NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 97 S 4.5428 8.3193 117.1179 57.9784 64.0724 172.5433 98 L 4.5825 8.0163 118.9963 54.4941 41.6029 174.4770 99 C 3.7823 8.5560 120.9271 60.3705 32.7452 176.8737 100 G 3.8412 8.0068 107.6742 44.9520 0.0000 173.3889 101 R 3.8960 7.2398 120.7743 56.9697 31.0506 175.4532 102 V 4.2192 8.1268 125.9342 61.4784 32.5441 175.4357 103 F 4.7399 8.4449 126.6870 57.5438 40.2693 174.6185 104 K 4.6703 9.8126 122.8686 54.6732 34.2095 176.4424 105 V 3.5911 8.3966 122.5574 65.2766 31.4054 176.4500 106 G 3.9297 9.0489 116.4811 44.8495 0.0000 172.8131 107 E 4.1771 8.3730 122.5026 55.3144 30.8160 174.3045 108 P 4.6869 0.0000 0.0000 62.7687 32.1799 175.7129 109 T 4.6086 8.6440 114.1109 59.8992 71.9862 172.4101 110 Y 5.0480 9.2018 120.5135 56.2589 41.5595 174.4922 111 S 5.2283 9.2831 118.4634 56.6676 66.1354 171.9699 112 C 5.2371 9.1263 127.1218 58.0809 32.2794 174.5204 113 R 4.1850 8.9322 126.5069 58.8635 30.1102 178.0669 114 D 4.5763 8.3523 117.2706 56.6595 41.3108 176.8775 115 C 4.6862 8.1465 114.4296 59.8478 29.8109 173.5998 116 A 4.1463 8.0391 123.6829 51.8325 18.3774 177.8719 117 V 3.7142 8.0396 123.6977 65.2446 32.0587 175.5533 118 D 4.7919 7.3237 116.8571 50.8294 42.2948 174.1411 119 P 4.3385 0.0000 0.0000 65.0684 31.3368 177.8991 120 T 4.0722 7.9912 107.4163 63.1363 69.1803 174.5717 121 C 4.4251 7.7939 121.6436 59.7732 28.4149 173.6248 122 V 5.0524 10.3224 124.3970 60.1424 34.9739 174.2287 123 L 5.5204 10.0809 123.8117 53.0549 45.2551 176.3587 124 C 5.2434 8.9006 117.1054 57.8259 31.2583 174.4137 125 M 3.8335 9.0268 118.5814 58.9887 31.5791 177.7270 126 E 3.9953 8.1636 117.3279 59.1819 30.2496 178.1436 127 C 4.2661 8.0326 116.6241 62.6121 28.0149 175.2774 128 F 4.0232 8.2472 122.3059 61.3758 38.6566 177.0346 129 L 3.6283 7.7576 116.3386 56.3092 41.8539 177.8239 130 G 3.9469 7.7055 107.3748 44.8478 0.0000 172.8953 131 S 4.8388 6.9942 113.4937 55.3659 65.9456 174.1172 132 I 3.6582 7.7007 112.4510 63.3745 37.6261 177.5363 133 H 4.1389 7.5776 118.3775 57.5786 28.7064 176.9990 134 R 3.3433 7.2320 114.3960 57.3367 29.3258 176.6140 135 D 4.8270 7.4639 117.8661 54.3770 41.1750 175.1655 136 H 5.0048 8.0564 119.3223 54.1186 31.5854 174.6877 137 R 4.3690 8.8900 121.2346 57.5139 29.8159 173.8273 138 Y 5.4456 8.3771 121.8834 54.4289 42.0431 174.5313 139 R 4.5010 9.3681 118.8674 54.9346 33.9158 172.9549 140 M 4.7482 8.5903 125.8693 53.9949 33.8837 174.8349 141 T 4.6602 8.1578 115.3027 59.8457 72.9666 173.1329 142 T 4.3578 8.2305 119.7278 63.3414 69.2947 174.5544 143 S 4.0710 9.0342 122.2991 58.1054 63.4337 174.8103 144 G 3.7234 8.6890 114.1597 45.7669 0.0000 174.5632 145 G 3.8255 7.9120 106.5720 46.7724 0.0000 174.8091 146 G 3.5082 8.4062 109.5012 44.9787 0.0000 173.6701 147 G 3.8400 8.0952 107.8667 44.6237 0.0000 172.2831 148 F 4.8610 8.1959 115.3315 55.2398 43.0356 174.4317 149 C 4.5171 8.3660 123.5730 59.9609 31.7002 173.5996 150 D 4.8371 9.5694 126.9781 54.4121 40.7068 175.4760 151 C 4.2669 8.0451 121.7196 60.8735 31.7588 173.6846 152 G 3.3848 8.7683 116.5897 45.4035 0.0000 172.8139 153 D 4.4523 7.8723 119.3911 53.8265 40.0639 176.7090 154 T 3.9817 8.5226 121.0319 64.9628 69.1369 176.7417 155 E 3.9283 8.1718 115.8481 56.8487 30.2202 180.9299 156 A 4.1881 7.7571 119.4660 53.0380 19.5554 176.9664 157 W 5.6387 7.2914 114.8882 54.6717 32.4878 175.9953 158 K 4.2310 9.6144 125.1885 59.7207 31.8454 177.7297 159 E 4.7091 8.1542 111.8784 54.9601 33.9182 177.7504 160 G 4.0454 8.7824 105.5373 46.9739 0.0000 173.0368 161 P 4.0723 0.0000 0.0000 64.3924 32.3422 176.2113 162 Y 4.9182 7.2977 116.1243 56.2187 41.2011 174.5714 163 C 4.6872 8.2761 116.9469 56.1440 32.0308 174.5305 164 Q 3.8877 8.8184 120.8472 59.7115 27.9803 179.0079 165 K 4.1231 7.9218 118.7806 56.4199 32.0708 180.2670 166 H 4.9610 7.9245 112.7394 56.1697 30.4209 174.3480 167 E 3.6678 8.3058 122.1718 56.3593 29.2330 176.6167 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 97 S 8.32 4.54 0.00 3.65 3.74 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 98 L 8.02 4.58 0.00 1.94 1.67 0.85 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 99 C 8.56 3.78 0.00 2.82 2.87 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 0.00 100 G 8.01 3.84 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 0.00 101 R 7.24 3.90 0.00 1.91 1.66 0.00 2.97 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.54 0.00 102 V 8.13 4.22 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 0.90 0.00 0.00 0.96 0.00 0.00 103 F 8.44 4.74 0.00 3.26 2.84 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 0.00 104 K 9.81 4.67 0.00 1.93 1.75 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.41 7.81 105 V 8.40 3.59 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 0.76 0.00 0.00 0.93 0.00 0.00 106 G 9.05 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.37 4.18 0.00 2.31 1.92 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 2.51 2.41 0.00 108 P 0.00 4.69 0.00 1.98 1.77 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 109 T 8.64 4.61 3.87 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 -0.11 0.00 0.00 110 Y 9.20 5.05 0.00 2.88 2.32 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 9.28 5.23 0.00 3.92 3.74 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 C 9.13 5.24 0.00 3.25 3.07 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 0.00 113 R 8.93 4.18 0.00 1.93 2.03 0.00 3.22 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 114 D 8.35 4.58 0.00 2.68 2.73 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 C 8.15 4.69 0.00 3.30 3.35 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 0.00 0.00 0.00 0.00 116 A 8.04 4.15 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 0.00 117 V 8.04 3.71 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 0.75 0.00 0.00 0.95 0.00 0.00 118 D 7.32 4.79 0.00 2.75 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 0.00 119 P 0.00 4.34 0.00 2.03 2.13 0.00 3.63 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 120 T 7.99 4.07 4.23 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 1.21 0.00 0.00 121 C 7.79 4.43 0.00 2.43 1.65 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 0.00 122 V 10.32 5.05 2.32 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 1.34 0.00 0.00 0.96 0.00 0.00 123 L 10.08 5.52 0.00 1.69 1.77 0.68 0.83 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 0.00 124 C 8.90 5.24 0.00 3.36 3.18 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 0.00 125 M 9.03 3.83 0.00 2.23 2.38 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.63 0.00 126 E 8.16 4.00 0.00 2.02 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 2.29 2.39 0.00 127 C 8.03 4.27 0.00 3.09 2.99 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 0.00 128 F 8.25 4.02 0.00 2.90 2.75 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 0.00 129 L 7.76 3.63 0.00 1.58 1.56 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 130 G 7.71 3.95 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 0.00 131 S 6.99 4.84 0.00 3.74 3.83 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 0.00 132 I 7.70 3.66 1.67 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.48 0.79 0.00 0.00 133 H 7.58 4.14 0.00 3.13 3.42 0.00 5.62 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 R 7.23 3.34 0.00 1.16 0.83 0.00 2.52 0.00 0.00 2.96 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.35 0.00 135 D 7.46 4.83 0.00 2.66 2.68 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 0.00 136 H 8.06 5.00 0.00 3.44 3.67 0.00 5.68 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 R 8.89 4.37 0.00 1.52 1.85 0.00 3.21 0.00 0.00 3.22 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.45 0.00 138 Y 8.38 5.45 0.00 3.26 3.21 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 0.00 139 R 9.37 4.50 0.00 1.78 1.75 0.00 3.00 0.00 0.00 3.04 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 140 M 8.59 4.75 0.00 1.89 1.67 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 1.95 1.77 0.00 141 T 8.16 4.66 4.12 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 1.11 0.00 0.00 142 T 8.23 4.36 4.15 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 0.00 143 S 9.03 4.07 0.00 3.38 3.76 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 0.00 144 G 8.69 3.72 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 0.00 145 G 7.91 3.83 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 0.00 146 G 8.41 3.51 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 0.00 147 G 8.10 3.84 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 0.00 148 F 8.20 4.86 0.00 3.02 2.87 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 0.00 149 C 8.37 4.52 0.00 2.74 2.77 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 0.00 150 D 9.57 4.84 0.00 3.24 2.81 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 0.00 151 C 8.05 4.27 0.00 3.00 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 0.00 152 G 8.77 3.38 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 0.00 153 D 7.87 4.45 0.00 2.65 2.77 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 0.00 154 T 8.52 3.98 4.31 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 1.30 0.00 0.00 155 E 8.17 3.93 0.00 2.05 1.89 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 2.25 2.12 0.00 156 A 7.76 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 W 7.29 5.64 0.00 3.17 3.25 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 0.00 158 K 9.61 4.23 0.00 1.81 1.94 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.65 7.81 159 E 8.15 4.71 0.00 1.93 1.65 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 2.13 1.87 0.00 160 G 8.78 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 P 0.00 4.07 0.00 1.93 2.41 0.00 3.76 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.13 0.00 162 Y 7.30 4.92 0.00 2.73 2.93 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 0.00 0.00 0.00 163 C 8.28 4.69 0.00 3.13 3.07 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 0.00 164 Q 8.82 3.89 0.00 2.07 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 7.06 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 165 K 7.92 4.12 0.00 1.80 1.76 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.03 7.81 166 H 7.92 4.96 0.00 3.27 3.74 0.00 5.69 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 E 8.31 3.67 0.00 1.89 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 0.00 2.41 2.18 0.00