NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 101 M 4.3953 8.3044 120.3488 55.3380 32.2430 173.9988 102 K 4.4405 8.3047 125.9654 53.2660 35.2863 173.4053 103 Q 4.3900 8.6186 123.8948 54.1230 31.5430 174.7779 104 R 4.0934 8.5091 126.5002 55.1927 29.2794 175.2127 105 I 4.0281 8.0740 126.5144 59.7537 37.9362 174.9796 106 T 4.3611 8.3665 123.5573 60.4143 68.1809 174.2960 107 V 4.0060 7.8210 130.3714 59.7015 30.2379 173.7522 108 T 3.8967 7.8481 122.0043 64.9073 69.0647 174.3160 109 V 4.6523 7.7811 131.4137 61.0376 29.7650 176.2634 110 D 5.1674 9.7805 117.4880 54.1427 41.1796 173.5938 111 S 4.5621 7.8010 112.1705 59.9925 64.3207 174.2024 112 D 4.6980 7.7606 118.9689 53.8058 41.4367 177.2984 113 S 4.0676 8.6344 115.4914 61.2103 63.3931 176.2416 114 Y 4.2196 8.4137 121.8311 60.9921 38.1129 177.9118 115 Q 3.6256 7.8149 118.0694 59.4733 27.9238 178.6492 116 L 3.8507 8.0064 122.0868 57.8853 42.0564 179.0998 117 L 4.2463 7.7094 118.6346 57.6467 41.5534 179.2184 118 K 3.9731 7.5845 117.2205 59.2174 32.8306 178.5429 119 A 4.2582 8.8344 121.7478 53.5557 18.4589 177.1399 120 Y 4.6873 7.8032 112.2129 55.5455 39.8798 175.5163 121 D 5.2750 7.1532 130.3812 54.9484 44.3199 179.0076 122 V 3.9055 7.0879 121.3764 61.8031 29.9220 177.3435 123 N 5.0663 7.4370 124.7192 53.2454 39.5312 173.2874 124 I 4.5234 7.4586 112.9555 60.8037 40.4112 178.4784 125 S 4.3636 8.6078 116.5052 61.7538 62.5631 176.9984 126 G 3.4185 8.0956 109.1978 46.9091 0.0000 174.9799 127 L 3.9614 7.9246 122.3236 57.9327 41.8784 178.7109 128 V 4.0257 8.9204 118.7759 66.7129 31.1939 178.3300 129 S 4.2536 7.4846 112.3286 61.0664 62.8558 176.6598 130 T 4.1171 7.6157 118.6393 66.7290 68.3243 176.6564 131 T 3.9188 8.8783 115.9167 65.8184 66.9942 175.7238 132 M 4.1289 7.9889 119.9932 57.6866 31.8476 178.5506 133 Q 4.2694 8.3516 120.6708 59.2943 29.2678 177.5114 134 N 4.0518 8.2438 117.5213 57.0494 38.7535 176.3978 135 E 3.9769 7.9950 119.4860 58.9369 29.3276 178.9430 136 A 3.9904 8.7096 121.2410 55.3021 18.5368 179.6913 137 R 3.9920 8.5122 115.9279 59.6564 30.3613 179.3438 138 R 4.2610 8.0017 116.4536 58.0463 30.4700 175.8253 139 L 4.0673 7.6020 119.2157 54.7786 42.1789 176.4709 140 R 4.2891 7.8167 119.6488 54.1902 31.5874 172.1046 141 A 3.4219 8.4611 124.4516 52.9052 17.0827 177.6003 142 E 3.5634 8.5257 122.5043 58.0072 29.7903 174.6194 143 R 4.6102 8.4548 115.7411 55.7595 30.6266 176.0213 144 W 4.6483 8.1099 127.6730 55.9394 31.8070 173.1370 145 K 4.6265 7.6479 126.6031 56.5102 39.1107 175.8059 146 V 3.9460 7.1113 112.3702 60.8312 35.2221 175.6413 147 E 3.6363 8.5657 126.2273 55.8347 28.6304 171.9102 148 N 5.1205 7.9573 115.5013 51.3047 41.6699 173.9658 149 Q 3.9405 8.6507 118.1032 56.9323 28.8486 176.4693 150 E 4.4224 8.6556 120.9819 55.0873 31.8032 175.5965 151 G 3.9079 8.6713 104.6769 45.8249 0.0000 173.2484 152 M 4.2161 7.8289 119.3870 54.6667 32.3279 176.4894 153 V 4.3905 8.0463 116.5774 59.5981 35.0496 175.4585 154 E 4.2433 8.9894 125.1795 58.5012 30.7844 177.7308 155 V 4.4315 6.8789 115.1766 62.4089 31.4148 176.7043 156 A 4.4893 8.3499 114.1946 50.0534 18.8689 177.1593 157 R 4.2129 8.0858 118.8581 58.1217 30.8548 176.7255 158 F 4.9526 8.4039 121.0185 58.2395 39.8606 175.4318 159 I 4.6786 7.7230 119.3030 59.0018 37.4573 175.0950 160 E 4.1371 8.4590 121.5672 58.7538 30.2995 177.1554 161 M 4.7678 7.4629 116.3069 53.9203 36.2305 173.7466 162 N 4.5267 8.8485 117.1892 54.1432 39.4538 176.5596 163 G 5.0653 7.4674 117.4556 47.3420 0.0000 171.8479 164 S 4.7744 7.1515 113.2561 57.5604 70.0358 173.6682 165 F 4.2060 7.5366 118.1098 57.8210 41.5507 173.8212 166 A 4.4481 7.9981 127.7906 51.0479 16.8907 176.6949 167 D 4.8329 7.8195 121.4249 53.3160 42.4546 174.6602 168 E 4.8934 8.0535 114.0028 55.5248 32.1076 174.7437 169 N 4.8735 8.0248 121.9081 52.6383 41.8947 173.7588 170 K 4.3818 8.4903 121.5434 56.5015 33.5949 173.8069 171 D 4.3789 8.2139 121.3042 55.1266 40.7632 175.9589 172 W 4.4025 8.5258 134.6828 57.2951 31.0111 174.9883 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 101 M 8.30 4.40 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 102 K 8.30 4.44 0.00 1.77 1.62 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 1.55 7.81 103 Q 8.62 4.39 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.86 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 104 R 8.51 4.09 0.00 1.80 1.85 0.00 3.27 0.00 0.00 3.14 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 105 I 8.07 4.03 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.96 0.95 0.00 0.00 106 T 8.37 4.36 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 107 V 7.82 4.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.89 0.00 0.00 108 T 7.85 3.90 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 109 V 7.78 4.65 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.79 0.00 0.00 110 D 9.78 5.17 0.00 2.91 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 S 7.80 4.56 0.00 3.90 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 D 7.76 4.70 0.00 2.78 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.63 4.07 0.00 3.91 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Y 8.41 4.22 0.00 3.09 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 7.81 3.63 0.00 2.21 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.52 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 116 L 8.01 3.85 0.00 1.85 1.61 0.87 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 117 L 7.71 4.25 0.00 1.80 1.68 1.11 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 118 K 7.58 3.97 0.00 1.74 1.46 0.00 1.54 0.00 0.00 1.76 0.00 0.00 3.18 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.30 1.18 7.81 119 A 8.83 4.26 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 7.80 4.69 0.00 2.97 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 D 7.15 5.28 0.00 1.58 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 V 7.09 3.91 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.95 0.00 0.00 123 N 7.44 5.07 0.00 2.58 2.65 0.00 0.00 7.03 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 I 7.46 4.52 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.19 0.93 0.00 0.00 125 S 8.61 4.36 0.00 4.10 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 G 8.10 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 L 7.92 3.96 0.00 1.72 1.90 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 128 V 8.92 4.03 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.04 0.00 0.00 129 S 7.48 4.25 0.00 3.74 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 T 7.62 4.12 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 131 T 8.88 3.92 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 132 M 7.99 4.13 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.59 0.00 133 Q 8.35 4.27 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 134 N 8.24 4.05 0.00 2.88 2.98 0.00 0.00 7.13 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 E 7.99 3.98 0.00 2.23 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.58 0.00 136 A 8.71 3.99 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 R 8.51 3.99 0.00 1.73 2.00 0.00 3.35 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.82 0.00 138 R 8.00 4.26 0.00 1.95 2.02 0.00 3.34 0.00 0.00 3.49 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 139 L 7.60 4.07 0.00 1.76 1.71 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 140 R 7.82 4.29 0.00 1.87 1.86 0.00 3.38 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 141 A 8.46 3.42 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 E 8.53 3.56 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 143 R 8.45 4.61 0.00 1.90 1.95 0.00 3.24 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 144 W 8.11 4.65 0.00 3.32 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 K 7.65 4.63 0.00 1.67 1.58 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.51 7.81 146 V 7.11 3.95 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.86 0.00 0.00 147 E 8.57 3.64 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.30 0.00 148 N 7.96 5.12 0.00 2.63 2.72 0.00 0.00 6.80 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Q 8.65 3.94 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 150 E 8.66 4.42 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.26 0.00 151 G 8.67 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 M 7.83 4.22 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 153 V 8.05 4.39 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.90 0.00 0.00 154 E 8.99 4.24 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 155 V 6.88 4.43 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.93 0.00 0.00 156 A 8.35 4.49 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 R 8.09 4.21 0.00 1.80 1.91 0.00 3.36 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 158 F 8.40 4.95 0.00 2.96 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 I 7.72 4.68 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.09 1.00 0.00 0.00 160 E 8.46 4.14 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 161 M 7.46 4.77 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 162 N 8.85 4.53 0.00 2.64 2.82 0.00 0.00 6.74 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 G 7.47 5.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 S 7.15 4.77 0.00 3.86 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 F 7.54 4.21 0.00 2.94 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 A 8.00 4.45 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 D 7.82 4.83 0.00 2.70 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 E 8.05 4.89 0.00 1.95 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 169 N 8.02 4.87 0.00 2.66 2.61 0.00 0.00 6.90 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 K 8.49 4.38 0.00 2.09 1.90 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.23 1.39 7.81 171 D 8.21 4.38 0.00 2.62 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 W 8.53 4.40 0.00 3.62 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00