))
( resid 28 and name HD# )
2.970 1.170 1.170
assi
(( resid 28 and name HN ))
(( resid 28 and name HB2 ))
2.760 0.960 0.960
assi
(( resid 28 and name HN ))
(( resid 29 and name HN ))
2.830 1.030 1.030
assi
(( resid 27 and name HB2 ))
(( resid 28 and name HN ))
2.780 0.980 0.980
assi
(( resid 50 and name HN ))
( resid 50 and name HD# )
3.105 1.305 1.305
assi
(( resid 46 and name HA ))
(( resid 50 and name HN ))
3.275 1.475 1.475
assi
(( resid 107 and name HA ))
(( resid 110 and name HN ))
3.400 1.600 1.600
assi
(( resid 50 and name HN ))
(( resid 50 and name HB2 ))
2.830 1.030 1.030
assi
(( resid 50 and name HN ))
(( resid 50 and name HB1 ))
2.830 1.030 1.030
! assi
! (( resid 50 and name HN ))
! ( resid 66 and name HG2#)
! 6.000 6.000 0.000
! was wrong
assi
(( resid 42 and name HN ))
(( resid 43 and name HN ))
2.925 1.125 1.125
assi
(( resid 43 and name HN ))
( resid 43 and name HD# )
3.055 1.255 1.255
assi
(( resid 43 and name HN ))
(( resid 43 and name HB1 ))
2.830 1.030 1.030
assi
(( resid 43 and name HN ))
(( resid 43 and name HB2 ))
2.830 1.030 1.030
assi
(( resid 42 and name HB1 ))
(( resid 43 and name HN ))
3.120 1.320 1.320
assi
(( resid 42 and name HB2 ))
(( resid 43 and name HN ))
3.120 1.320 1.320
assi
(( resid 130 and name HN ))
(( resid 131 and name HN ))
3.435 1.635 1.635
assi
(( resid 131 and name HN ))
(( resid 132 and name HN ))
3.630 1.830 1.830
assi
(( resid 5 and name HA ))
(( resid 6 and name HN ))
2.430 0.630 0.630
assi
(( resid 89 and name HB2 ))
(( resid 90 and name HN ))
3.265 1.465 1.465
assi
(( resid 89 and name HB1 ))
(( resid 90 and name HN ))
3.265 1.465 1.465
assi
(( resid 109 and name HN ))
(( resid 110 and name HN ))
2.690 0.890 0.890
assi
(( resid 110 and name HN ))
(( resid 110 and name HB1 ))
2.880 1.080 1.080
assi
(( resid 86 and name HN ))
(( resid 86 and name HB1 ))
2.980 1.180 1.180
assi
(( resid 110 and name HN ))
(( resid 110 and name HB2 ))
2.880 1.080 1.080
assi
(( resid 74 and name HN ))
( resid 75 and name HB# )
3.145 1.345 1.345
assi
(( resid 44 and name HN ))
(( resid 45 and name HN ))
3.040 1.240 1.240
assi
(( resid 43 and name HN ))
(( resid 44 and name HN ))
2.995 1.195 1.195
assi
( resid 43 and name HD# )
(( resid 44 and name HN ))
3.095 1.295 1.295
assi
(( resid 41 and name HA ))
(( resid 44 and name HN ))
2.945 1.145 1.145
assi
(( resid 43 and name HB1 ))
(( resid 44 and name HN ))
3.110 1.310 1.310
assi
(( resid 43 and name HB2 ))
(( resid 44 and name HN ))
3.110 1.310 1.310
assi
(( resid 44 and name HN ))
( resid 46 and name HB# )
3.530 1.730 1.730
assi
(( resid 44 and name HN ))
( resid 107 and name HG2#)
3.650 1.850 1.850
assi
(( resid 62 and name HN ))
(( resid 63 and name HN ))
2.785 0.985 0.985
assi
(( resid 61 and name HN ))
(( resid 62 and name HN ))
2.695 0.895 0.895
assi
(( resid 59 and name HA ))
(( resid 62 and name HN ))
2.940 1.140 1.140
assi
(( resid 112 and name HN ))
(( resid 113 and name HB1 ))
3.465 1.665 1.665
assi
(( resid 62 and name HN ))
( resid 63 and name HB# )
3.125 1.325 1.325
assi
(( resid 89 and name HN ))
(( resid 90 and name HN ))
2.890 1.090 1.090
assi
(( resid 90 and name HN ))
(( resid 90 and name HG2 ))
3.010 1.210 1.210
assi
(( resid 90 and name HN ))
(( resid 90 and name HG1 ))
3.010 1.210 1.210
assi
(( resid 67 and name HN ))
(( resid 68 and name HN ))
3.035 1.235 1.235
assi
(( resid 66 and name HN ))
(( resid 67 and name HN ))
2.950 1.150 1.150
assi
(( resid 67 and name HN ))
( resid 67 and name HD# )
3.030 1.230 1.230
assi
(( resid 67 and name HN ))
(( resid 67 and name HB1 ))
2.745 0.945 0.945
assi
(( resid 67 and name HN ))
(( resid 67 and name HB2 ))
2.745 0.945 0.945
assi
(( resid 66 and name HB ))
(( resid 67 and name HN ))
2.810 1.010 1.010
assi
( resid 66 and name HG2#)
(( resid 67 and name HN ))
5.000 5.000 0.000
assi
(( resid 64 and name HA ))
(( resid 65 and name HN ))
2.665 0.865 0.865
assi
(( resid 65 and name HN ))
(( resid 65 and name HB2 ))
2.975 1.175 1.175
assi
(( resid 65 and name HN ))
(( resid 65 and name HB1 ))
2.975 1.175 1.175
assi
(( resid 106 and name HN ))
(( resid 106 and name HB2 ))
2.940 1.140 1.140
assi
(( resid 64 and name HD2 ))
(( resid 65 and name HN ))
3.650 1.850 1.850
assi
(( resid 64 and name HD1 ))
(( resid 65 and name HN ))
3.650 1.850 1.850
assi
(( resid 31 and name HN ))
(( resid 32 and name HN ))
2.875 1.075 1.075
assi
(( resid 54 and name HN ))
(( resid 55 and name HN ))
3.050 1.250 1.250
assi
(( resid 31 and name HN ))
( resid 31 and name HD# )
4.600 4.600 0.000
assi
(( resid 31 and name HN ))
(( resid 31 and name HB2 ))
2.870 1.070 1.070
assi
(( resid 31 and name HN ))
(( resid 31 and name HB1 ))
2.870 1.070 1.070
assi
(( resid 55 and name HN ))
(( resid 55 and name HB1 ))
2.830 1.030 1.030
assi
(( resid 55 and name HN ))
(( resid 55 and name HB2 ))
2.830 1.030 1.030
assi
(( resid 73 and name HA ))
(( resid 74 and name HN ))
2.675 0.875 0.875
assi
(( resid 106 and name HN ))
(( resid 107 and name HN ))
2.900 1.100 1.100
assi
(( resid 105 and name HB1 ))
(( resid 106 and name HN ))
2.925 1.125 1.125
assi
(( resid 105 and name HB2 ))
(( resid 106 and name HN ))
2.925 1.125 1.125
assi
(( resid 106 and name HN ))
(( resid 106 and name HB1 ))
2.940 1.140 1.140
assi
(( resid 104 and name HN ))
(( resid 105 and name HN ))
2.810 1.010 1.010
assi
(( resid 105 and name HN ))
(( resid 106 and name HN ))
2.765 0.965 0.965
assi
(( resid 88 and name HA ))
(( resid 89 and name HN ))
2.600 0.800 0.800
assi
(( resid 102 and name HA ))
(( resid 105 and name HN ))
2.885 1.085 1.085
assi
(( resid 105 and name HN ))
(( resid 105 and name HB2 ))
2.750 0.950 0.950
assi
(( resid 104 and name HB1 ))
(( resid 105 and name HN ))
3.305 1.505 1.505
assi
(( resid 104 and name HB2 ))
(( resid 105 and name HN ))
3.305 1.505 1.505
assi
(( resid 53 and name HN ))
(( resid 53 and name HG1 ))
2.795 0.995 0.995
assi
(( resid 53 and name HN ))
(( resid 53 and name HG2 ))
2.795 0.995 0.995
assi
(( resid 52 and name HB1 ))
(( resid 53 and name HN ))
2.900 1.100 1.100
assi
(( resid 52 and name HB2 ))
(( resid 53 and name HN ))
2.900 1.100 1.100
assi
(( resid 99 and name HN ))
(( resid 100 and name HN ))
2.865 1.065 1.065
assi
(( resid 102 and name HN ))
(( resid 103 and name HN ))
2.890 1.090 1.090
assi
(( resid 97 and name HG2 ))
(( resid 99 and name HN ))
2.830 1.030 1.030
or
(( resid 97 and name HG1 ))
(( resid 99 and name HN ))
assi
(( resid 103 and name HN ))
(( resid 103 and name HB1 ))
2.990 1.190 1.190
assi
(( resid 102 and name HB2 ))
(( resid 103 and name HN ))
2.755 0.955 0.955
assi
(( resid 102 and name HB1 ))
(( resid 103 and name HN ))
2.755 0.955 0.955
assi
(( resid 103 and name HN ))
(( resid 103 and name HG ))
3.425 1.625 1.625
assi
(( resid 103 and name HN ))
( resid 103 and name HD1#)
2.980 1.180 1.180
assi
(( resid 87 and name HN ))
(( resid 88 and name HN ))
3.310 1.510 1.510
assi
(( resid 87 and name HA ))
(( resid 88 and name HN ))
2.570 0.770 0.770
assi
(( resid 87 and name HB2 ))
(( resid 88 and name HN ))
3.015 1.215 1.215
assi
(( resid 87 and name HB1 ))
(( resid 88 and name HN ))
2.960 1.160 1.160
assi
(( resid 78 and name HN ))
(( resid 79 and name HN ))
3.115 1.315 1.315
assi
(( resid 77 and name HN ))
(( resid 78 and name HN ))
2.995 1.195 1.195
assi
(( resid 77 and name HA ))
(( resid 78 and name HN ))
2.650 0.850 0.850
assi
(( resid 103 and name HN ))
(( resid 103 and name HB2 ))
2.990 1.190 1.190
assi
(( resid 127 and name HN ))
(( resid 128 and name HA ))
3.335 1.535 1.535
assi
(( resid 32 and name HN ))
(( resid 33 and name HN ))
2.840 1.040 1.040
assi
( resid 31 and name HD# )
(( resid 32 and name HN ))
3.030 1.230 1.230
assi
(( resid 31 and name HB1 ))
(( resid 32 and name HN ))
3.160 1.360 1.360
assi
(( resid 31 and name HB2 ))
(( resid 32 and name HN ))
3.160 1.360 1.360
assi
(( resid 32 and name HN ))
(( resid 32 and name HG ))
3.375 1.575 1.575
assi
(( resid 32 and name HN ))
( resid 32 and name HD2#)
3.135 1.335 1.335
assi
(( resid 32 and name HN ))
( resid 32 and name HD1#)
3.135 1.335 1.335
assi
(( resid 10 and name HN ))
(( resid 12 and name HN ))
3.140 1.340 1.340
assi
( resid 9 and name HB# )
(( resid 10 and name HN ))
2.680 0.880 0.880
assi
(( resid 10 and name HN ))
(( resid 11 and name HN ))
2.760 0.960 0.960
assi
(( resid 9 and name HN ))
(( resid 11 and name HN ))
3.195 1.395 1.395
assi
(( resid 11 and name HN ))
(( resid 17 and name HD21))
3.360 1.560 1.560
assi
(( resid 11 and name HN ))
(( resid 11 and name HZ3 ))
5.000 5.000 0.000
assi
(( resid 11 and name HN ))
(( resid 11 and name HD1 ))
2.795 0.995 0.995
assi
(( resid 8 and name HA ))
(( resid 11 and name HN ))
2.855 1.055 1.055
assi
(( resid 127 and name HN ))
(( resid 127 and name HD2 ))
3.650 1.850 1.850
assi
(( resid 127 and name HN ))
(( resid 127 and name HD1 ))
3.650 1.850 1.850
assi
(( resid 24 and name HN ))
(( resid 26 and name HN ))
3.020 1.220 1.220
assi
(( resid 26 and name HN ))
(( resid 27 and name HN ))
3.170 1.370 1.370
assi
(( resid 48 and name HN ))
(( resid 49 and name HN ))
3.295 1.495 1.495
assi
(( resid 25 and name HB ))
(( resid 26 and name HN ))
2.660 0.860 0.860
assi
(( resid 26 and name HN ))
(( resid 26 and name HB1 ))
2.450 0.650 0.650
or
(( resid 26 and name HN ))
(( resid 26 and name HB2 ))
assi
(( resid 26 and name HN ))
(( resid 26 and name HG1 ))
3.230 1.430 1.430
assi
(( resid 26 and name HN ))
(( resid 26 and name HD2 ))
3.545 1.745 1.745
assi
(( resid 26 and name HN ))
(( resid 26 and name HD1 ))
3.545 1.745 1.745
assi
( resid 25 and name HG2#)
(( resid 26 and name HN ))
3.090 1.290 1.290
assi
( resid 25 and name HG1#)
(( resid 26 and name HN ))
3.090 1.290 1.290
assi
(( resid 15 and name HN ))
(( resid 16 and name HN ))
2.935 1.135 1.135
assi
(( resid 14 and name HN ))
(( resid 16 and name HN ))
3.365 1.565 1.565
assi
(( resid 14 and name HA ))
(( resid 16 and name HN ))
3.255 1.455 1.455
! assi
! (( resid 13 and name HA ))
! (( resid 16 and name HN ))
! 3.250 1.450 1.450
assi
(( resid 16 and name HN ))
(( resid 16 and name HG1 ))
3.205 1.405 1.405
assi
(( resid 16 and name HN ))
(( resid 16 and name HG2 ))
3.205 1.405 1.405
assi
(( resid 60 and name HB1 ))
(( resid 61 and name HN ))
2.615 0.815 0.815
assi
(( resid 60 and name HB2 ))
(( resid 61 and name HN ))
2.615 0.815 0.815
assi
(( resid 23 and name HN ))
(( resid 26 and name HN ))
3.230 1.430 1.430
assi
(( resid 30 and name HN ))
(( resid 31 and name HN ))
2.710 0.910 0.910
assi
(( resid 23 and name HA ))
(( resid 26 and name HN ))
2.925 1.125 1.125
assi
(( resid 30 and name HN ))
(( resid 30 and name HG1 ))
2.990 1.190 1.190
assi
(( resid 29 and name HB1 ))
(( resid 30 and name HN ))
2.495 0.695 0.695
assi
(( resid 26 and name HN ))
(( resid 26 and name HG2 ))
3.230 1.430 1.430
assi
(( resid 100 and name HN ))
(( resid 100 and name HB1 ))
2.970 1.170 1.170
assi
(( resid 100 and name HN ))
(( resid 100 and name HB2 ))
2.970 1.170 1.170
assi
(( resid 96 and name HN ))
(( resid 96 and name HD2 ))
3.145 1.345 1.345
assi
(( resid 95 and name HA ))
(( resid 96 and name HN ))
2.430 0.630 0.630
assi
(( resid 95 and name HB1 ))
(( resid 96 and name HN ))
2.755 0.955 0.955
assi
(( resid 95 and name HB2 ))
(( resid 96 and name HN ))
2.755 0.955 0.955
assi
(( resid 96 and name HN ))
( resid 99 and name HE# )
3.020 1.220 1.220
assi
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(( resid 118 and name HN ))
3.065 1.265 1.265
assi
(( resid 118 and name HN ))
(( resid 118 and name HB1 ))
2.820 1.020 1.020
assi
(( resid 118 and name HN ))
(( resid 118 and name HB2 ))
2.820 1.020 1.020
assi
(( resid 49 and name HN ))
(( resid 50 and name HN ))
2.730 0.930 0.930
assi
(( resid 47 and name HN ))
(( resid 49 and name HN ))
3.125 1.325 1.325
assi
(( resid 23 and name HA ))
(( resid 27 and name HN ))
3.330 1.530 1.530
assi
(( resid 46 and name HA ))
(( resid 49 and name HN ))
3.410 1.610 1.610
assi
(( resid 49 and name HN ))
(( resid 50 and name HB2 ))
3.650 1.850 1.850
assi
(( resid 49 and name HN ))
(( resid 50 and name HB1 ))
3.650 1.850 1.850
assi
(( resid 49 and name HN ))
(( resid 49 and name HB2 ))
2.885 1.085 1.085
assi
(( resid 49 and name HN ))
(( resid 49 and name HB1 ))
2.885 1.085 1.085
assi
(( resid 48 and name HB1 ))
(( resid 49 and name HN ))
3.025 1.225 1.225
assi
(( resid 48 and name HB2 ))
(( resid 49 and name HN ))
3.025 1.225 1.225
assi
(( resid 29 and name HB2 ))
(( resid 30 and name HN ))
2.495 0.695 0.695
assi
(( resid 76 and name HN ))
(( resid 77 and name HN ))
3.025 1.225 1.225
assi
(( resid 74 and name HN ))
(( resid 77 and name HN ))
3.150 1.350 1.350
assi
(( resid 76 and name HB1 ))
(( resid 77 and name HN ))
3.120 1.320 1.320
assi
(( resid 76 and name HB2 ))
(( resid 77 and name HN ))
3.120 1.320 1.320
assi
( resid 75 and name HB# )
(( resid 77 and name HN ))
2.835 1.035 1.035
assi
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(( resid 34 and name HN ))
2.800 1.000 1.000
assi
(( resid 33 and name HA ))
(( resid 34 and name HN ))
2.655 0.855 0.855
assi
(( resid 34 and name HN ))
(( resid 34 and name HG1 ))
2.870 1.070 1.070
assi
(( resid 34 and name HN ))
(( resid 34 and name HG2 ))
2.870 1.070 1.070
assi
(( resid 29 and name HN ))
(( resid 30 and name HN ))
2.780 0.980 0.980
assi
(( resid 28 and name HB1 ))
(( resid 29 and name HN ))
3.015 1.215 1.215
assi
(( resid 29 and name HN ))
(( resid 29 and name HB1 ))
2.815 1.015 1.015
assi
(( resid 29 and name HN ))
(( resid 29 and name HB2 ))
2.815 1.015 1.015
assi
(( resid 39 and name HN ))
(( resid 40 and name HN ))
3.045 1.245 1.245
assi
(( resid 40 and name HN ))
(( resid 42 and name HN ))
2.995 1.195 1.195
assi
(( resid 90 and name HN ))
(( resid 91 and name HN ))
2.670 0.870 0.870
assi
(( resid 91 and name HN ))
(( resid 92 and name HN ))
2.775 0.975 0.975
assi
(( resid 90 and name HA ))
(( resid 91 and name HN ))
2.675 0.875 0.875
assi
(( resid 91 and name HN ))
(( resid 91 and name HB ))
2.810 1.010 1.010
assi
(( resid 91 and name HN ))
( resid 91 and name HG2#)
2.710 0.910 0.910
assi
(( resid 124 and name HN ))
(( resid 125 and name HN ))
3.155 1.355 1.355
assi
(( resid 36 and name HN ))
( resid 36 and name HD# )
3.155 1.355 1.355
assi
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(( resid 36 and name HN ))
2.680 0.880 0.880
assi
(( resid 35 and name HA ))
(( resid 36 and name HN ))
3.800 3.800 0.000
assi
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(( resid 94 and name HN ))
3.040 1.240 1.240
assi
(( resid 34 and name HA ))
(( resid 36 and name HN ))
3.125 1.325 1.325
assi
(( resid 92 and name HA ))
(( resid 94 and name HN ))
3.405 1.605 1.605
assi
(( resid 101 and name HN ))
(( resid 102 and name HN ))
3.060 1.260 1.260
assi
(( resid 101 and name HB2 ))
(( resid 102 and name HN ))
3.265 1.465 1.465
assi
(( resid 101 and name HB1 ))
(( resid 102 and name HN ))
3.265 1.465 1.465
assi
(( resid 102 and name HN ))
(( resid 102 and name HG2 ))
3.365 1.565 1.565
assi
(( resid 102 and name HN ))
(( resid 102 and name HG1 ))
3.365 1.565 1.565
assi
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(( resid 25 and name HN ))
3.010 1.210 1.210
assi
(( resid 23 and name HN ))
(( resid 24 and name HN ))
2.615 0.815 0.815
assi
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(( resid 7 and name HN ))
2.670 0.870 0.870
assi
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(( resid 23 and name HN ))
2.695 0.895 0.895
or
(( resid 22 and name HB2 ))
(( resid 23 and name HN ))
assi
(( resid 23 and name HN ))
(( resid 26 and name HB1 ))
3.650 1.850 1.850
or
(( resid 23 and name HN ))
(( resid 26 and name HB2 ))
assi
(( resid 108 and name HN ))
(( resid 109 and name HN ))
2.925 1.125 1.125
assi
(( resid 107 and name HN ))
(( resid 109 and name HN ))
3.275 1.475 1.475
assi
( resid 108 and name HD# )
(( resid 109 and name HN ))
2.955 1.155 1.155
assi
(( resid 109 and name HN ))
(( resid 109 and name HB2 ))
2.910 1.110 1.110
assi
(( resid 109 and name HN ))
(( resid 109 and name HB1 ))
2.910 1.110 1.110
assi
(( resid 114 and name HN ))
(( resid 116 and name HN ))
3.105 1.305 1.305
assi
(( resid 114 and name HN ))
(( resid 115 and name HN ))
2.850 1.050 1.050
assi
( resid 113 and name HD# )
(( resid 114 and name HN ))
2.925 1.125 1.125
assi
(( resid 40 and name HN ))
(( resid 41 and name HN ))
2.615 0.815 0.815
assi
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(( resid 114 and name HN ))
3.075 1.275 1.275
assi
(( resid 113 and name HB1 ))
(( resid 114 and name HN ))
2.560 0.760 0.760
assi
(( resid 90 and name HA ))
(( resid 92 and name HN ))
3.395 1.595 1.595
assi
(( resid 91 and name HB ))
(( resid 92 and name HN ))
3.080 1.280 1.280
assi
( resid 91 and name HG2#)
(( resid 92 and name HN ))
3.020 1.220 1.220
assi
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(( resid 125 and name HZ ))
3.650 1.850 1.850
assi
(( resid 120 and name HN ))
(( resid 121 and name HN ))
2.940 1.140 1.140
assi
( resid 119 and name HD# )
(( resid 120 and name HN ))
3.170 1.370 1.370
assi
(( resid 120 and name HN ))
( resid 120 and name HD2#)
3.110 1.310 1.310
assi
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(( resid 68 and name HN ))
3.105 1.305 1.305
assi
(( resid 67 and name HB1 ))
(( resid 68 and name HN ))
3.135 1.335 1.335
assi
(( resid 67 and name HB2 ))
(( resid 68 and name HN ))
3.135 1.335 1.335
assi
(( resid 68 and name HN ))
(( resid 68 and name HG2 ))
3.490 1.690 1.690
assi
(( resid 68 and name HN ))
(( resid 68 and name HG1 ))
3.490 1.690 1.690
assi
(( resid 68 and name HN ))
(( resid 68 and name HB1 ))
2.930 1.130 1.130
assi
(( resid 68 and name HN ))
(( resid 68 and name HB2 ))
2.930 1.130 1.130
assi
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(( resid 45 and name HN ))
3.340 1.540 1.540
assi
(( resid 41 and name HA ))
(( resid 45 and name HN ))
3.400 1.600 1.600
assi
(( resid 42 and name HA ))
(( resid 45 and name HN ))
3.490 1.690 1.690
assi
(( resid 45 and name HN ))
(( resid 45 and name HB1 ))
2.990 1.190 1.190
assi
(( resid 45 and name HN ))
(( resid 45 and name HB2 ))
2.990 1.190 1.190
assi
(( resid 111 and name HN ))
(( resid 112 and name HN ))
2.915 1.115 1.115
assi
(( resid 110 and name HB1 ))
(( resid 111 and name HN ))
3.090 1.290 1.290
assi
(( resid 110 and name HB2 ))
(( resid 111 and name HN ))
3.090 1.290 1.290
assi
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(( resid 64 and name HN ))
2.755 0.955 0.955
assi
(( resid 64 and name HN ))
(( resid 65 and name HN ))
2.755 0.955 0.955
assi
(( resid 64 and name HN ))
(( resid 65 and name HB2 ))
3.650 1.850 1.850
assi
(( resid 64 and name HN ))
(( resid 65 and name HB1 ))
3.650 1.850 1.850
assi
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(( resid 64 and name HN ))
2.575 0.775 0.775
assi
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(( resid 47 and name HN ))
2.745 0.945 0.945
assi
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(( resid 41 and name HB ))
2.815 1.015 1.015
assi
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(( resid 53 and name HN ))
2.525 0.725 0.725
assi
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(( resid 52 and name HN ))
3.395 1.595 1.595
assi
(( resid 52 and name HN ))
(( resid 52 and name HB1 ))
2.720 0.920 0.920
assi
(( resid 52 and name HN ))
(( resid 52 and name HB2 ))
2.720 0.920 0.920
assi
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(( resid 17 and name HN ))
2.830 1.030 1.030
assi
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(( resid 17 and name HD21))
2.785 0.985 0.985
assi
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(( resid 17 and name HD22))
3.090 1.290 1.290
assi
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(( resid 64 and name HN ))
3.130 1.330 1.330
assi
(( resid 17 and name HN ))
(( resid 17 and name HB1 ))
2.625 0.825 0.825
assi
(( resid 17 and name HN ))
(( resid 17 and name HB2 ))
2.755 0.955 0.955
assi
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(( resid 57 and name HN ))
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assi
(( resid 57 and name HN ))
(( resid 59 and name HN ))
3.170 1.370 1.370
assi
(( resid 57 and name HN ))
(( resid 57 and name HB ))
2.510 0.710 0.710
assi
(( resid 57 and name HN ))
( resid 57 and name HG2#)
2.800 1.000 1.000
assi
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(( resid 12 and name HN ))
2.820 1.020 1.020
assi
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(( resid 12 and name HN ))
2.880 1.080 1.080
assi
(( resid 12 and name HN ))
( resid 12 and name HB# )
2.495 0.695 0.695
assi
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(( resid 71 and name HN ))
3.120 1.320 1.320
assi
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(( resid 20 and name HN ))
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assi
(( resid 20 and name HN ))
(( resid 20 and name HG2 ))
3.650 1.850 1.850
assi
(( resid 20 and name HN ))
(( resid 20 and name HG1 ))
3.650 1.850 1.850
assi
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(( resid 20 and name HN ))
2.905 1.105 1.105
assi
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(( resid 20 and name HN ))
3.080 1.280 1.280
assi
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(( resid 93 and name HN ))
3.085 1.285 1.285
assi
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(( resid 93 and name HN ))
3.085 1.285 1.285
assi
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(( resid 69 and name HN ))
2.900 1.100 1.100
assi
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(( resid 70 and name HN ))
2.850 1.050 1.050
assi
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(( resid 69 and name HB ))
2.720 0.920 0.920
assi
(( resid 68 and name HB1 ))
(( resid 69 and name HN ))
3.055 1.255 1.255
assi
(( resid 68 and name HB2 ))
(( resid 69 and name HN ))
3.055 1.255 1.255
assi
(( resid 69 and name HN ))
( resid 69 and name HG2#)
3.030 1.230 1.230
assi
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(( resid 72 and name HN ))
2.635 0.835 0.835
assi
(( resid 68 and name HA ))
(( resid 72 and name HN ))
3.000 1.200 1.200
assi
(( resid 72 and name HN ))
(( resid 72 and name HB1 ))
2.735 0.935 0.935
assi
(( resid 72 and name HN ))
(( resid 72 and name HB2 ))
2.735 0.935 0.935
assi
(( resid 71 and name HB1 ))
(( resid 72 and name HN ))
3.060 1.260 1.260
assi
(( resid 72 and name HN ))
( resid 75 and name HB# )
2.900 1.100 1.100
assi
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(( resid 51 and name HN ))
2.915 1.115 1.115
assi
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(( resid 51 and name HN ))
3.320 1.520 1.520
assi
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(( resid 51 and name HN ))
2.975 1.175 1.175
assi
(( resid 51 and name HN ))
(( resid 52 and name HN ))
2.865 1.065 1.065
assi
(( resid 51 and name HN ))
(( resid 51 and name HB2 ))
2.990 1.190 1.190
assi
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(( resid 51 and name HB1 ))
2.990 1.190 1.190
assi
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(( resid 121 and name HN ))
3.150 1.350 1.350
assi
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(( resid 121 and name HB1 ))
2.845 1.045 1.045
assi
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(( resid 121 and name HB2 ))
2.845 1.045 1.045
assi
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(( resid 121 and name HN ))
3.180 1.380 1.380
assi
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(( resid 121 and name HN ))
3.180 1.380 1.380
assi
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(( resid 71 and name HN ))
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assi
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(( resid 70 and name HN ))
3.025 1.225 1.225
assi
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(( resid 8 and name HN ))
3.145 1.345 1.345
assi
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(( resid 99 and name HN ))
2.805 1.005 1.005
assi
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(( resid 35 and name HN ))
2.710 0.910 0.910
assi
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(( resid 35 and name HN ))
2.850 1.050 1.050
assi
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(( resid 35 and name HN ))
2.850 1.050 1.050
assi
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assi
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(( resid 19 and name HN ))
3.110 1.310 1.310
assi
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(( resid 19 and name HB2 ))
2.650 0.850 0.850
assi
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(( resid 19 and name HN ))
3.125 1.325 1.325
assi
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( resid 19 and name HD2#)
3.425 1.625 1.625
assi
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(( resid 19 and name HN ))
3.125 1.325 1.325
assi
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( resid 19 and name HD1#)
3.425 1.625 1.625
assi
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3.120 1.320 1.320
assi
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(( resid 78 and name HE21))
3.120 1.320 1.320
assi
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2.890 1.090 1.090
assi
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(( resid 37 and name HB1 ))
2.980 1.180 1.180
assi
(( resid 37 and name HN ))
(( resid 37 and name HB2 ))
2.980 1.180 1.180
assi
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(( resid 37 and name HN ))
3.100 1.300 1.300
assi
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(( resid 37 and name HN ))
3.100 1.300 1.300
assi
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(( resid 60 and name HE22))
3.165 1.365 1.365
assi
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(( resid 60 and name HE21))
3.165 1.365 1.365
assi
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(( resid 113 and name HN ))
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assi
(( resid 113 and name HN ))
(( resid 114 and name HN ))
2.730 0.930 0.930
assi
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(( resid 113 and name HB1 ))
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assi
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3.015 1.215 1.215
assi
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(( resid 113 and name HN ))
3.015 1.215 1.215
assi
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3.175 1.375 1.375
assi
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3.180 1.380 1.380
assi
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(( resid 17 and name HD21))
3.020 1.220 1.220
assi
( resid 13 and name HB# )
(( resid 17 and name HD21))
2.765 0.965 0.965
assi
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3.175 1.375 1.375
assi
( resid 13 and name HB# )
(( resid 17 and name HD22))
2.810 1.010 1.010
assi
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(( resid 118 and name HN ))
2.800 1.000 1.000
assi
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(( resid 117 and name HN ))
3.135 1.335 1.335
assi
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(( resid 117 and name HN ))
3.135 1.335 1.335
assi
(( resid 81 and name HA ))
(( resid 106 and name HE22))
3.650 1.850 1.850
assi
(( resid 106 and name HA ))
(( resid 106 and name HE22))
3.650 1.850 1.850
assi
(( resid 13 and name HN ))
(( resid 14 and name HN ))
2.625 0.825 0.825
assi
(( resid 14 and name HN ))
(( resid 18 and name HN ))
3.090 1.290 1.290
assi
(( resid 14 and name HN ))
(( resid 17 and name HB2 ))
3.060 1.260 1.260
assi
( resid 13 and name HB# )
(( resid 14 and name HN ))
2.590 0.790 0.790
assi
( resid 12 and name HB# )
(( resid 14 and name HN ))
5.200 5.200 0.000
!
! too tight
!
assi
(( resid 110 and name HN ))
(( resid 110 and name HG ))
3.130 1.330 1.330
assi
(( resid 86 and name HN ))
(( resid 86 and name HG2 ))
3.460 1.660 1.660
assi
(( resid 86 and name HN ))
(( resid 86 and name HG1 ))
3.460 1.660 1.660
assi
(( resid 107 and name HN ))
(( resid 108 and name HN ))
2.870 1.070 1.070
assi
(( resid 20 and name HN ))
(( resid 25 and name HN ))
3.580 1.780 1.780
assi
(( resid 18 and name HA ))
(( resid 25 and name HN ))
3.365 1.565 1.565
assi
(( resid 104 and name HA ))
(( resid 107 and name HN ))
3.495 1.695 1.695
assi
(( resid 25 and name HN ))
(( resid 26 and name HB1 ))
3.340 1.540 1.540
or
(( resid 25 and name HN ))
(( resid 26 and name HB2 ))
assi
(( resid 107 and name HN ))
( resid 107 and name HG2#)
3.050 1.250 1.250
assi
(( resid 25 and name HN ))
( resid 25 and name HG1#)
2.995 1.195 1.195
assi
(( resid 107 and name HN ))
( resid 107 and name HD1#)
3.145 1.345 1.345
assi
(( resid 99 and name HN ))
(( resid 101 and name HN ))
2.970 1.170 1.170
assi
(( resid 103 and name HN ))
( resid 103 and name HD2#)
2.980 1.180 1.180
assi
(( resid 80 and name HN ))
(( resid 81 and name HN ))
3.140 1.340 1.340
assi
(( resid 79 and name HN ))
(( resid 81 and name HN ))
3.460 1.660 1.660
assi
(( resid 60 and name HN ))
(( resid 62 and name HN ))
2.995 1.195 1.195
assi
(( resid 59 and name HA ))
(( resid 60 and name HN ))
2.540 0.740 0.740
assi
(( resid 60 and name HN ))
(( resid 60 and name HG2 ))
2.920 1.120 1.120
assi
(( resid 58 and name HB1 ))
(( resid 59 and name HN ))
2.555 0.755 0.755
assi
(( resid 58 and name HB2 ))
(( resid 59 and name HN ))
2.555 0.755 0.755
assi
(( resid 60 and name HN ))
( resid 63 and name HB# )
3.435 1.635 1.635
assi
(( resid 60 and name HN ))
(( resid 61 and name HN ))
2.750 0.950 0.950
assi
(( resid 112 and name HN ))
(( resid 112 and name HB1 ))
2.825 1.025 1.025
assi
(( resid 112 and name HN ))
(( resid 112 and name HB2 ))
2.825 1.025 1.025
assi
(( resid 105 and name HN ))
(( resid 105 and name HB1 ))
2.750 0.950 0.950
assi
(( resid 86 and name HN ))
(( resid 86 and name HB2 ))
2.980 1.180 1.180
assi
(( resid 104 and name HN ))
(( resid 104 and name HB2 ))
2.820 1.020 1.020
assi
(( resid 79 and name HN ))
(( resid 80 and name HN ))
3.335 1.535 1.535
assi
(( resid 79 and name HN ))
( resid 79 and name HG1#)
3.050 1.250 1.250
assi
(( resid 79 and name HN ))
( resid 79 and name HG2#)
3.050 1.250 1.250
assi
( resid 67 and name HE# )
(( resid 72 and name HN ))
3.245 1.445 1.445
assi
(( resid 70 and name HN ))
(( resid 72 and name HN ))
3.270 1.470 1.470
assi
(( resid 103 and name HN ))
(( resid 105 and name HN ))
3.305 1.505 1.505
assi
( resid 81 and name HG1#)
(( resid 106 and name HE22))
3.650 1.850 1.850
assi
( resid 81 and name HG2#)
(( resid 106 and name HE22))
3.650 1.850 1.850
assi
( resid 81 and name HG1#)
(( resid 106 and name HE21))
3.650 1.850 1.850
assi
( resid 81 and name HG2#)
(( resid 106 and name HE21))
3.650 1.850 1.850
assi
(( resid 81 and name HA ))
(( resid 106 and name HE21))
3.650 1.850 1.850
assi
(( resid 106 and name HA ))
(( resid 106 and name HE21))
3.650 1.850 1.850
assi
(( resid 3 and name HA ))
(( resid 3 and name HG2 ))
2.765 0.965 0.965
or
(( resid 3 and name HA ))
(( resid 3 and name HG1 ))
assi
(( resid 3 and name HA ))
(( resid 27 and name HD2 ))
2.930 1.130 1.130
or
(( resid 3 and name HA ))
(( resid 27 and name HD1 ))
assi
(( resid 3 and name HB1 ))
(( resid 4 and name HN ))
2.820 1.020 1.020
or
(( resid 3 and name HB2 ))
(( resid 4 and name HN ))
assi
(( resid 3 and name HG2 ))
(( resid 3 and name HE22))
2.485 0.685 0.685
or
(( resid 3 and name HG2 ))
(( resid 3 and name HE21))
or
(( resid 3 and name HG1 ))
(( resid 3 and name HE22))
or
(( resid 3 and name HG1 ))
(( resid 3 and name HE21))
assi
(( resid 4 and name HA ))
(( resid 27 and name HD2 ))
3.430 1.630 1.630
or
(( resid 4 and name HA ))
(( resid 27 and name HD1 ))
assi
(( resid 5 and name HA ))
( resid 5 and name HD1#)
4.000 4.000 0.00
or
(( resid 5 and name HA ))
( resid 5 and name HD2#)
assi
(( resid 5 and name HB1 ))
(( resid 6 and name HN ))
3.120 1.320 1.320
or
(( resid 5 and name HB2 ))
(( resid 6 and name HN ))
assi
(( resid 5 and name HB1 ))
(( resid 6 and name HA ))
2.930 1.130 1.130
or
(( resid 5 and name HB2 ))
(( resid 6 and name HA ))
! assi
! (( resid 5 and name HB1 ))
! (( resid 27 and name HG2 ))
! 3.040 1.240 1.240
! or
! (( resid 5 and name HB1 ))
! (( resid 27 and name HG1 ))
! or
! (( resid 5 and name HB2 ))
! (( resid 27 and name HG2 ))
! or
! (( resid 5 and name HB2 ))
! (( resid 27 and name HG1 ))
! assi
! (( resid 5 and name HG ))
! (( resid 27 and name HG2 ))
! 3.215 1.415 1.415
! or
! (( resid 5 and name HG ))
! (( resid 27 and name HG1 ))
assi
( resid 5 and name HD1#)
(( resid 6 and name HA ))
3.165 1.365 1.365
or
( resid 5 and name HD2#)
(( resid 6 and name HA ))
assi
( resid 5 and name HD1#)
(( resid 6 and name HB1 ))
3.010 1.210 1.210
or
( resid 5 and name HD2#)
(( resid 6 and name HB1 ))
or
( resid 5 and name HD1#)
(( resid 6 and name HB2 ))
or
( resid 5 and name HD2#)
(( resid 6 and name HB2 ))
! assi
! ( resid 5 and name HD1#)
! (( resid 27 and name HN ))
! 3.620 1.820 1.820
! or
! ( resid 5 and name HD2#)
! (( resid 27 and name HN ))
! assi
! ( resid 5 and name HD1#)
! (( resid 27 and name HG2 ))
! 2.720 0.920 0.920
! or
! ( resid 5 and name HD1#)
! (( resid 27 and name HG1 ))
! or
! ( resid 5 and name HD2#)
! (( resid 27 and name HG2 ))
! or
! ( resid 5 and name HD2#)
! (( resid 27 and name HG1 ))
! assi
! ( resid 5 and name HD1#)
! (( resid 27 and name HG1 ))
! 3.900 2.100 2.100
! assi
! ( resid 5 and name HD2#)
! (( resid 27 and name HG2 ))
! 3.900 2.100 2.100
assi
(( resid 6 and name HN ))
(( resid 6 and name HD1 ))
3.510 1.710 1.710
or
(( resid 6 and name HN ))
(( resid 6 and name HD2 ))
assi
(( resid 6 and name HA ))
(( resid 6 and name HG2 ))
2.550 0.750 0.750
or
(( resid 6 and name HA ))
(( resid 6 and name HG1 ))
assi
(( resid 6 and name HA ))
(( resid 10 and name HG2 ))
4.500 4.500 0.000
or
(( resid 6 and name HA ))
(( resid 10 and name HG1 ))
assi
(( resid 6 and name HB1 ))
(( resid 6 and name HD1 ))
2.565 0.765 0.765
or
(( resid 6 and name HB2 ))
(( resid 6 and name HD1 ))
or
(( resid 6 and name HB1 ))
(( resid 6 and name HD2 ))
or
(( resid 6 and name HB2 ))
(( resid 6 and name HD2 ))
assi
(( resid 10 and name HN ))
(( resid 10 and name HB2 ))
2.700 0.900 0.900
or
(( resid 10 and name HN ))
(( resid 10 and name HB1 ))
assi
(( resid 10 and name HB2 ))
(( resid 11 and name HN ))
2.770 0.970 0.970
or
(( resid 10 and name HB1 ))
(( resid 11 and name HN ))
assi
(( resid 10 and name HB2 ))
(( resid 11 and name HD1 ))
2.985 1.185 1.185
or
(( resid 10 and name HB1 ))
(( resid 11 and name HD1 ))
assi
(( resid 10 and name HB2 ))
(( resid 11 and name HE3 ))
3.185 1.385 1.385
or
(( resid 10 and name HB1 ))
(( resid 11 and name HE3 ))
assi
(( resid 23 and name HA ))
(( resid 11 and name HZ2 ))
5.000 5.000 0.000
! reassigned in cNOESY-ar
assi
(( resid 11 and name HZ2 ))
(( resid 23 and name HB1 ))
2.795 0.995 0.995
or
(( resid 11 and name HZ2 ))
(( resid 23 and name HB2 ))
assi
(( resid 11 and name HZ2 ))
(( resid 23 and name HG2 ))
3.050 1.250 1.250
or
(( resid 11 and name HZ2 ))
(( resid 23 and name HG1 ))
assi
( resid 12 and name HB# )
( resid 120 and name HD1#)
2.585 0.785 0.785
or
( resid 12 and name HB# )
( resid 120 and name HD2#)
assi
(( resid 14 and name HB1 ))
(( resid 15 and name HN ))
2.740 0.940 0.940
or
(( resid 14 and name HB2 ))
(( resid 15 and name HN ))
assi
(( resid 15 and name HN ))
(( resid 15 and name HB1 ))
2.675 0.875 0.875
or
(( resid 15 and name HN ))
(( resid 15 and name HB2 ))
assi
(( resid 15 and name HN ))
( resid 15 and name HD1#)
3.170 1.370 1.370
or
(( resid 15 and name HN ))
( resid 15 and name HD2#)
assi
(( resid 15 and name HA ))
( resid 15 and name HD1#)
2.805 1.005 1.005
or
(( resid 15 and name HA ))
( resid 15 and name HD2#)
assi
(( resid 15 and name HA ))
( resid 18 and name HD1#)
3.110 1.310 1.310
or
(( resid 15 and name HA ))
( resid 18 and name HD2#)
assi
(( resid 15 and name HB1 ))
(( resid 16 and name HN ))
2.985 1.185 1.185
or
(( resid 15 and name HB2 ))
(( resid 16 and name HN ))
assi
(( resid 15 and name HG ))
( resid 19 and name HD1#)
5.000 5.000 0.000
or
(( resid 15 and name HG ))
( resid 19 and name HD2#)
assi
( resid 15 and name HD1#)
( resid 19 and name HD1#)
2.950 1.150 1.150
or
( resid 15 and name HD2#)
( resid 19 and name HD1#)
or
( resid 15 and name HD1#)
( resid 19 and name HD2#)
or
( resid 15 and name HD2#)
( resid 19 and name HD2#)
assi
( resid 15 and name HD1#)
( resid 111 and name HE# )
4.500 4.500 0.000
or
( resid 15 and name HD2#)
( resid 111 and name HE# )
assi
( resid 15 and name HD1#)
( resid 116 and name HD# )
3.100 1.300 1.300
or
( resid 15 and name HD2#)
( resid 116 and name HD# )
assi
( resid 15 and name HD1#)
( resid 116 and name HE# )
2.810 1.010 1.010
or
( resid 15 and name HD2#)
( resid 116 and name HE# )
assi
(( resid 16 and name HN ))
(( resid 16 and name HB1 ))
2.660 0.860 0.860
or
(( resid 16 and name HN ))
(( resid 16 and name HB2 ))
assi
(( resid 16 and name HN ))
(( resid 16 and name HG2 ))
2.910 1.110 1.110
or
(( resid 16 and name HN ))
(( resid 16 and name HG1 ))
assi
(( resid 16 and name HB1 ))
(( resid 17 and name HN ))
2.720 0.920 0.920
or
(( resid 16 and name HB2 ))
(( resid 17 and name HN ))
assi
(( resid 16 and name HG2 ))
(( resid 17 and name HN ))
3.090 1.290 1.290
or
(( resid 16 and name HG1 ))
(( resid 17 and name HN ))
assi
(( resid 18 and name HN ))
( resid 18 and name HD1#)
4.600 4.600 0.00
or
(( resid 18 and name HN ))
( resid 18 and name HD2#)
assi
(( resid 18 and name HA ))
( resid 18 and name HD1#)
2.810 1.010 1.010
or
(( resid 18 and name HA ))
( resid 18 and name HD2#)
assi
(( resid 18 and name HA ))
( resid 25 and name HG1#)
3.145 1.345 1.345
or
(( resid 18 and name HA ))
( resid 25 and name HG2#)
assi
(( resid 18 and name HB2 ))
(( resid 19 and name HN ))
2.840 1.040 1.040
or
(( resid 18 and name HB1 ))
(( resid 19 and name HN ))
assi
(( resid 18 and name HB2 ))
( resid 19 and name HD1#)
3.440 1.640 1.640
or
(( resid 18 and name HB1 ))
( resid 19 and name HD1#)
or
(( resid 18 and name HB2 ))
( resid 19 and name HD2#)
or
(( resid 18 and name HB1 ))
( resid 19 and name HD2#)
assi
(( resid 18 and name HB2 ))
(( resid 24 and name HA2 ))
3.225 1.425 1.425
or
(( resid 18 and name HB1 ))
(( resid 24 and name HA2 ))
or
(( resid 18 and name HB2 ))
(( resid 24 and name HA1 ))
or
(( resid 18 and name HB1 ))
(( resid 24 and name HA1 ))
assi
( resid 18 and name HD1#)
(( resid 19 and name HN ))
2.840 1.040 1.040
or
( resid 18 and name HD2#)
(( resid 19 and name HN ))
assi
( resid 18 and name HD1#)
(( resid 19 and name HA ))
3.040 1.240 1.240
or
( resid 18 and name HD2#)
(( resid 19 and name HA ))
assi
( resid 18 and name HD1#)
( resid 19 and name HD1#)
2.920 1.120 1.120
or
( resid 18 and name HD2#)
( resid 19 and name HD1#)
or
( resid 18 and name HD1#)
( resid 19 and name HD2#)
or
( resid 18 and name HD2#)
( resid 19 and name HD2#)
assi
( resid 18 and name HD1#)
(( resid 24 and name HA2 ))
2.910 1.110 1.110
or
( resid 18 and name HD2#)
(( resid 24 and name HA2 ))
or
( resid 18 and name HD1#)
(( resid 24 and name HA1 ))
or
( resid 18 and name HD2#)
(( resid 24 and name HA1 ))
assi
( resid 18 and name HD1#)
(( resid 25 and name HA ))
3.015 1.215 1.215
or
( resid 18 and name HD2#)
(( resid 25 and name HA ))
assi
( resid 18 and name HD1#)
( resid 25 and name HG1#)
2.405 0.605 0.605
or
( resid 18 and name HD2#)
( resid 25 and name HG1#)
or
( resid 18 and name HD1#)
( resid 25 and name HG2#)
or
( resid 18 and name HD2#)
( resid 25 and name HG2#)
assi
( resid 18 and name HD1#)
(( resid 28 and name HB2 ))
3.080 1.280 1.280
or
( resid 18 and name HD2#)
(( resid 28 and name HB2 ))
assi
( resid 18 and name HD1#)
(( resid 28 and name HB1 ))
3.090 1.290 1.290
or
( resid 18 and name HD2#)
(( resid 28 and name HB1 ))
assi
( resid 18 and name HD1#)
( resid 28 and name HE# )
2.675 0.875 0.875
or
( resid 18 and name HD2#)
( resid 28 and name HE# )
assi
( resid 18 and name HD1#)
(( resid 28 and name HZ ))
3.025 1.225 1.225
or
( resid 18 and name HD2#)
(( resid 28 and name HZ ))
! assi
! ( resid 18 and name HD1#)
! (( resid 44 and name HH2 ))
! 3.245 1.445 1.445
! or
! ( resid 18 and name HD2#)
! (( resid 44 and name HH2 ))
assi
( resid 18 and name HD1#)
( resid 116 and name HE# )
2.770 0.970 0.970
or
( resid 18 and name HD2#)
( resid 116 and name HE# )
assi
(( resid 19 and name HN ))
( resid 19 and name HD1#)
2.875 1.075 1.075
or
(( resid 19 and name HN ))
( resid 19 and name HD2#)
assi
(( resid 19 and name HN ))
( resid 25 and name HG1#)
3.315 1.515 1.515
or
(( resid 19 and name HN ))
( resid 25 and name HG2#)
assi
(( resid 19 and name HA ))
( resid 19 and name HD1#)
2.810 1.010 1.010
or
(( resid 19 and name HA ))
( resid 19 and name HD2#)
assi
(( resid 19 and name HA ))
( resid 25 and name HG1#)
2.660 0.860 0.860
or
(( resid 19 and name HA ))
( resid 25 and name HG2#)
assi
(( resid 19 and name HG ))
( resid 25 and name HG1#)
3.440 1.640 1.640
or
(( resid 19 and name HG ))
( resid 25 and name HG2#)
assi
( resid 19 and name HD1#)
( resid 25 and name HG1#)
2.790 0.990 0.990
or
( resid 19 and name HD2#)
( resid 25 and name HG1#)
or
( resid 19 and name HD1#)
( resid 25 and name HG2#)
or
( resid 19 and name HD2#)
( resid 25 and name HG2#)
assi
( resid 19 and name HD1#)
(( resid 44 and name HZ3 ))
3.035 1.235 1.235
or
( resid 19 and name HD2#)
(( resid 44 and name HZ3 ))
assi
( resid 19 and name HD1#)
(( resid 44 and name HH2 ))
2.905 1.105 1.105
or
( resid 19 and name HD2#)
(( resid 44 and name HH2 ))
assi
( resid 19 and name HD1#)
( resid 108 and name HD# )
3.180 1.380 1.380
or
( resid 19 and name HD2#)
( resid 108 and name HD# )
assi
( resid 19 and name HD1#)
( resid 111 and name HE# )
2.750 0.950 0.950
or
( resid 19 and name HD2#)
( resid 111 and name HE# )
assi
(( resid 20 and name HN ))
(( resid 20 and name HB1 ))
2.465 0.665 0.665
or
(( resid 20 and name HN ))
(( resid 20 and name HB2 ))
assi
(( resid 20 and name HN ))
(( resid 20 and name HG2 ))
3.260 1.460 1.460
or
(( resid 20 and name HN ))
(( resid 20 and name HG1 ))
assi
(( resid 20 and name HN ))
( resid 25 and name HG1#)
3.220 1.420 1.420
or
(( resid 20 and name HN ))
( resid 25 and name HG2#)
assi
(( resid 20 and name HA ))
(( resid 20 and name HG2 ))
2.705 0.905 0.905
or
(( resid 20 and name HA ))
(( resid 20 and name HG1 ))
assi
(( resid 20 and name HB1 ))
(( resid 21 and name HN ))
2.830 1.030 1.030
or
(( resid 20 and name HB2 ))
(( resid 21 and name HN ))
assi
(( resid 20 and name HG2 ))
(( resid 21 and name HN ))
2.995 1.195 1.195
or
(( resid 20 and name HG1 ))
(( resid 21 and name HN ))
assi
(( resid 21 and name HN ))
(( resid 21 and name HB1 ))
2.545 0.745 0.745
or
(( resid 21 and name HN ))
(( resid 21 and name HB2 ))
assi
(( resid 22 and name HA ))
( resid 25 and name HG1#)
3.305 1.505 1.505
or
(( resid 22 and name HA ))
( resid 25 and name HG2#)
assi
(( resid 22 and name HA ))
(( resid 26 and name HE2 ))
3.095 1.295 1.295
or
(( resid 22 and name HA ))
(( resid 26 and name HE1 ))
assi
(( resid 22 and name HB1 ))
(( resid 26 and name HE2 ))
3.170 1.370 1.370
or
(( resid 22 and name HB2 ))
(( resid 26 and name HE2 ))
or
(( resid 22 and name HB1 ))
(( resid 26 and name HE1 ))
or
(( resid 22 and name HB2 ))
(( resid 26 and name HE1 ))
assi
(( resid 23 and name HN ))
(( resid 23 and name HB1 ))
2.495 0.695 0.695
or
(( resid 23 and name HN ))
(( resid 23 and name HB2 ))
assi
(( resid 23 and name HN ))
(( resid 24 and name HA2 ))
3.495 1.695 1.695
or
(( resid 23 and name HN ))
(( resid 24 and name HA1 ))
assi
(( resid 24 and name HN ))
( resid 25 and name HG1#)
3.160 1.360 1.360
or
(( resid 24 and name HN ))
( resid 25 and name HG2#)
assi
(( resid 25 and name HN ))
( resid 25 and name HG1#)
2.485 0.685 0.685
or
(( resid 25 and name HN ))
( resid 25 and name HG2#)
assi
(( resid 25 and name HN ))
(( resid 26 and name HE2 ))
3.310 1.510 1.510
or
(( resid 25 and name HN ))
(( resid 26 and name HE1 ))
assi
(( resid 25 and name HA ))
(( resid 26 and name HE2 ))
3.300 1.500 1.500
or
(( resid 25 and name HA ))
(( resid 26 and name HE1 ))
assi
(( resid 25 and name HB ))
(( resid 26 and name HE2 ))
2.740 0.940 0.940
or
(( resid 25 and name HB ))
(( resid 26 and name HE1 ))
assi
( resid 25 and name HG1#)
(( resid 26 and name HN ))
2.740 0.940 0.940
or
( resid 25 and name HG2#)
(( resid 26 and name HN ))
assi
( resid 25 and name HG1#)
(( resid 26 and name HD2 ))
3.030 1.230 1.230
or
( resid 25 and name HG2#)
(( resid 26 and name HD2 ))
or
( resid 25 and name HG1#)
(( resid 26 and name HD1 ))
or
( resid 25 and name HG2#)
(( resid 26 and name HD1 ))
assi
( resid 25 and name HG1#)
(( resid 26 and name HE2 ))
2.780 0.980 0.980
or
( resid 25 and name HG2#)
(( resid 26 and name HE2 ))
or
( resid 25 and name HG1#)
(( resid 26 and name HE1 ))
or
( resid 25 and name HG2#)
(( resid 26 and name HE1 ))
! assi
! ( resid 25 and name HG1#)
! (( resid 27 and name HN ))
! 3.620 1.820 1.820
! or
! ( resid 25 and name HG2#)
! (( resid 27 and name HN ))
assi
( resid 25 and name HG1#)
( resid 28 and name HD# )
2.990 1.190 1.190
or
( resid 25 and name HG2#)
( resid 28 and name HD# )
assi
( resid 25 and name HG1#)
( resid 28 and name HE# )
3.215 1.415 1.415
or
( resid 25 and name HG2#)
( resid 28 and name HE# )
assi
( resid 25 and name HG1#)
(( resid 29 and name HB2 ))
3.370 1.570 1.570
or
( resid 25 and name HG2#)
(( resid 29 and name HB2 ))
or
( resid 25 and name HG1#)
(( resid 29 and name HB1 ))
or
( resid 25 and name HG2#)
(( resid 29 and name HB1 ))
assi
( resid 25 and name HG1#)
(( resid 29 and name HD2 ))
2.945 1.145 1.145
or
( resid 25 and name HG2#)
(( resid 29 and name HD2 ))
or
( resid 25 and name HG1#)
(( resid 29 and name HD1 ))
or
( resid 25 and name HG2#)
(( resid 29 and name HD1 ))
assi
( resid 25 and name HG1#)
(( resid 45 and name HB2 ))
3.425 1.625 1.625
or
( resid 25 and name HG2#)
(( resid 45 and name HB2 ))
or
( resid 25 and name HG1#)
(( resid 45 and name HB1 ))
or
( resid 25 and name HG2#)
(( resid 45 and name HB1 ))
assi
( resid 25 and name HG1#)
( resid 45 and name HD1#)
2.300 0.500 0.500
or
( resid 25 and name HG2#)
( resid 45 and name HD1#)
or
( resid 25 and name HG1#)
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( resid 45 and name HD2#)
assi
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2.910 1.110 1.110
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(( resid 26 and name HN ))
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assi
(( resid 26 and name HN ))
(( resid 26 and name HD2 ))
3.230 1.430 1.430
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(( resid 26 and name HN ))
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assi
(( resid 26 and name HN ))
(( resid 26 and name HE2 ))
3.010 1.210 1.210
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(( resid 26 and name HN ))
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assi
(( resid 26 and name HA ))
(( resid 26 and name HD2 ))
2.995 1.195 1.195
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(( resid 26 and name HA ))
(( resid 26 and name HD1 ))
assi
(( resid 26 and name HA ))
(( resid 26 and name HE2 ))
2.865 1.065 1.065
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(( resid 26 and name HA ))
(( resid 26 and name HE1 ))
assi
(( resid 26 and name HE2 ))
( resid 45 and name HD1#)
3.130 1.330 1.330
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(( resid 26 and name HE1 ))
( resid 45 and name HD1#)
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(( resid 26 and name HE2 ))
( resid 45 and name HD2#)
or
(( resid 26 and name HE1 ))
( resid 45 and name HD2#)
assi
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3.205 1.405 1.405
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(( resid 27 and name HN ))
(( resid 27 and name HD1 ))
assi
(( resid 27 and name HA ))
(( resid 27 and name HG2 ))
2.605 0.805 0.805
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(( resid 27 and name HA ))
(( resid 27 and name HG1 ))
assi
(( resid 27 and name HA ))
(( resid 27 and name HD2 ))
2.915 1.115 1.115
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(( resid 27 and name HA ))
(( resid 27 and name HD1 ))
assi
(( resid 27 and name HA ))
(( resid 30 and name HB1 ))
2.770 0.970 0.970
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(( resid 27 and name HA ))
(( resid 30 and name HB2 ))
assi
(( resid 27 and name HA ))
(( resid 30 and name HG2 ))
2.520 0.720 0.720
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(( resid 27 and name HA ))
(( resid 30 and name HG1 ))
assi
(( resid 27 and name HA ))
( resid 124 and name HD1#)
2.715 0.915 0.915
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( resid 124 and name HD2#)
assi
(( resid 27 and name HB1 ))
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assi
(( resid 27 and name HB1 ))
( resid 124 and name HD1#)
2.575 0.775 0.775
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assi
(( resid 27 and name HG2 ))
( resid 124 and name HD1#)
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( resid 124 and name HD2#)
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( resid 124 and name HD1#)
or
(( resid 27 and name HG1 ))
( resid 124 and name HD2#)
assi
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assi
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assi
(( resid 29 and name HN ))
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3.065 1.265 1.265
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(( resid 29 and name HN ))
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assi
(( resid 29 and name HN ))
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3.165 1.365 1.365
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assi
(( resid 29 and name HN ))
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3.615 1.815 1.815
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(( resid 29 and name HN ))
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assi
(( resid 29 and name HA ))
( resid 41 and name HG1#)
2.990 1.190 1.190
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(( resid 29 and name HA ))
( resid 41 and name HG2#)
assi
(( resid 29 and name HG2 ))
(( resid 30 and name HN ))
3.520 1.720 1.720
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(( resid 30 and name HN ))
assi
(( resid 29 and name HG2 ))
( resid 41 and name HG1#)
2.910 1.110 1.110
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(( resid 29 and name HG1 ))
( resid 41 and name HG1#)
or
(( resid 29 and name HG2 ))
( resid 41 and name HG2#)
or
(( resid 29 and name HG1 ))
( resid 41 and name HG2#)
assi
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5.000 1.200 1.200
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assi
(( resid 29 and name HG2 ))
( resid 45 and name HD1#)
5.975 1.175 1.175
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(( resid 29 and name HG1 ))
( resid 45 and name HD1#)
or
(( resid 29 and name HG2 ))
( resid 45 and name HD2#)
or
(( resid 29 and name HG1 ))
( resid 45 and name HD2#)
assi
(( resid 29 and name HD2 ))
( resid 41 and name HG1#)
3.140 1.340 1.340
or
(( resid 29 and name HD1 ))
( resid 41 and name HG1#)
or
(( resid 29 and name HD2 ))
( resid 41 and name HG2#)
or
(( resid 29 and name HD1 ))
( resid 41 and name HG2#)
assi
(( resid 29 and name HD2 ))
( resid 42 and name HG)
3.115 1.315 1.315
assi
(( resid 29 and name HD2 ))
( resid 42 and name HD1#)
3.115 1.315 1.315
or
(( resid 29 and name HD1 ))
( resid 42 and name HD1#)
or
(( resid 29 and name HD2 ))
( resid 42 and name HD2#)
or
(( resid 29 and name HD1 ))
( resid 42 and name HD2#)
assi
(( resid 29 and name HD2 ))
(( resid 45 and name HB2 ))
4.440 1.640 1.640
or
(( resid 29 and name HD1 ))
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or
(( resid 29 and name HD2 ))
(( resid 45 and name HB1 ))
or
(( resid 29 and name HD1 ))
(( resid 45 and name HB1 ))
assi
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2.715 0.915 0.915
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(( resid 30 and name HN ))
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assi
(( resid 30 and name HN ))
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3.570 1.770 1.770
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(( resid 30 and name HN ))
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assi
(( resid 30 and name HA ))
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2.575 0.775 0.775
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(( resid 30 and name HA ))
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assi
(( resid 30 and name HA ))
(( resid 33 and name HD1 ))
2.860 1.060 1.060
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(( resid 30 and name HA ))
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assi
(( resid 30 and name HB1 ))
(( resid 30 and name HG2 ))
2.080 0.280 0.280
or
(( resid 30 and name HB1 ))
(( resid 30 and name HG1 ))
or
(( resid 30 and name HB2 ))
(( resid 30 and name HG2 ))
or
(( resid 30 and name HB2 ))
(( resid 30 and name HG1 ))
assi
(( resid 30 and name HB1 ))
(( resid 33 and name HB2 ))
3.235 1.435 1.435
or
(( resid 30 and name HB2 ))
(( resid 33 and name HB2 ))
or
(( resid 30 and name HB1 ))
(( resid 33 and name HB1 ))
or
(( resid 30 and name HB2 ))
(( resid 33 and name HB1 ))
assi
(( resid 30 and name HB1 ))
(( resid 33 and name HD1 ))
2.920 1.120 1.120
or
(( resid 30 and name HB2 ))
(( resid 33 and name HD1 ))
or
(( resid 30 and name HB1 ))
(( resid 33 and name HD2 ))
or
(( resid 30 and name HB2 ))
(( resid 33 and name HD2 ))
assi
(( resid 30 and name HB1 ))
(( resid 33 and name HE2 ))
3.130 1.330 1.330
or
(( resid 30 and name HB2 ))
(( resid 33 and name HE2 ))
or
(( resid 30 and name HB1 ))
(( resid 33 and name HE1 ))
or
(( resid 30 and name HB2 ))
(( resid 33 and name HE1 ))
assi
(( resid 30 and name HG2 ))
(( resid 31 and name HN ))
2.920 1.120 1.120
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(( resid 30 and name HG1 ))
(( resid 31 and name HN ))
assi
(( resid 30 and name HG2 ))
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3.180 1.380 1.380
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(( resid 30 and name HG2 ))
( resid 124 and name HD2#)
or
(( resid 30 and name HG1 ))
( resid 124 and name HD1#)
or
(( resid 30 and name HG1 ))
( resid 124 and name HD2#)
assi
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(( resid 31 and name HB1 ))
assi
(( resid 31 and name HA ))
( resid 124 and name HD1#)
3.620 1.820 1.820
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(( resid 31 and name HA ))
( resid 124 and name HD2#)
assi
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(( resid 32 and name HN ))
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(( resid 32 and name HN ))
assi
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3.150 1.350 1.350
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(( resid 31 and name HB2 ))
( resid 124 and name HD2#)
or
(( resid 31 and name HB1 ))
( resid 124 and name HD1#)
or
(( resid 31 and name HB1 ))
( resid 124 and name HD2#)
assi
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or
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assi
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3.380 1.580 1.580
or
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assi
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3.320 1.520 1.520
or
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assi
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assi
(( resid 32 and name HN ))
( resid 32 and name HD1#)
2.840 1.040 1.040
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(( resid 32 and name HN ))
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assi
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3.590 1.790 1.790
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(( resid 32 and name HN ))
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assi
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assi
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assi
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3.215 1.415 1.415
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or
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or
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( resid 41 and name HG2#)
assi
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assi
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assi
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or
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assi
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2.900 1.100 1.100
or
( resid 32 and name HD2#)
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assi
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or
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or
( resid 32 and name HD2#)
( resid 41 and name HG2#)
assi
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assi
(( resid 33 and name HN ))
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3.210 1.410 1.410
or
(( resid 33 and name HN ))
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assi
(( resid 33 and name HN ))
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(( resid 33 and name HB2 ))
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2.510 0.710 0.710
or
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or
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assi
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assi
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assi
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assi
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assi
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assi
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2.640 0.840 0.840
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assi
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assi
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assi
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assi
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2.960 1.160 1.160
or
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assi
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assi
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or
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or
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or
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assi
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assi
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assi
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assi
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or
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or
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or
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assi
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assi
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assi
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or
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assi
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2.930 1.130 1.130
or
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or
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or
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assi
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or
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or
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or
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assi
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2.955 1.155 1.155
or
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assi
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or
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assi
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3.360 1.560 1.560
or
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assi
(( resid 42 and name HA ))
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3.340 1.540 1.540
or
(( resid 42 and name HA ))
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assi
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or
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assi
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3.050 1.250 1.250
or
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assi
( resid 42 and name HD1#)
( resid 46 and name HB# )
2.820 1.020 1.020
or
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assi
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3.440 1.640 1.640
or
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assi
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2.815 1.015 1.015
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assi
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3.300 1.500 1.500
or
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assi
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3.215 1.415 1.415
or
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assi
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2.840 1.040 1.040
or
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assi
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2.975 1.175 1.175
or
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assi
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5.500 5.500 0.000
or
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assi
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( resid 45 and name HD1#)
2.795 0.995 0.995
or
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assi
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2.900 1.100 1.100
or
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assi
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3.620 1.820 1.820
or
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! assi
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! or
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assi
(( resid 45 and name HN ))
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2.735 0.935 0.935
or
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assi
(( resid 45 and name HN ))
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2.750 0.950 0.950
or
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assi
(( resid 45 and name HA ))
( resid 45 and name HD1#)
2.590 0.790 0.790
or
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assi
(( resid 45 and name HB2 ))
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2.630 0.830 0.830
or
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assi
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( resid 46 and name HB# )
2.965 1.165 1.165
or
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assi
( resid 45 and name HD1#)
(( resid 46 and name HN ))
3.320 1.520 1.520
or
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assi
(( resid 46 and name HA ))
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2.925 1.125 1.125
or
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assi
(( resid 48 and name HN ))
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2.625 0.825 0.825
or
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assi
(( resid 48 and name HB2 ))
(( resid 49 and name HN ))
2.660 0.860 0.860
or
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assi
(( resid 48 and name HB2 ))
(( resid 49 and name HA ))
2.985 1.185 1.185
or
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(( resid 49 and name HA ))
assi
(( resid 49 and name HN ))
(( resid 49 and name HB2 ))
2.600 0.800 0.800
or
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assi
(( resid 49 and name HB2 ))
(( resid 50 and name HN ))
2.920 1.120 1.120
or
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(( resid 50 and name HN ))
assi
(( resid 50 and name HN ))
(( resid 50 and name HB2 ))
2.530 0.730 0.730
or
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assi
(( resid 50 and name HB2 ))
(( resid 51 and name HN ))
2.810 1.010 1.010
or
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(( resid 51 and name HN ))
assi
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3.140 1.340 1.340
or
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( resid 66 and name HD1#)
assi
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2.625 0.825 0.825
or
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assi
( resid 50 and name HE# )
(( resid 59 and name HG2 ))
2.800 1.000 1.000
or
( resid 50 and name HE# )
(( resid 59 and name HG1 ))
assi
( resid 50 and name HE# )
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2.965 1.165 1.165
or
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assi
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2.695 0.895 0.895
or
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assi
(( resid 51 and name HN ))
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2.885 1.085 1.085
or
(( resid 51 and name HN ))
(( resid 51 and name HG1 ))
assi
(( resid 51 and name HN ))
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3.175 1.375 1.375
or
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assi
(( resid 51 and name HA ))
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2.755 0.955 0.955
or
(( resid 51 and name HA ))
(( resid 51 and name HG1 ))
assi
(( resid 51 and name HG2 ))
( resid 98 and name HD1#)
3.050 1.250 1.250
or
(( resid 51 and name HG1 ))
( resid 98 and name HD1#)
or
(( resid 51 and name HG2 ))
( resid 98 and name HD2#)
or
(( resid 51 and name HG1 ))
( resid 98 and name HD2#)
assi
(( resid 51 and name HD1 ))
(( resid 52 and name HN ))
2.755 0.955 0.955
or
(( resid 51 and name HD2 ))
(( resid 52 and name HN ))
assi
(( resid 51 and name HD1 ))
(( resid 52 and name HA ))
2.920 1.120 1.120
or
(( resid 51 and name HD2 ))
(( resid 52 and name HA ))
assi
(( resid 52 and name HN ))
(( resid 52 and name HB2 ))
2.425 0.625 0.625
or
(( resid 52 and name HN ))
(( resid 52 and name HB1 ))
assi
(( resid 52 and name HN ))
(( resid 52 and name HG2 ))
2.800 1.000 1.000
or
(( resid 52 and name HN ))
(( resid 52 and name HG1 ))
assi
(( resid 52 and name HN ))
(( resid 52 and name HE2 ))
3.285 1.485 1.485
or
(( resid 52 and name HN ))
(( resid 52 and name HE1 ))
assi
(( resid 52 and name HA ))
(( resid 52 and name HG2 ))
2.700 0.900 0.900
or
(( resid 52 and name HA ))
(( resid 52 and name HG1 ))
assi
(( resid 52 and name HA ))
(( resid 52 and name HD1 ))
3.125 1.325 1.325
or
(( resid 52 and name HA ))
(( resid 52 and name HD2 ))
assi
(( resid 52 and name HA ))
(( resid 52 and name HE2 ))
3.360 1.560 1.560
or
(( resid 52 and name HA ))
(( resid 52 and name HE1 ))
assi
(( resid 52 and name HB2 ))
(( resid 52 and name HE2 ))
2.690 0.890 0.890
or
(( resid 52 and name HB1 ))
(( resid 52 and name HE2 ))
or
(( resid 52 and name HB2 ))
(( resid 52 and name HE1 ))
or
(( resid 52 and name HB1 ))
(( resid 52 and name HE1 ))
assi
(( resid 52 and name HB2 ))
(( resid 53 and name HN ))
2.510 0.710 0.710
or
(( resid 52 and name HB1 ))
(( resid 53 and name HN ))
assi
(( resid 53 and name HN ))
(( resid 53 and name HB1 ))
2.530 0.730 0.730
or
(( resid 53 and name HN ))
(( resid 53 and name HB2 ))
assi
(( resid 53 and name HN ))
(( resid 53 and name HG2 ))
2.520 0.720 0.720
or
(( resid 53 and name HN ))
(( resid 53 and name HG1 ))
assi
(( resid 53 and name HA ))
(( resid 53 and name HG2 ))
2.695 0.895 0.895
or
(( resid 53 and name HA ))
(( resid 53 and name HG1 ))
assi
(( resid 53 and name HB1 ))
(( resid 54 and name HN ))
2.990 1.190 1.190
or
(( resid 53 and name HB2 ))
(( resid 54 and name HN ))
assi
(( resid 54 and name HA ))
(( resid 54 and name HG2 ))
2.730 0.930 0.930
or
(( resid 54 and name HA ))
(( resid 54 and name HG1 ))
assi
(( resid 54 and name HB1 ))
(( resid 55 and name HN ))
2.990 1.190 1.190
or
(( resid 54 and name HB2 ))
(( resid 55 and name HN ))
assi
(( resid 54 and name HB1 ))
(( resid 58 and name HB2 ))
2.930 1.130 1.130
or
(( resid 54 and name HB2 ))
(( resid 58 and name HB2 ))
or
(( resid 54 and name HB1 ))
(( resid 58 and name HB1 ))
or
(( resid 54 and name HB2 ))
(( resid 58 and name HB1 ))
assi
(( resid 54 and name HB1 ))
(( resid 59 and name HN ))
3.005 1.205 1.205
or
(( resid 54 and name HB2 ))
(( resid 59 and name HN ))
assi
(( resid 55 and name HN ))
(( resid 58 and name HB2 ))
3.085 1.285 1.285
or
(( resid 55 and name HN ))
(( resid 58 and name HB1 ))
assi
(( resid 56 and name HN ))
(( resid 56 and name HB1 ))
2.710 0.910 0.910
or
(( resid 56 and name HN ))
(( resid 56 and name HB2 ))
assi
(( resid 56 and name HA ))
(( resid 56 and name HD2 ))
2.835 1.035 1.035
or
(( resid 56 and name HA ))
(( resid 56 and name HD1 ))
assi
(( resid 56 and name HB1 ))
(( resid 57 and name HN ))
2.685 0.885 0.885
or
(( resid 56 and name HB2 ))
(( resid 57 and name HN ))
assi
(( resid 56 and name HD2 ))
(( resid 60 and name HG2 ))
3.210 1.410 1.410
or
(( resid 56 and name HD1 ))
(( resid 60 and name HG2 ))
or
(( resid 56 and name HD2 ))
(( resid 60 and name HG1 ))
or
(( resid 56 and name HD1 ))
(( resid 60 and name HG1 ))
assi
(( resid 56 and name HE2 ))
(( resid 60 and name HG2 ))
2.970 1.170 1.170
or
(( resid 56 and name HE1 ))
(( resid 60 and name HG2 ))
or
(( resid 56 and name HE2 ))
(( resid 60 and name HG1 ))
or
(( resid 56 and name HE1 ))
(( resid 60 and name HG1 ))
assi
(( resid 56 and name HE2 ))
(( resid 60 and name HE22))
3.025 1.225 1.225
or
(( resid 56 and name HE1 ))
(( resid 60 and name HE22))
or
(( resid 56 and name HE2 ))
(( resid 60 and name HE21))
or
(( resid 56 and name HE1 ))
(( resid 60 and name HE21))
assi
(( resid 57 and name HA ))
(( resid 60 and name HE22))
2.855 1.055 1.055
or
(( resid 57 and name HA ))
(( resid 60 and name HE21))
assi
(( resid 58 and name HN ))
(( resid 58 and name HB2 ))
2.450 0.650 0.650
or
(( resid 58 and name HN ))
(( resid 58 and name HB1 ))
assi
(( resid 58 and name HN ))
(( resid 58 and name HG2 ))
2.840 1.040 1.040
or
(( resid 58 and name HN ))
(( resid 58 and name HG1 ))
assi
(( resid 58 and name HB2 ))
(( resid 58 and name HE21))
2.985 1.185 1.185
or
(( resid 58 and name HB1 ))
(( resid 58 and name HE21))
or
(( resid 58 and name HB2 ))
(( resid 58 and name HE22))
or
(( resid 58 and name HB1 ))
(( resid 58 and name HE22))
assi
(( resid 58 and name HB2 ))
(( resid 59 and name HN ))
2.320 0.520 0.520
or
(( resid 58 and name HB1 ))
(( resid 59 and name HN ))
assi
(( resid 59 and name HN ))
(( resid 59 and name HB1 ))
2.635 0.835 0.835
or
(( resid 59 and name HN ))
(( resid 59 and name HB2 ))
assi
(( resid 59 and name HA ))
(( resid 59 and name HG2 ))
2.660 0.860 0.860
or
(( resid 59 and name HA ))
(( resid 59 and name HG1 ))
assi
(( resid 59 and name HB1 ))
(( resid 60 and name HN ))
2.790 0.990 0.990
or
(( resid 59 and name HB2 ))
(( resid 60 and name HN ))
assi
(( resid 59 and name HB1 ))
(( resid 60 and name HG2 ))
3.075 1.275 1.275
or
(( resid 59 and name HB2 ))
(( resid 60 and name HG2 ))
or
(( resid 59 and name HB1 ))
(( resid 60 and name HG1 ))
or
(( resid 59 and name HB2 ))
(( resid 60 and name HG1 ))
assi
(( resid 60 and name HN ))
(( resid 60 and name HB2 ))
2.545 0.745 0.745
or
(( resid 60 and name HN ))
(( resid 60 and name HB1 ))
assi
(( resid 60 and name HN ))
(( resid 60 and name HG2 ))
2.585 0.785 0.785
or
(( resid 60 and name HN ))
(( resid 60 and name HG1 ))
assi
(( resid 60 and name HB2 ))
(( resid 61 and name HN ))
2.330 0.530 0.530
or
(( resid 60 and name HB1 ))
(( resid 61 and name HN ))
assi
(( resid 60 and name HG2 ))
(( resid 60 and name HE22))
2.445 0.645 0.645
or
(( resid 60 and name HG1 ))
(( resid 60 and name HE22))
or
(( resid 60 and name HG2 ))
(( resid 60 and name HE21))
or
(( resid 60 and name HG1 ))
(( resid 60 and name HE21))
assi
(( resid 61 and name HN ))
(( resid 61 and name HG2 ))
2.675 0.875 0.875
or
(( resid 61 and name HN ))
(( resid 61 and name HG1 ))
assi
(( resid 61 and name HA ))
(( resid 61 and name HG2 ))
2.600 0.800 0.800
or
(( resid 61 and name HA ))
(( resid 61 and name HG1 ))
assi
(( resid 61 and name HA ))
(( resid 64 and name HG2 ))
2.685 0.885 0.885
or
(( resid 61 and name HA ))
(( resid 64 and name HG1 ))
assi
(( resid 61 and name HA ))
(( resid 64 and name HD2 ))
3.080 1.280 1.280
or
(( resid 61 and name HA ))
(( resid 64 and name HD1 ))
assi
(( resid 61 and name HB1 ))
(( resid 62 and name HN ))
2.470 0.670 0.670
or
(( resid 61 and name HB2 ))
(( resid 62 and name HN ))
assi
(( resid 61 and name HB1 ))
(( resid 64 and name HG2 ))
3.490 1.690 1.690
or
(( resid 61 and name HB2 ))
(( resid 64 and name HG2 ))
or
(( resid 61 and name HB1 ))
(( resid 64 and name HG1 ))
or
(( resid 61 and name HB2 ))
(( resid 64 and name HG1 ))
assi
(( resid 61 and name HB1 ))
(( resid 64 and name HD2 ))
3.115 1.315 1.315
or
(( resid 61 and name HB2 ))
(( resid 64 and name HD2 ))
or
(( resid 61 and name HB1 ))
(( resid 64 and name HD1 ))
or
(( resid 61 and name HB2 ))
(( resid 64 and name HD1 ))
assi
(( resid 62 and name HN ))
(( resid 62 and name HB2 ))
2.565 0.765 0.765
or
(( resid 62 and name HN ))
(( resid 62 and name HB1 ))
assi
(( resid 62 and name HA ))
(( resid 65 and name HG2 ))
2.950 1.150 1.150
or
(( resid 62 and name HA ))
(( resid 65 and name HG1 ))
assi
(( resid 62 and name HB2 ))
( resid 63 and name HB# )
3.020 1.220 1.220
or
(( resid 62 and name HB1 ))
( resid 63 and name HB# )
assi
(( resid 63 and name HN ))
(( resid 64 and name HD2 ))
3.335 1.535 1.535
or
(( resid 63 and name HN ))
(( resid 64 and name HD1 ))
assi
(( resid 63 and name HA ))
(( resid 64 and name HG2 ))
5.500 5.000 0.810
or
(( resid 63 and name HA ))
(( resid 64 and name HG1 ))
assi
( resid 63 and name HB# )
( resid 92 and name HD1#)
2.765 0.965 0.965
or
( resid 63 and name HB# )
( resid 92 and name HD2#)
assi
( resid 63 and name HB# )
(( resid 99 and name HG2 ))
2.950 1.150 1.150
or
( resid 63 and name HB# )
(( resid 99 and name HG1 ))
assi
(( resid 64 and name HN ))
(( resid 64 and name HG2 ))
2.965 1.165 1.165
or
(( resid 64 and name HN ))
(( resid 64 and name HG1 ))
assi
(( resid 64 and name HN ))
(( resid 65 and name HB2 ))
3.285 1.485 1.485
or
(( resid 64 and name HN ))
(( resid 65 and name HB1 ))
assi
(( resid 64 and name HN ))
( resid 92 and name HD1#)
3.360 1.560 1.560
or
(( resid 64 and name HN ))
( resid 92 and name HD2#)
assi
(( resid 64 and name HA ))
( resid 92 and name HD1#)
2.790 0.990 0.990
or
(( resid 64 and name HA ))
( resid 92 and name HD2#)
assi
(( resid 64 and name HB1 ))
(( resid 64 and name HD2 ))
2.540 0.740 0.740
or
(( resid 64 and name HB1 ))
(( resid 64 and name HD1 ))
or
(( resid 64 and name HB2 ))
(( resid 64 and name HD2 ))
or
(( resid 64 and name HB2 ))
(( resid 64 and name HD1 ))
assi
(( resid 64 and name HB1 ))
(( resid 65 and name HN ))
2.625 0.825 0.825
or
(( resid 64 and name HB2 ))
(( resid 65 and name HN ))
assi
(( resid 64 and name HG2 ))
(( resid 65 and name HN ))
3.050 1.250 1.250
or
(( resid 64 and name HG1 ))
(( resid 65 and name HN ))
assi
(( resid 64 and name HD2 ))
(( resid 65 and name HN ))
3.315 1.515 1.515
or
(( resid 64 and name HD1 ))
(( resid 65 and name HN ))
assi
(( resid 65 and name HN ))
(( resid 65 and name HB2 ))
2.600 0.800 0.800
or
(( resid 65 and name HN ))
(( resid 65 and name HB1 ))
assi
(( resid 65 and name HB2 ))
(( resid 66 and name HN ))
2.865 1.065 1.065
or
(( resid 65 and name HB1 ))
(( resid 66 and name HN ))
! assi
! (( resid 66 and name HG11))
! ( resid 87 and name HD1#)
! 2.985 1.185 1.185
! or
! (( resid 66 and name HG11))
! ( resid 87 and name HD2#)
! assi
! ( resid 66 and name HD1#)
! ( resid 87 and name HD1#)
! 2.810 1.010 1.010
! or
! ( resid 66 and name HD1#)
! ( resid 87 and name HD2#)
!
! suspicious !!!
!
assi
(( resid 67 and name HN ))
( resid 92 and name HD1#)
3.475 1.675 1.675
or
(( resid 67 and name HN ))
( resid 92 and name HD2#)
assi
(( resid 67 and name HA ))
( resid 71 and name HD1#)
3.315 1.515 1.515
or
(( resid 67 and name HA ))
( resid 71 and name HD2#)
assi
(( resid 67 and name HA ))
( resid 87 and name HD1#)
3.160 1.360 1.360
or
(( resid 67 and name HA ))
( resid 87 and name HD2#)
assi
(( resid 67 and name HB2 ))
(( resid 68 and name HN ))
2.810 1.010 1.010
or
(( resid 67 and name HB1 ))
(( resid 68 and name HN ))
assi
( resid 67 and name HD# )
( resid 71 and name HD1#)
2.990 1.190 1.190
or
( resid 67 and name HD# )
( resid 71 and name HD2#)
assi
( resid 67 and name HD# )
( resid 87 and name HD1#)
3.125 1.325 1.325
or
( resid 67 and name HD# )
( resid 87 and name HD2#)
assi
( resid 67 and name HD# )
( resid 92 and name HD1#)
2.760 0.960 0.960
or
( resid 67 and name HD# )
( resid 92 and name HD2#)
assi
( resid 67 and name HE# )
( resid 71 and name HD1#)
2.965 1.165 1.165
or
( resid 67 and name HE# )
( resid 71 and name HD2#)
assi
( resid 67 and name HE# )
( resid 92 and name HD1#)
2.975 1.175 1.175
or
( resid 67 and name HE# )
( resid 92 and name HD2#)
assi
(( resid 68 and name HN ))
(( resid 68 and name HB2 ))
2.685 0.885 0.885
or
(( resid 68 and name HN ))
(( resid 68 and name HB1 ))
assi
(( resid 68 and name HN ))
(( resid 68 and name HG2 ))
3.130 1.330 1.330
or
(( resid 68 and name HN ))
(( resid 68 and name HG1 ))
assi
(( resid 70 and name HA ))
(( resid 70 and name HB1 ))
2.225 0.425 0.425
or
(( resid 70 and name HA ))
(( resid 70 and name HB2 ))
assi
(( resid 70 and name HB1 ))
(( resid 71 and name HN ))
2.950 1.150 1.150
or
(( resid 70 and name HB2 ))
(( resid 71 and name HN ))
! assi
! (( resid 71 and name HN ))
! ( resid 87 and name HD1#)
! 3.415 1.615 1.615
! or
! (( resid 71 and name HN ))
! ( resid 87 and name HD2#)
!
! unlikely
!
assi
(( resid 71 and name HA ))
( resid 71 and name HD1#)
2.780 0.980 0.980
or
(( resid 71 and name HA ))
( resid 71 and name HD2#)
! assi
! (( resid 71 and name HB2 ))
! ( resid 87 and name HD1#)
! 3.570 1.770 1.770
! or
! (( resid 71 and name HB2 ))
! ( resid 87 and name HD2#)
!
! unlikely
!
assi
( resid 71 and name HD1#)
(( resid 72 and name HN ))
3.165 1.365 1.365
or
( resid 71 and name HD2#)
(( resid 72 and name HN ))
assi
( resid 71 and name HD1#)
( resid 81 and name HG1#)
2.805 1.005 1.005
or
( resid 71 and name HD2#)
( resid 81 and name HG1#)
or
( resid 71 and name HD1#)
( resid 81 and name HG2#)
or
( resid 71 and name HD2#)
( resid 81 and name HG2#)
! assi
! ( resid 71 and name HD1#)
! ( resid 87 and name HD1#)
! 3.030 1.230 1.230
! or
! ( resid 71 and name HD2#)
! ( resid 87 and name HD1#)
! or
! ( resid 71 and name HD1#)
! ( resid 87 and name HD2#)
! or
! ( resid 71 and name HD2#)
! ( resid 87 and name HD2#)
!!
! unlikely
!
assi
(( resid 72 and name HB2 ))
(( resid 73 and name HN ))
3.120 1.320 1.320
or
(( resid 72 and name HB1 ))
(( resid 73 and name HN ))
assi
(( resid 74 and name HN ))
(( resid 74 and name HB1 ))
2.510 0.710 0.710
or
(( resid 74 and name HN ))
(( resid 74 and name HB2 ))
assi
(( resid 74 and name HA ))
(( resid 74 and name HG2 ))
2.725 0.925 0.925
or
(( resid 74 and name HA ))
(( resid 74 and name HG1 ))
assi
(( resid 74 and name HB1 ))
( resid 75 and name HB# )
3.565 1.765 1.765
or
(( resid 74 and name HB2 ))
( resid 75 and name HB# )
assi
( resid 75 and name HB# )
(( resid 78 and name HB1 ))
3.080 1.280 1.280
or
( resid 75 and name HB# )
(( resid 78 and name HB2 ))
assi
(( resid 76 and name HB2 ))
(( resid 77 and name HN ))
2.795 0.995 0.995
or
(( resid 76 and name HB1 ))
(( resid 77 and name HN ))
assi
(( resid 77 and name HN ))
(( resid 77 and name HB1 ))
2.740 0.940 0.940
or
(( resid 77 and name HN ))
(( resid 77 and name HB2 ))
assi
(( resid 78 and name HN ))
(( resid 78 and name HB1 ))
2.570 0.770 0.770
or
(( resid 78 and name HN ))
(( resid 78 and name HB2 ))
assi
(( resid 78 and name HB1 ))
(( resid 79 and name HN ))
2.595 0.795 0.795
or
(( resid 78 and name HB2 ))
(( resid 79 and name HN ))
assi
(( resid 78 and name HG2 ))
(( resid 78 and name HE22))
2.500 0.700 0.700
or
(( resid 78 and name HG2 ))
(( resid 78 and name HE21))
or
(( resid 78 and name HG1 ))
(( resid 78 and name HE22))
or
(( resid 78 and name HG1 ))
(( resid 78 and name HE21))
assi
(( resid 79 and name HN ))
( resid 79 and name HG1#)
2.690 0.890 0.890
or
(( resid 79 and name HN ))
( resid 79 and name HG2#)
assi
(( resid 79 and name HB ))
( resid 81 and name HG1#)
3.280 1.480 1.480
or
(( resid 79 and name HB ))
( resid 81 and name HG2#)
assi
( resid 79 and name HG1#)
(( resid 80 and name HN ))
2.840 1.040 1.040
or
( resid 79 and name HG2#)
(( resid 80 and name HN ))
assi
( resid 79 and name HG1#)
( resid 81 and name HG1#)
2.375 0.575 0.575
or
( resid 79 and name HG2#)
( resid 81 and name HG1#)
or
( resid 79 and name HG1#)
( resid 81 and name HG2#)
or
( resid 79 and name HG2#)
( resid 81 and name HG2#)
assi
(( resid 80 and name HN ))
(( resid 80 and name HB2 ))
2.580 0.780 0.780
or
(( resid 80 and name HN ))
(( resid 80 and name HB1 ))
assi
(( resid 80 and name HB2 ))
(( resid 80 and name HD21))
2.500 0.700 0.700
or
(( resid 80 and name HB1 ))
(( resid 80 and name HD21))
or
(( resid 80 and name HB2 ))
(( resid 80 and name HD22))
or
(( resid 80 and name HB1 ))
(( resid 80 and name HD22))
assi
(( resid 81 and name HN ))
( resid 81 and name HG1#)
2.670 0.870 0.870
or
(( resid 81 and name HN ))
( resid 81 and name HG2#)
assi
( resid 81 and name HG1#)
(( resid 82 and name HN ))
2.945 1.145 1.145
or
( resid 81 and name HG2#)
(( resid 82 and name HN ))
assi
( resid 81 and name HG1#)
(( resid 106 and name HE22))
2.990 1.190 1.190
or
( resid 81 and name HG1#)
(( resid 106 and name HE21))
or
( resid 81 and name HG2#)
(( resid 106 and name HE22))
or
( resid 81 and name HG2#)
(( resid 106 and name HE21))
assi
( resid 81 and name HG1#)
(( resid 107 and name HA ))
3.410 1.610 1.610
or
( resid 81 and name HG2#)
(( resid 107 and name HA ))
assi
( resid 81 and name HG1#)
(( resid 107 and name HB ))
3.350 1.550 1.550
or
( resid 81 and name HG2#)
(( resid 107 and name HB ))
assi
( resid 81 and name HG1#)
( resid 107 and name HD1#)
2.655 0.855 0.855
or
( resid 81 and name HG2#)
( resid 107 and name HD1#)
assi
( resid 81 and name HG1#)
(( resid 110 and name HB2 ))
3.480 1.680 1.680
or
( resid 81 and name HG1#)
(( resid 110 and name HB1 ))
or
( resid 81 and name HG2#)
(( resid 110 and name HB2 ))
or
( resid 81 and name HG2#)
(( resid 110 and name HB1 ))
assi
( resid 81 and name HG1#)
(( resid 110 and name HG ))
3.620 1.820 1.820
or
( resid 81 and name HG2#)
(( resid 110 and name HG ))
assi
( resid 81 and name HG1#)
( resid 110 and name HD1#)
2.840 1.040 1.040
or
( resid 81 and name HG1#)
( resid 110 and name HD2#)
or
( resid 81 and name HG2#)
( resid 110 and name HD1#)
or
( resid 81 and name HG2#)
( resid 110 and name HD2#)
assi
(( resid 82 and name HN ))
(( resid 82 and name HB1 ))
2.485 0.685 0.685
or
(( resid 82 and name HN ))
(( resid 82 and name HB2 ))
assi
(( resid 82 and name HN ))
(( resid 82 and name HG2 ))
2.855 1.055 1.055
or
(( resid 82 and name HN ))
(( resid 82 and name HG1 ))
assi
(( resid 82 and name HA ))
(( resid 82 and name HG2 ))
2.740 0.940 0.940
or
(( resid 82 and name HA ))
(( resid 82 and name HG1 ))
assi
(( resid 82 and name HA ))
(( resid 83 and name HA2 ))
3.065 1.265 1.265
or
(( resid 82 and name HA ))
(( resid 83 and name HA1 ))
assi
(( resid 82 and name HB1 ))
(( resid 106 and name HE22))
3.235 1.435 1.435
or
(( resid 82 and name HB1 ))
(( resid 106 and name HE21))
or
(( resid 82 and name HB2 ))
(( resid 106 and name HE22))
or
(( resid 82 and name HB2 ))
(( resid 106 and name HE21))
assi
(( resid 84 and name HB1 ))
(( resid 84 and name HE22))
3.075 1.275 1.275
or
(( resid 84 and name HB2 ))
(( resid 84 and name HE22))
or
(( resid 84 and name HB1 ))
(( resid 84 and name HE21))
or
(( resid 84 and name HB2 ))
(( resid 84 and name HE21))
assi
(( resid 86 and name HN ))
(( resid 86 and name HB2 ))
2.620 0.820 0.820
or
(( resid 86 and name HN ))
(( resid 86 and name HB1 ))
assi
(( resid 86 and name HN ))
(( resid 86 and name HG2 ))
3.035 1.235 1.235
or
(( resid 86 and name HN ))
(( resid 86 and name HG1 ))
assi
(( resid 86 and name HB2 ))
(( resid 86 and name HD2 ))
2.555 0.755 0.755
or
(( resid 86 and name HB1 ))
(( resid 86 and name HD2 ))
or
(( resid 86 and name HB2 ))
(( resid 86 and name HD1 ))
or
(( resid 86 and name HB1 ))
(( resid 86 and name HD1 ))
assi
(( resid 86 and name HB2 ))
(( resid 87 and name HN ))
2.485 0.685 0.685
or
(( resid 86 and name HB1 ))
(( resid 87 and name HN ))
assi
(( resid 87 and name HN ))
( resid 87 and name HD1#)
3.080 1.280 1.280
or
(( resid 87 and name HN ))
( resid 87 and name HD2#)
! assi
! (( resid 87 and name HN ))
! ( resid 103 and name HD1#)
! 3.345 1.545 1.545
! or
! (( resid 87 and name HN ))
! ( resid 103 and name HD2#)
!
! wrong !!!!
!
assi
(( resid 87 and name HA ))
( resid 87 and name HD1#)
2.480 0.680 0.680
or
(( resid 87 and name HA ))
( resid 87 and name HD2#)
! assi
! (( resid 87 and name HA ))
! ( resid 103 and name HD1#)
! 3.310 1.510 1.510
! or
! (( resid 87 and name HA ))
! ( resid 103 and name HD2#)
!
! unreliable
!
assi
(( resid 87 and name HB1 ))
( resid 92 and name HD1#)
3.155 1.355 1.355
or
(( resid 87 and name HB1 ))
( resid 92 and name HD2#)
! assi
! (( resid 87 and name HG ))
! ( resid 103 and name HD1#)
! 2.785 0.985 0.985
! or
! (( resid 87 and name HG ))
! ( resid 103 and name HD2#)
!
! unreliable
!
assi
( resid 87 and name HD1#)
(( resid 88 and name HN ))
3.150 1.350 1.350
or
( resid 87 and name HD2#)
(( resid 88 and name HN ))
assi
( resid 87 and name HD1#)
(( resid 91 and name HB ))
3.620 1.820 1.820
or
( resid 87 and name HD2#)
(( resid 91 and name HB ))
assi
( resid 87 and name HD1#)
( resid 91 and name HD1#)
2.665 0.865 0.865
or
( resid 87 and name HD2#)
( resid 91 and name HD1#)
assi
( resid 87 and name HD1#)
( resid 92 and name HD1#)
3.330 1.530 1.530
or
( resid 87 and name HD2#)
( resid 92 and name HD1#)
or
( resid 87 and name HD1#)
( resid 92 and name HD2#)
or
( resid 87 and name HD2#)
( resid 92 and name HD2#)
assi
( resid 87 and name HD1#)
( resid 99 and name HE# )
2.950 1.150 1.150
or
( resid 87 and name HD2#)
( resid 99 and name HE# )
assi
( resid 87 and name HD1#)
( resid 100 and name HE# )
3.180 1.380 1.380
or
( resid 87 and name HD2#)
( resid 100 and name HD# )
assi
( resid 87 and name HD1#)
( resid 100 and name HD# )
3.180 1.380 1.380
or
( resid 87 and name HD2#)
( resid 100 and name HE# )
assi
( resid 87 and name HD1#)
( resid 103 and name HD1#)
2.630 0.830 0.830
or
( resid 87 and name HD1#)
( resid 103 and name HD2#)
or
( resid 87 and name HD2#)
( resid 103 and name HD1#)
or
( resid 87 and name HD2#)
( resid 103 and name HD2#)
assi
(( resid 88 and name HN ))
(( resid 88 and name HB1 ))
2.665 0.865 0.865
or
(( resid 88 and name HN ))
(( resid 88 and name HB2 ))
! assi
! (( resid 88 and name HN ))
! ( resid 103 and name HD1#)
! 3.285 1.485 1.485
! or
! (( resid 88 and name HN ))
! ( resid 103 and name HD2#)
!!
! unreliable
!
assi
(( resid 88 and name HB1 ))
(( resid 88 and name HD21))
2.510 0.710 0.710
or
(( resid 88 and name HB2 ))
(( resid 88 and name HD21))
or
(( resid 88 and name HB1 ))
(( resid 88 and name HD22))
or
(( resid 88 and name HB2 ))
(( resid 88 and name HD22))
assi
(( resid 88 and name HB1 ))
(( resid 89 and name HN ))
2.580 0.780 0.780
or
(( resid 88 and name HB2 ))
(( resid 89 and name HN ))
assi
(( resid 89 and name HN ))
(( resid 89 and name HB2 ))
2.660 0.860 0.860
or
(( resid 89 and name HN ))
(( resid 89 and name HB1 ))
assi
(( resid 89 and name HN ))
(( resid 89 and name HG2 ))
3.195 1.395 1.395
or
(( resid 89 and name HN ))
(( resid 89 and name HG1 ))
assi
(( resid 89 and name HB2 ))
(( resid 90 and name HN ))
2.935 1.135 1.135
or
(( resid 89 and name HB1 ))
(( resid 90 and name HN ))
assi
(( resid 89 and name HG2 ))
(( resid 90 and name HN ))
3.315 1.515 1.515
or
(( resid 89 and name HG1 ))
(( resid 90 and name HN ))
assi
(( resid 90 and name HN ))
(( resid 90 and name HB1 ))
2.415 0.615 0.615
or
(( resid 90 and name HN ))
(( resid 90 and name HB2 ))
assi
(( resid 90 and name HN ))
(( resid 90 and name HG2 ))
2.725 0.925 0.925
or
(( resid 90 and name HN ))
(( resid 90 and name HG1 ))
assi
(( resid 90 and name HN ))
(( resid 90 and name HE2 ))
3.010 1.210 1.210
or
(( resid 90 and name HN ))
(( resid 90 and name HE1 ))
assi
(( resid 90 and name HA ))
(( resid 90 and name HD2 ))
3.240 1.440 1.440
or
(( resid 90 and name HA ))
(( resid 90 and name HD1 ))
assi
(( resid 90 and name HA ))
(( resid 90 and name HE2 ))
3.375 1.575 1.575
or
(( resid 90 and name HA ))
(( resid 90 and name HE1 ))
assi
(( resid 91 and name HN ))
(( resid 91 and name HG12))
2.920 1.120 1.120
or
(( resid 91 and name HN ))
(( resid 91 and name HG11))
assi
(( resid 91 and name HA ))
(( resid 91 and name HG12))
2.765 0.965 0.965
or
(( resid 91 and name HA ))
(( resid 91 and name HG11))
assi
( resid 91 and name HG2#)
( resid 92 and name HD1#)
2.770 0.970 0.970
or
( resid 91 and name HG2#)
( resid 92 and name HD2#)
assi
(( resid 91 and name HG12))
(( resid 92 and name HN ))
2.945 1.145 1.145
or
(( resid 91 and name HG11))
(( resid 92 and name HN ))
assi
(( resid 91 and name HG12))
( resid 99 and name HE# )
2.910 1.110 1.110
or
(( resid 91 and name HG11))
( resid 99 and name HE# )
assi
( resid 91 and name HD1#)
( resid 92 and name HD1#)
3.220 1.420 1.420
or
( resid 91 and name HD1#)
( resid 92 and name HD2#)
assi
( resid 91 and name HD1#)
(( resid 99 and name HB1 ))
3.060 1.260 1.260
or
( resid 91 and name HD1#)
(( resid 99 and name HB2 ))
assi
(( resid 92 and name HN ))
(( resid 92 and name HB2 ))
2.620 0.820 0.820
or
(( resid 92 and name HN ))
(( resid 92 and name HB1 ))
assi
(( resid 92 and name HN ))
( resid 92 and name HD1#)
2.730 0.930 0.930
or
(( resid 92 and name HN ))
( resid 92 and name HD2#)
assi
(( resid 92 and name HA ))
( resid 92 and name HD1#)
2.690 0.890 0.890
or
(( resid 92 and name HA ))
( resid 92 and name HD2#)
assi
(( resid 92 and name HB2 ))
(( resid 93 and name HN ))
2.790 0.990 0.990
or
(( resid 92 and name HB1 ))
(( resid 93 and name HN ))
assi
(( resid 92 and name HB2 ))
(( resid 93 and name HG2 ))
2.730 0.930 0.930
or
(( resid 92 and name HB1 ))
(( resid 93 and name HG2 ))
or
(( resid 92 and name HB2 ))
(( resid 93 and name HG1 ))
or
(( resid 92 and name HB1 ))
(( resid 93 and name HG1 ))
assi
( resid 92 and name HD1#)
( resid 99 and name HE# )
2.700 0.900 0.900
or
( resid 92 and name HD2#)
( resid 99 and name HE# )
assi
(( resid 93 and name HN ))
(( resid 93 and name HB1 ))
2.520 0.720 0.720
or
(( resid 93 and name HN ))
(( resid 93 and name HB2 ))
assi
(( resid 93 and name HN ))
(( resid 93 and name HG2 ))
2.865 1.065 1.065
or
(( resid 93 and name HN ))
(( resid 93 and name HG1 ))
assi
(( resid 93 and name HA ))
(( resid 93 and name HG2 ))
2.645 0.845 0.845
or
(( resid 93 and name HA ))
(( resid 93 and name HG1 ))
assi
(( resid 93 and name HB1 ))
(( resid 94 and name HN ))
2.660 0.860 0.860
or
(( resid 93 and name HB2 ))
(( resid 94 and name HN ))
assi
(( resid 94 and name HN ))
(( resid 94 and name HG2 ))
3.195 1.395 1.395
or
(( resid 94 and name HN ))
(( resid 94 and name HG1 ))
assi
(( resid 94 and name HA ))
(( resid 94 and name HG2 ))
2.725 0.925 0.925
or
(( resid 94 and name HA ))
(( resid 94 and name HG1 ))
assi
(( resid 95 and name HB2 ))
(( resid 96 and name HN ))
2.525 0.725 0.725
or
(( resid 95 and name HB1 ))
(( resid 96 and name HN ))
assi
(( resid 95 and name HB2 ))
( resid 99 and name HE# )
2.785 0.985 0.985
or
(( resid 95 and name HB1 ))
( resid 99 and name HE# )
assi
(( resid 96 and name HB1 ))
(( resid 96 and name HD2 ))
2.605 0.805 0.805
or
(( resid 96 and name HB2 ))
(( resid 96 and name HD2 ))
assi
(( resid 97 and name HB1 ))
(( resid 98 and name HN ))
2.705 0.905 0.905
or
(( resid 97 and name HB2 ))
(( resid 98 and name HN ))
assi
(( resid 98 and name HN ))
(( resid 98 and name HB1 ))
2.640 0.840 0.840
or
(( resid 98 and name HN ))
(( resid 98 and name HB2 ))
assi
(( resid 98 and name HN ))
( resid 98 and name HD1#)
3.035 1.235 1.235
or
(( resid 98 and name HN ))
( resid 98 and name HD2#)
assi
(( resid 98 and name HA ))
( resid 98 and name HD1#)
2.645 0.845 0.845
or
(( resid 98 and name HA ))
( resid 98 and name HD2#)
assi
(( resid 98 and name HB1 ))
( resid 98 and name HD1#)
2.300 0.500 0.500
or
(( resid 98 and name HB2 ))
( resid 98 and name HD1#)
or
(( resid 98 and name HB1 ))
( resid 98 and name HD2#)
or
(( resid 98 and name HB2 ))
( resid 98 and name HD2#)
assi
(( resid 98 and name HB1 ))
(( resid 99 and name HN ))
3.060 1.260 1.260
or
(( resid 98 and name HB2 ))
(( resid 99 and name HN ))
assi
( resid 98 and name HD1#)
(( resid 99 and name HN ))
3.305 1.505 1.505
or
( resid 98 and name HD2#)
(( resid 99 and name HN ))
assi
( resid 98 and name HD1#)
(( resid 101 and name HE21))
3.195 1.395 1.395
or
( resid 98 and name HD1#)
(( resid 101 and name HE22))
or
( resid 98 and name HD2#)
(( resid 101 and name HE21))
or
( resid 98 and name HD2#)
(( resid 101 and name HE22))
assi
(( resid 99 and name HA ))
( resid 103 and name HD1#)
3.345 1.545 1.545
or
(( resid 99 and name HA ))
( resid 103 and name HD2#)
assi
(( resid 99 and name HB1 ))
( resid 103 and name HD1#)
2.960 1.160 1.160
or
(( resid 99 and name HB1 ))
( resid 103 and name HD2#)
or
(( resid 99 and name HB2 ))
( resid 103 and name HD1#)
or
(( resid 99 and name HB2 ))
( resid 103 and name HD2#)
assi
(( resid 99 and name HG2 ))
(( resid 100 and name HN ))
3.400 1.600 1.600
or
(( resid 99 and name HG1 ))
(( resid 100 and name HN ))
assi
( resid 99 and name HE# )
( resid 103 and name HD1#)
3.445 1.645 1.645
or
( resid 99 and name HE# )
( resid 103 and name HD2#)
assi
(( resid 100 and name HN ))
(( resid 100 and name HB2 ))
2.700 0.900 0.900
or
(( resid 100 and name HN ))
(( resid 100 and name HB1 ))
assi
(( resid 100 and name HN ))
(( resid 101 and name HB2 ))
3.245 1.445 1.445
or
(( resid 100 and name HN ))
(( resid 101 and name HB1 ))
assi
(( resid 100 and name HN ))
(( resid 101 and name HE21))
2.885 1.085 1.085
or
(( resid 100 and name HN ))
(( resid 101 and name HE22))
assi
(( resid 100 and name HA ))
(( resid 101 and name HE21))
3.500 1.700 1.700
or
(( resid 100 and name HA ))
(( resid 101 and name HE22))
assi
(( resid 100 and name HA ))
(( resid 103 and name HB2 ))
2.965 1.165 1.165
or
(( resid 100 and name HA ))
(( resid 103 and name HB1 ))
assi
(( resid 100 and name HA ))
( resid 103 and name HD1#)
2.945 1.145 1.145
or
(( resid 100 and name HA ))
( resid 103 and name HD2#)
assi
(( resid 100 and name HB2 ))
(( resid 101 and name HE21))
3.000 1.200 1.200
or
(( resid 100 and name HB1 ))
(( resid 101 and name HE21))
or
(( resid 100 and name HB2 ))
(( resid 101 and name HE22))
or
(( resid 100 and name HB1 ))
(( resid 101 and name HE22))
assi
(( resid 101 and name HN ))
(( resid 101 and name HB2 ))
2.480 0.680 0.680
or
(( resid 101 and name HN ))
(( resid 101 and name HB1 ))
assi
(( resid 101 and name HN ))
(( resid 101 and name HG2 ))
2.810 1.010 1.010
or
(( resid 101 and name HN ))
(( resid 101 and name HG1 ))
assi
(( resid 101 and name HN ))
(( resid 101 and name HE21))
2.620 0.820 0.820
or
(( resid 101 and name HN ))
(( resid 101 and name HE22))
assi
(( resid 101 and name HA ))
(( resid 101 and name HE21))
3.205 1.405 1.405
or
(( resid 101 and name HA ))
(( resid 101 and name HE22))
assi
(( resid 101 and name HB2 ))
(( resid 101 and name HG2 ))
2.055 0.255 0.255
or
(( resid 101 and name HB1 ))
(( resid 101 and name HG2 ))
or
(( resid 101 and name HB2 ))
(( resid 101 and name HG1 ))
or
(( resid 101 and name HB1 ))
(( resid 101 and name HG1 ))
assi
(( resid 101 and name HB2 ))
(( resid 102 and name HN ))
2.875 1.075 1.075
or
(( resid 101 and name HB1 ))
(( resid 102 and name HN ))
assi
(( resid 101 and name HB2 ))
(( resid 102 and name HB2 ))
3.280 1.480 1.480
or
(( resid 101 and name HB1 ))
(( resid 102 and name HB2 ))
or
(( resid 101 and name HB2 ))
(( resid 102 and name HB1 ))
or
(( resid 101 and name HB1 ))
(( resid 102 and name HB1 ))
assi
(( resid 101 and name HG2 ))
(( resid 101 and name HE21))
2.415 0.615 0.615
or
(( resid 101 and name HG1 ))
(( resid 101 and name HE21))
or
(( resid 101 and name HG2 ))
(( resid 101 and name HE22))
or
(( resid 101 and name HG1 ))
(( resid 101 and name HE22))
assi
(( resid 102 and name HN ))
(( resid 102 and name HB2 ))
2.555 0.755 0.755
or
(( resid 102 and name HN ))
(( resid 102 and name HB1 ))
assi
(( resid 102 and name HN ))
(( resid 102 and name HG2 ))
3.010 1.210 1.210
or
(( resid 102 and name HN ))
(( resid 102 and name HG1 ))
assi
(( resid 102 and name HA ))
(( resid 105 and name HB2 ))
2.840 1.040 1.040
or
(( resid 102 and name HA ))
(( resid 105 and name HB1 ))
assi
(( resid 102 and name HB2 ))
(( resid 103 and name HN ))
2.445 0.645 0.645
or
(( resid 102 and name HB1 ))
(( resid 103 and name HN ))
assi
(( resid 103 and name HN ))
(( resid 103 and name HB2 ))
2.685 0.885 0.885
or
(( resid 103 and name HN ))
(( resid 103 and name HB1 ))
assi
(( resid 103 and name HN ))
( resid 103 and name HD1#)
2.715 0.915 0.915
or
(( resid 103 and name HN ))
( resid 103 and name HD2#)
assi
(( resid 103 and name HA ))
( resid 103 and name HD1#)
2.535 0.735 0.735
or
(( resid 103 and name HA ))
( resid 103 and name HD2#)
assi
(( resid 103 and name HA ))
(( resid 106 and name HB2 ))
3.045 1.245 1.245
or
(( resid 103 and name HA ))
(( resid 106 and name HB1 ))
assi
(( resid 103 and name HB2 ))
(( resid 104 and name HN ))
2.775 0.975 0.975
or
(( resid 103 and name HB1 ))
(( resid 104 and name HN ))
assi
(( resid 104 and name HN ))
(( resid 104 and name HG2 ))
2.775 0.975 0.975
or
(( resid 104 and name HN ))
(( resid 104 and name HG1 ))
assi
(( resid 104 and name HB2 ))
(( resid 105 and name HN ))
2.890 1.090 1.090
or
(( resid 104 and name HB1 ))
(( resid 105 and name HN ))
assi
(( resid 104 and name HB2 ))
( resid 107 and name HG2#)
2.825 1.025 1.025
or
(( resid 104 and name HB1 ))
( resid 107 and name HG2#)
assi
(( resid 104 and name HG2 ))
(( resid 105 and name HN ))
2.875 1.075 1.075
or
(( resid 104 and name HG1 ))
(( resid 105 and name HN ))
assi
(( resid 105 and name HN ))
(( resid 105 and name HB2 ))
2.495 0.695 0.695
or
(( resid 105 and name HN ))
(( resid 105 and name HB1 ))
assi
(( resid 105 and name HB2 ))
(( resid 106 and name HN ))
2.585 0.785 0.785
or
(( resid 105 and name HB1 ))
(( resid 106 and name HN ))
assi
(( resid 106 and name HN ))
(( resid 106 and name HB2 ))
2.515 0.715 0.715
or
(( resid 106 and name HN ))
(( resid 106 and name HB1 ))
assi
(( resid 106 and name HA ))
(( resid 106 and name HG2 ))
2.680 0.880 0.880
or
(( resid 106 and name HA ))
(( resid 106 and name HG1 ))
assi
(( resid 106 and name HA ))
(( resid 109 and name HB2 ))
2.830 1.030 1.030
or
(( resid 106 and name HA ))
(( resid 109 and name HB1 ))
assi
(( resid 106 and name HA ))
(( resid 109 and name HD21))
3.195 1.395 1.395
or
(( resid 106 and name HA ))
(( resid 109 and name HD22))
assi
(( resid 106 and name HB2 ))
(( resid 106 and name HE22))
2.875 1.075 1.075
or
(( resid 106 and name HB1 ))
(( resid 106 and name HE22))
or
(( resid 106 and name HB2 ))
(( resid 106 and name HE21))
or
(( resid 106 and name HB1 ))
(( resid 106 and name HE21))
assi
(( resid 106 and name HB2 ))
(( resid 107 and name HN ))
2.590 0.790 0.790
or
(( resid 106 and name HB1 ))
(( resid 107 and name HN ))
assi
(( resid 107 and name HA ))
( resid 110 and name HD1#)
3.210 1.410 1.410
or
(( resid 107 and name HA ))
( resid 110 and name HD2#)
assi
(( resid 107 and name HB ))
( resid 110 and name HD1#)
3.620 1.820 1.820
or
(( resid 107 and name HB ))
( resid 110 and name HD2#)
assi
( resid 107 and name HG2#)
( resid 110 and name HD1#)
5.00 5.00 0.000
!
! too tight ??
!
assi
( resid 107 and name HG2#)
(( resid 111 and name HB1 ))
2.735 0.935 0.935
or
( resid 107 and name HG2#)
(( resid 111 and name HB2 ))
assi
( resid 107 and name HG2#)
(( resid 111 and name HG2 ))
4.600 4.600 0.000
or
( resid 107 and name HG2#)
(( resid 111 and name HG1 ))
!
! too tight
!
assi
(( resid 107 and name HG11))
( resid 110 and name HD1#)
3.095 1.295 1.295
or
(( resid 107 and name HG11))
( resid 110 and name HD2#)
assi
(( resid 107 and name HG11))
(( resid 111 and name HG2 ))
2.855 1.055 1.055
or
(( resid 107 and name HG11))
(( resid 111 and name HG1 ))
assi
( resid 107 and name HD1#)
( resid 110 and name HD1#)
2.765 0.965 0.965
or
( resid 107 and name HD1#)
( resid 110 and name HD2#)
assi
(( resid 108 and name HN ))
(( resid 108 and name HB2 ))
2.740 0.940 0.940
or
(( resid 108 and name HN ))
(( resid 108 and name HB1 ))
assi
(( resid 108 and name HA ))
(( resid 111 and name HB1 ))
3.005 1.205 1.205
or
(( resid 108 and name HA ))
(( resid 111 and name HB2 ))
assi
(( resid 108 and name HB2 ))
(( resid 109 and name HN ))
2.850 1.050 1.050
or
(( resid 108 and name HB1 ))
(( resid 109 and name HN ))
assi
(( resid 109 and name HN ))
(( resid 109 and name HB2 ))
2.655 0.855 0.855
or
(( resid 109 and name HN ))
(( resid 109 and name HB1 ))
assi
(( resid 109 and name HB2 ))
(( resid 109 and name HD21))
2.485 0.685 0.685
or
(( resid 109 and name HB1 ))
(( resid 109 and name HD21))
or
(( resid 109 and name HB2 ))
(( resid 109 and name HD22))
or
(( resid 109 and name HB1 ))
(( resid 109 and name HD22))
assi
(( resid 109 and name HB2 ))
(( resid 110 and name HN ))
2.755 0.955 0.955
or
(( resid 109 and name HB1 ))
(( resid 110 and name HN ))
assi
(( resid 110 and name HN ))
(( resid 110 and name HB2 ))
2.460 0.660 0.660
or
(( resid 110 and name HN ))
(( resid 110 and name HB1 ))
assi
(( resid 110 and name HN ))
( resid 110 and name HD1#)
2.915 1.115 1.115
or
(( resid 110 and name HN ))
( resid 110 and name HD2#)
assi
(( resid 110 and name HA ))
( resid 110 and name HD1#)
2.775 0.975 0.975
or
(( resid 110 and name HA ))
( resid 110 and name HD2#)
assi
(( resid 110 and name HB2 ))
(( resid 111 and name HN ))
2.790 0.990 0.990
or
(( resid 110 and name HB1 ))
(( resid 111 and name HN ))
assi
( resid 110 and name HD1#)
(( resid 111 and name HN ))
3.130 1.330 1.330
or
( resid 110 and name HD2#)
(( resid 111 and name HN ))
assi
( resid 110 and name HD1#)
(( resid 111 and name HA ))
3.115 1.315 1.315
or
( resid 110 and name HD2#)
(( resid 111 and name HA ))
assi
(( resid 111 and name HB1 ))
( resid 111 and name HE# )
2.375 0.575 0.575
or
(( resid 111 and name HB2 ))
( resid 111 and name HE# )
assi
(( resid 111 and name HB1 ))
(( resid 112 and name HN ))
2.850 1.050 1.050
or
(( resid 111 and name HB2 ))
(( resid 112 and name HN ))
assi
(( resid 112 and name HB2 ))
(( resid 113 and name HN ))
2.700 0.900 0.900
or
(( resid 112 and name HB1 ))
(( resid 113 and name HN ))
assi
(( resid 113 and name HB1 ))
(( resid 114 and name HB2 ))
3.325 1.525 1.525
or
(( resid 113 and name HB1 ))
(( resid 114 and name HB1 ))
assi
( resid 113 and name HD# )
(( resid 114 and name HB2 ))
3.050 1.250 1.250
or
( resid 113 and name HD# )
(( resid 114 and name HB1 ))
assi
( resid 113 and name HE# )
(( resid 114 and name HB2 ))
2.960 1.160 1.160
or
( resid 113 and name HE# )
(( resid 114 and name HB1 ))
assi
(( resid 114 and name HB2 ))
(( resid 115 and name HN ))
2.860 1.060 1.060
or
(( resid 114 and name HB1 ))
(( resid 115 and name HN ))
assi
(( resid 114 and name HB2 ))
(( resid 115 and name HA ))
3.550 1.750 1.750
or
(( resid 114 and name HB1 ))
(( resid 115 and name HA ))
assi
(( resid 116 and name HN ))
(( resid 116 and name HB2 ))
2.620 0.820 0.820
or
(( resid 116 and name HN ))
(( resid 116 and name HB1 ))
assi
(( resid 116 and name HB2 ))
(( resid 117 and name HN ))
2.810 1.010 1.010
or
(( resid 116 and name HB1 ))
(( resid 117 and name HN ))
assi
( resid 116 and name HE# )
( resid 120 and name HD1#)
2.865 1.065 1.065
or
( resid 116 and name HE# )
( resid 120 and name HD2#)
assi
(( resid 117 and name HN ))
(( resid 117 and name HB1 ))
2.580 0.780 0.780
or
(( resid 117 and name HN ))
(( resid 117 and name HB2 ))
assi
(( resid 117 and name HA ))
( resid 120 and name HD1#)
2.855 1.055 1.055
or
(( resid 117 and name HA ))
( resid 120 and name HD2#)
assi
(( resid 117 and name HB1 ))
(( resid 118 and name HN ))
2.820 1.020 1.020
or
(( resid 117 and name HB2 ))
(( resid 118 and name HN ))
assi
(( resid 118 and name HN ))
(( resid 121 and name HB2 ))
2.895 1.095 1.095
or
(( resid 118 and name HN ))
(( resid 121 and name HB1 ))
assi
(( resid 118 and name HA ))
(( resid 121 and name HB2 ))
2.900 1.100 1.100
or
(( resid 118 and name HA ))
(( resid 121 and name HB1 ))
assi
(( resid 118 and name HB2 ))
(( resid 119 and name HN ))
3.075 1.275 1.275
or
(( resid 118 and name HB1 ))
(( resid 119 and name HN ))
assi
(( resid 119 and name HN ))
(( resid 119 and name HB1 ))
2.690 0.890 0.890
or
(( resid 119 and name HN ))
(( resid 119 and name HB2 ))
assi
(( resid 119 and name HB1 ))
(( resid 120 and name HN ))
3.080 1.280 1.280
or
(( resid 119 and name HB2 ))
(( resid 120 and name HN ))
assi
( resid 119 and name HE# )
( resid 120 and name HD1#)
3.095 1.295 1.295
or
( resid 119 and name HE# )
( resid 120 and name HD2#)
assi
(( resid 120 and name HN ))
(( resid 120 and name HB2 ))
2.730 0.930 0.930
or
(( resid 120 and name HN ))
(( resid 120 and name HB1 ))
assi
(( resid 120 and name HN ))
( resid 120 and name HD1#)
2.845 1.045 1.045
or
(( resid 120 and name HN ))
( resid 120 and name HD2#)
assi
(( resid 120 and name HA ))
( resid 120 and name HD1#)
2.795 0.995 0.995
or
(( resid 120 and name HA ))
( resid 120 and name HD2#)
assi
(( resid 120 and name HB2 ))
(( resid 121 and name HN ))
2.780 0.980 0.980
or
(( resid 120 and name HB1 ))
(( resid 121 and name HN ))
assi
( resid 120 and name HD1#)
(( resid 125 and name HZ ))
2.990 1.190 1.190
or
( resid 120 and name HD2#)
(( resid 125 and name HZ ))
assi
(( resid 121 and name HN ))
(( resid 121 and name HB2 ))
2.585 0.785 0.785
or
(( resid 121 and name HN ))
(( resid 121 and name HB1 ))
assi
(( resid 121 and name HA ))
(( resid 121 and name HE2 ))
2.950 1.150 1.150
or
(( resid 121 and name HA ))
(( resid 121 and name HE1 ))
assi
(( resid 121 and name HB2 ))
(( resid 121 and name HE2 ))
2.800 1.000 1.000
or
(( resid 121 and name HB1 ))
(( resid 121 and name HE2 ))
or
(( resid 121 and name HB2 ))
(( resid 121 and name HE1 ))
or
(( resid 121 and name HB1 ))
(( resid 121 and name HE1 ))
assi
(( resid 121 and name HB2 ))
(( resid 122 and name HN ))
2.465 0.665 0.665
or
(( resid 121 and name HB1 ))
(( resid 122 and name HN ))
assi
(( resid 121 and name HE2 ))
(( resid 122 and name HN ))
2.990 1.190 1.190
or
(( resid 121 and name HE1 ))
(( resid 122 and name HN ))
assi
(( resid 124 and name HN ))
( resid 124 and name HD1#)
3.145 1.345 1.345
or
(( resid 124 and name HN ))
( resid 124 and name HD2#)
assi
(( resid 124 and name HA ))
( resid 124 and name HD1#)
2.465 0.665 0.665
or
(( resid 124 and name HA ))
( resid 124 and name HD2#)
assi
(( resid 124 and name HA ))
(( resid 126 and name HB1 ))
2.930 1.130 1.130
or
(( resid 124 and name HA ))
(( resid 126 and name HB2 ))
assi
(( resid 124 and name HA ))
( resid 126 and name HD1#)
2.880 1.080 1.080
or
(( resid 124 and name HA ))
( resid 126 and name HD2#)
assi
(( resid 124 and name HA ))
(( resid 129 and name HB1 ))
2.580 0.780 0.780
or
(( resid 124 and name HA ))
(( resid 129 and name HB2 ))
assi
(( resid 124 and name HA ))
(( resid 130 and name HB1 ))
2.515 0.715 0.715
or
(( resid 124 and name HA ))
(( resid 130 and name HB2 ))
assi
(( resid 124 and name HB1 ))
(( resid 129 and name HB1 ))
2.875 1.075 1.075
or
(( resid 124 and name HB2 ))
(( resid 129 and name HB1 ))
or
(( resid 124 and name HB1 ))
(( resid 129 and name HB2 ))
or
(( resid 124 and name HB2 ))
(( resid 129 and name HB2 ))
assi
( resid 125 and name HD# )
( resid 126 and name HD1#)
2.855 1.055 1.055
or
( resid 125 and name HD# )
( resid 126 and name HD2#)
assi
(( resid 126 and name HA ))
( resid 126 and name HD1#)
2.640 0.840 0.840
or
(( resid 126 and name HA ))
( resid 126 and name HD2#)
assi
(( resid 126 and name HB1 ))
(( resid 127 and name HN ))
2.770 0.970 0.970
or
(( resid 126 and name HB2 ))
(( resid 127 and name HN ))
assi
(( resid 127 and name HN ))
(( resid 127 and name HB1 ))
2.510 0.710 0.710
or
(( resid 127 and name HN ))
(( resid 127 and name HB2 ))
assi
(( resid 127 and name HA ))
(( resid 127 and name HD2 ))
3.030 1.230 1.230
or
(( resid 127 and name HA ))
(( resid 127 and name HD1 ))
assi
(( resid 127 and name HB1 ))
(( resid 128 and name HA ))
3.075 1.275 1.275
or
(( resid 127 and name HB2 ))
(( resid 128 and name HA ))
assi
(( resid 130 and name HA ))
(( resid 130 and name HG2 ))
2.725 0.925 0.925
or
(( resid 130 and name HA ))
(( resid 130 and name HG1 ))
assi
(( resid 130 and name HA ))
(( resid 130 and name HD2 ))
3.025 1.225 1.225
or
(( resid 130 and name HA ))
(( resid 130 and name HD1 ))
assi
(( resid 130 and name HB1 ))
(( resid 131 and name HA ))
3.555 1.755 1.755
or
(( resid 130 and name HB2 ))
(( resid 131 and name HA ))
assi
(( resid 35 and name HN ))
(( resid 37 and name HN ))
4.555 2.755 2.755
assi
(( resid 8 and name HB ))
(( resid 125 and name HZ ))
3.555 3.555 0.000
!
! added after late assignment of Met 59 HE#
!
assi
(( resid 97 and name HG2 ))
(( resid 59 and name HE# ))
5.00 5.00 0.00
or
(( resid 97 and name HG1 ))
(( resid 59 and name HE# ))
assi
(( resid 97 and name HD2 ))
(( resid 59 and name HE# ))
5.00 5.00 0.00
or
(( resid 97 and name HD1 ))
(( resid 59 and name HE# ))
assi
(( resid 96 and name HA ))
(( resid 59 and name HE# ))
5.00 5.00 0.00
assi
(( resid 56 and name HA ))
(( resid 59 and name HE# ))
5.00 5.00 0.00
!
! added based on corrected assignments of 44
!
assi
(( resid 44 and name HH2 ))
(( resid 48 and name HG1 ))
4.00 4.00 0.00
or
(( resid 44 and name HH2 ))
(( resid 48 and name HG2 ))
!
! added after late assignment of Met 53 HE#
!
assi
(( resid 62 and name HE2 ))
(( resid 53 and name HE# ))
4.50 4.00 0.00
or
(( resid 62 and name HE1 ))
(( resid 53 and name HE# ))
assi
(( resid 62 and name HB2 ))
(( resid 53 and name HE# ))
5.50 5.00 0.00
or
(( resid 62 and name HB1 ))
(( resid 53 and name HE# ))
assi
(( resid 49 and name HB2 ))
(( resid 53 and name HE# ))
5.50 4.00 0.00
or
(( resid 49 and name HB1 ))
(( resid 53 and name HE# ))
assi
(( resid 50 and name HA ))
(( resid 53 and name HE# ))
5.00 5.00 0.00
assi
(( resid 50 and name HA ))
(( resid 53 and name HG1 ))
5.00 5.00 0.00
or
(( resid 50 and name HA ))
(( resid 53 and name HG2 ))
!
!
!
assi
(( resid 100 and name HD* ))
(( resid 1033 and name HD1* ))
4.50 4.50 0.00
or
(( resid 100 and name HD* ))
(( resid 103 and name HD2* ))
assi
(( resid 100 and name HB1 ))
(( resid 1033 and name HD1* ))
4.50 4.50 0.00
or
(( resid 100 and name HB1 ))
(( resid 103 and name HD2* ))
or
(( resid 100 and name HB2 ))
(( resid 103 and name HD1* ))
or
(( resid 100 and name HB2 ))
(( resid 103 and name HD2* ))
Contact the webmaster for help, if required. Wednesday, May 15, 2024 10:25:02 PM GMT (wattos1)