NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.6720 8.3027 120.3944 55.8528 31.3050 173.6339 1 M 3.9891 8.8266 125.1798 57.3018 32.0880 177.2963 2 S 4.3418 8.3662 115.6491 60.9088 63.7236 175.6786 3 Q 3.9857 8.0293 123.0300 58.9017 28.9019 178.0798 4 S 4.2117 8.1045 114.9098 61.2203 63.1220 176.2280 5 N 4.4027 8.5387 120.5130 56.2075 38.3053 177.0013 6 R 3.9400 7.9554 119.9119 59.7548 30.0150 178.3920 7 E 3.9401 8.2642 118.1335 59.2488 29.3674 179.2522 8 L 3.8146 8.0182 119.1304 57.6778 41.5695 179.6296 9 V 3.8814 7.9783 118.0192 66.2609 31.4572 178.1845 10 V 2.9311 7.7980 117.8606 65.7058 31.2102 177.4084 11 D 4.2305 8.2458 117.9325 57.3193 41.0072 178.0782 12 F 3.9435 8.4103 121.1374 61.1691 39.4560 176.9580 13 L 4.1590 8.3801 118.7917 58.1328 41.4343 179.6346 14 S 4.4305 8.2810 115.1629 61.8657 62.6910 176.2697 15 Y 3.8912 8.1953 122.2010 60.4692 38.5610 177.9536 16 K 3.6909 8.2468 120.8151 59.4752 32.3206 178.6858 17 L 4.1184 8.4422 119.6723 57.8202 41.5826 179.4465 18 S 4.3324 8.3928 113.1148 61.6009 62.1498 175.6293 19 Q 3.8063 7.6566 121.0245 59.2078 28.7421 178.2475 20 K 4.4608 7.8632 115.6624 56.3854 32.4110 177.5291 21 G 3.8563 8.2379 107.9664 45.3978 0.0000 172.8433 22 Y 4.4943 8.0443 116.6645 55.4417 40.5459 175.4356 23 S 3.9021 8.4303 115.9143 57.9143 63.1591 173.6941 24 W 4.8081 7.3028 121.6443 56.2185 28.5203 177.5917 25 S 3.9838 7.4026 116.2135 61.5219 62.2081 175.3500 26 Q 4.0531 7.6295 116.9535 56.7154 28.8567 175.9568 27 F 5.3296 7.6460 118.7252 55.4901 41.3310 172.4654 *82 P 4.1578 0.0000 0.0000 63.6927 32.2965 176.7029 83 M 3.8334 8.9502 123.2323 58.6500 31.8995 178.5046 84 A 3.9120 8.0249 119.6600 55.2263 18.4808 179.4150 85 A 3.9577 7.9146 118.8032 54.9773 18.3586 180.0968 86 V 3.5373 7.6223 116.3033 66.0664 31.6426 178.0657 87 K 3.6496 8.0688 118.5387 59.5003 31.9050 179.0303 88 Q 3.7503 8.0303 119.2472 59.0998 28.9639 177.9550 89 A 4.0335 8.3440 122.2074 55.2952 18.3378 179.4410 90 L 4.0119 8.3009 118.9966 58.1728 42.1250 179.2290 91 R 3.6250 8.0447 118.2815 59.3038 29.8791 178.8739 92 E 4.0146 8.0982 117.9245 59.3995 29.5305 179.2574 93 A 4.3278 8.6572 121.3797 55.3037 18.4558 179.9835 94 G 4.0272 8.7488 104.4095 48.0829 0.0000 175.6364 95 D 4.5542 8.5124 121.3738 57.3015 40.9448 178.5295 96 E 4.0218 8.5810 119.8042 59.3218 29.6168 178.7042 97 F 4.3371 8.4885 120.6015 61.4083 39.6628 177.1146 98 E 3.8011 8.6357 118.3132 59.3203 29.0506 179.3560 99 L 4.0110 8.0934 118.4883 57.5599 41.7246 179.2852 100 R 4.0151 7.8415 117.4589 59.2957 30.3671 178.0234 101 A 3.9949 8.0801 119.2650 52.2077 19.0008 177.2312 102 R 3.6114 7.4265 114.8744 56.9754 28.4910 176.9418 103 R 3.7396 7.3337 115.4645 56.0272 30.4890 177.1585 104 A 4.2554 8.4748 125.1281 52.2913 19.3818 176.7079 105 F 3.9873 7.7505 114.0531 58.1584 37.0158 177.8870 106 S 4.3501 8.0942 117.9182 60.7899 62.9974 174.6019 107 D 4.3169 8.1187 121.3501 57.2668 41.1086 178.0491 108 L 3.9645 7.9284 119.0877 58.0976 41.1928 179.5027 109 T 4.1252 8.5730 110.4026 64.9251 68.4118 176.6053 110 S 4.2976 8.1388 116.3010 61.1525 63.2681 176.1100 111 Q 4.1657 8.0541 120.9915 58.7195 28.5226 178.1286 112 L 3.9610 8.2070 120.4648 56.3948 43.5764 176.9142 113 H 4.1037 8.5183 112.8634 56.1061 27.6056 174.4404 114 I 3.8359 7.4306 121.9289 62.2952 39.0917 174.4655 115 T 4.7950 8.8685 116.1341 59.3819 71.8881 172.8381 116 P 4.4052 0.0000 0.0000 64.3465 31.2231 177.6041 117 G 3.9597 7.8129 106.2326 45.9164 0.0000 174.5847 118 T 3.9823 7.9154 117.7047 63.6438 69.2530 173.8343 119 A 4.7913 8.3114 128.2465 50.7192 21.0024 177.0178 120 Y 2.7267 8.6689 120.8061 60.7452 38.5483 179.0939 121 Q 3.8865 7.9211 117.6735 59.2163 28.6644 178.6837 122 S 3.9876 7.7175 116.6576 61.1370 62.7806 176.0999 123 F 3.9079 7.5694 122.8565 61.2279 38.9434 176.5305 124 E 3.7272 7.7131 118.9485 59.2790 29.1681 178.5248 125 Q 3.8491 7.5893 118.0931 59.1359 29.3946 178.1501 126 V 3.8351 7.4718 120.5477 65.4724 31.5005 178.1460 127 V 3.1287 7.5390 118.3011 65.8620 31.1956 177.4497 128 N 4.5323 8.1765 117.6254 55.8045 38.1796 177.0401 129 E 3.9585 7.9362 119.6595 59.0355 29.2239 179.1696 130 L 3.8815 7.7167 118.6673 56.2780 41.6555 177.7115 131 F 4.9294 7.5419 117.5108 56.9939 39.3710 177.6928 132 R 3.9919 8.0034 118.9430 58.3670 29.4921 176.6916 133 D 4.6806 8.0840 117.5781 53.8193 41.1784 176.9353 134 G 3.7831 8.0071 108.2504 44.6757 0.0000 173.5972 135 V 3.8370 7.4399 117.9042 61.9272 32.2727 174.5544 136 N 3.3086 7.5454 121.5290 49.6912 40.5745 175.0516 137 W 4.6594 8.6336 117.1111 60.0571 29.0233 178.8562 138 G 3.8284 8.4404 105.3083 48.0536 0.0000 175.8337 139 R 3.8348 7.9393 119.9469 58.7269 30.1343 178.8752 140 I 4.0478 7.9397 119.8085 64.6740 37.1408 178.3537 141 V 3.6818 8.2909 118.8304 66.2458 31.2950 177.8751 142 A 3.4848 7.9866 120.2763 54.8731 18.1470 179.3911 143 F 4.0552 8.4394 119.3164 61.4504 39.4836 177.4442 144 F 3.2048 8.3788 117.3866 60.2593 38.5367 177.6655 145 S 4.5324 8.4083 113.0842 61.4110 62.2010 175.8235 146 F 3.9145 8.7270 123.8991 61.2215 38.9626 177.4018 147 G 3.3811 7.9013 105.4344 47.5436 0.0000 175.9915 148 G 3.7723 8.4872 107.9848 47.4908 0.0000 175.6785 149 A 4.0554 8.5055 123.6108 54.9483 18.3383 179.5048 150 L 3.7924 7.8672 119.1135 58.2232 42.0562 178.9978 151 C 4.0002 7.9632 116.7411 62.7095 28.0830 176.1958 152 V 2.8801 7.5644 119.6231 65.8783 31.0893 177.8263 153 E 3.9353 8.4332 118.6267 59.5327 29.2845 179.4000 154 S 4.0929 8.2077 115.3797 61.7413 62.8309 177.1214 155 V 3.6027 7.6649 120.6964 66.1340 31.1112 177.8705 156 D 4.4903 8.1513 117.3317 56.5339 40.6215 177.7918 157 K 4.3682 7.7971 117.2475 54.9038 32.8388 176.1815 158 E 3.8743 8.2581 117.6976 58.3359 28.0525 174.7718 159 M 4.8449 8.2159 112.9677 54.1936 33.1777 177.8322 160 Q 3.9645 7.9367 120.7681 58.8517 29.1119 176.9913 161 V 3.5732 7.7964 119.9389 64.8010 31.1231 177.9965 162 L 3.8734 7.9796 119.0280 56.6387 41.3360 179.3737 163 V 3.4380 7.4514 118.9522 66.0001 31.5489 177.7348 164 S 4.1356 7.7822 112.2314 61.5111 62.1143 176.0033 165 R 3.4922 7.0951 117.9791 59.2352 29.7307 178.5383 166 I 3.1166 7.6648 119.8068 63.9047 37.0341 178.0563 167 A 3.9497 8.0497 121.6688 55.4608 18.1252 179.9600 168 S 4.1030 7.8582 113.1705 61.4800 62.8360 176.8666 169 W 4.5181 8.2086 121.8323 60.2037 28.7320 178.3639 170 M 4.5391 8.6593 118.6070 58.6141 31.3725 178.7178 171 A 4.1394 8.2599 120.7429 55.4476 18.5448 179.6875 172 T 3.7904 8.3247 114.5322 67.0702 68.1085 176.1974 173 Y 4.1653 8.6817 122.8514 60.0188 38.9239 177.6829 174 L 3.8431 8.6992 121.7063 58.3996 42.4126 178.7817 175 N 4.4595 8.4271 116.5224 56.1089 38.1728 176.9835 176 D 4.2192 7.9921 118.6826 57.4023 41.5762 177.3945 177 H 4.4140 7.8905 114.6894 56.5187 29.6121 176.5996 178 L 4.1520 7.2674 119.5856 56.0313 42.7634 177.8988 179 E 3.8908 8.5536 119.5733 58.9314 29.4068 177.1439 180 P 4.1786 0.0000 0.0000 65.3304 31.5176 178.3548 181 W 3.8156 7.9638 126.4852 60.2944 30.7288 177.7136 182 I 3.2964 7.7632 119.7789 64.5734 36.4092 178.3921 183 Q 3.9289 8.3198 118.9557 58.9589 28.3285 178.5568 184 E 3.8792 7.7851 119.0029 58.1593 29.5341 177.5252 185 N 4.6923 7.0752 114.6533 52.7532 39.5609 175.4584 186 G 4.0549 7.0786 107.5387 45.6037 0.0000 175.6355 187 G 3.9144 8.6149 110.1647 44.5173 0.0000 174.5734 188 W 4.4712 8.5935 116.9956 59.6825 28.6502 178.1406 189 D 4.4976 8.4189 118.8432 57.9069 40.1179 178.8130 190 T 3.9703 7.8732 115.5894 66.3985 68.3961 176.4823 191 F 3.1735 7.5653 122.0934 60.9908 39.4693 177.1547 192 V 3.5751 8.0468 117.8222 66.1631 31.0959 177.5461 193 D 4.3493 8.1063 117.8627 57.3246 40.6822 178.3748 194 L 4.0935 7.5165 118.1311 56.3120 42.0347 177.7032 195 Y 4.1951 7.5692 113.6120 56.8439 38.7016 176.0244 196 G 4.0417 8.0042 114.5374 45.7732 0.0000 173.4627 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 0 H 8.30 4.67 0.00 3.20 3.31 0.00 5.65 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.83 3.99 0.00 2.38 2.15 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 3.01 0.00 2 S 8.37 4.34 0.00 4.15 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Q 8.03 3.99 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 4 S 8.10 4.21 0.00 4.10 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 N 8.54 4.40 0.00 3.04 3.09 0.00 0.00 6.53 8.29 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 6 R 7.96 3.94 0.00 2.10 2.05 0.00 3.26 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 7 E 8.26 3.94 0.00 2.24 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 2.31 2.46 0.00 8 L 8.02 3.81 0.00 1.80 1.40 -0.29 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.98 3.88 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.06 0.00 0.00 10 V 7.80 2.93 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 0.73 0.00 0.00 0.68 0.00 0.00 11 D 8.25 4.23 0.00 2.83 2.74 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 12 F 8.41 3.94 0.00 3.18 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.38 4.16 0.00 1.59 1.91 0.94 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.28 4.43 0.00 4.03 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 15 Y 8.20 3.89 0.00 2.95 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.25 3.69 0.00 1.75 1.92 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.55 7.81 17 L 8.44 4.12 0.00 1.95 2.08 1.18 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.39 4.33 0.00 3.48 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 7.66 3.81 0.00 1.50 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.71 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 20 K 7.86 4.46 0.00 2.11 2.11 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.62 1.66 7.81 21 G 8.24 3.86 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 0.00 22 Y 8.04 4.49 0.00 3.12 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 S 8.43 3.90 0.00 3.59 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 W 7.30 4.81 0.00 3.79 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 S 7.40 3.98 0.00 3.60 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.63 4.05 0.00 1.22 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.70 0.00 0.00 0.00 0.00 0.00 2.14 2.11 0.00 27 F 7.65 5.33 0.00 3.29 2.91 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 *82 P 0.00 4.16 0.00 2.31 2.24 0.00 3.50 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.12 0.00 83 M 8.95 3.83 0.00 1.98 2.16 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.56 0.00 84 A 8.02 3.91 1.28 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 0.00 0.00 85 A 7.91 3.96 1.38 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 86 V 7.62 3.54 1.99 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 0.55 0.00 0.00 1.03 0.00 0.00 87 K 8.07 3.65 0.00 1.83 1.86 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.43 7.81 88 Q 8.03 3.75 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 89 A 8.34 4.03 1.51 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 90 L 8.30 4.01 0.00 1.60 1.60 0.17 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.04 3.62 0.00 1.54 0.68 0.00 2.82 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.40 0.00 92 E 8.10 4.01 0.00 2.28 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 93 A 8.66 4.33 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.75 4.03 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 0.00 0.00 0.00 95 D 8.51 4.55 0.00 3.01 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 96 E 8.58 4.02 0.00 2.25 2.28 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 2.40 2.57 0.00 97 F 8.49 4.34 0.00 3.31 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.64 3.80 0.00 2.20 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 0.00 2.56 2.82 0.00 99 L 8.09 4.01 0.00 1.71 1.75 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 100 R 7.84 4.02 0.00 1.85 2.05 0.00 3.29 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 101 A 8.08 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 R 7.43 3.61 0.00 1.84 1.89 0.00 3.11 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 103 R 7.33 3.74 0.00 0.96 0.87 0.00 3.13 0.00 0.00 3.00 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.19 0.00 104 A 8.47 4.26 1.31 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 0.00 0.00 0.00 105 F 7.75 3.99 0.00 3.51 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 0.00 106 S 8.09 4.35 0.00 4.10 4.18 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 0.00 107 D 8.12 4.32 0.00 2.75 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 7.93 3.96 0.00 1.92 1.50 0.78 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 109 T 8.57 4.13 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 110 S 8.14 4.30 0.00 4.12 4.09 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.05 4.17 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 7.02 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 112 L 8.21 3.96 0.00 1.80 1.79 1.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 113 H 8.52 4.10 0.00 3.38 3.57 0.00 5.63 0.00 0.00 0.00 0.00 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.43 3.84 1.99 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.07 0.94 0.00 0.00 115 T 8.87 4.80 4.29 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 1.34 0.00 0.00 116 P 0.00 4.41 0.00 2.07 2.14 0.00 3.69 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 2.02 2.07 0.00 117 G 7.81 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 T 7.92 3.98 4.67 0.00 0.00 0.00 0.00 0.00 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 0.00 119 A 8.31 4.79 1.28 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 0.00 0.00 120 Y 8.67 2.73 0.00 2.78 2.92 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 0.00 121 Q 7.92 3.89 0.00 2.23 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 122 S 7.72 3.99 0.00 3.91 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 7.57 3.91 0.00 2.45 2.30 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.71 3.73 0.00 1.28 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 125 Q 7.59 3.85 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 126 V 7.47 3.84 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 1.00 0.00 0.00 0.92 0.00 0.00 127 V 7.54 3.13 1.12 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 0.41 0.00 0.00 -0.14 0.00 0.00 128 N 8.18 4.53 0.00 2.96 2.88 0.00 0.00 6.69 7.20 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 0.00 129 E 7.94 3.96 0.00 1.99 1.88 0.00 0.00 0.00 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 2.46 0.00 130 L 7.72 3.88 0.00 1.15 0.41 0.78 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 131 F 7.54 4.93 0.00 3.07 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 0.00 132 R 8.00 3.99 0.00 1.88 2.02 0.00 2.94 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 133 D 8.08 4.68 0.00 2.61 2.66 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 0.00 0.00 0.00 0.00 134 G 8.01 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 135 V 7.44 3.84 0.87 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 0.02 0.00 0.00 0.47 0.00 0.00 136 N 7.55 3.31 0.00 2.72 2.58 0.00 0.00 6.21 8.88 0.00 0.00 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 W 8.63 4.66 0.00 3.82 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 G 8.44 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 0.00 139 R 7.94 3.83 0.00 1.93 1.43 0.00 3.05 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 140 I 7.94 4.05 2.33 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.03 1.38 0.00 0.00 141 V 8.29 3.68 2.28 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 1.17 0.00 0.00 1.10 0.00 0.00 142 A 7.99 3.48 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 F 8.44 4.06 0.00 3.34 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.38 3.20 0.00 2.77 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.41 4.53 0.00 4.37 4.45 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.73 3.91 0.00 1.71 2.76 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 0.00 147 G 7.90 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 0.00 148 G 8.49 3.77 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 0.00 0.00 0.00 149 A 8.51 4.06 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.87 3.79 0.00 1.62 1.48 0.58 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 151 C 7.96 4.00 0.00 3.15 2.92 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 0.00 152 V 7.56 2.88 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 0.83 0.00 0.00 0.65 0.00 0.00 153 E 8.43 3.94 0.00 2.02 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 2.35 2.48 0.00 154 S 8.21 4.09 0.00 3.90 4.04 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 0.00 155 V 7.66 3.60 2.13 0.00 0.00 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 0.95 0.00 0.00 156 D 8.15 4.49 0.00 2.86 2.78 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 0.00 0.00 0.00 157 K 7.80 4.37 0.00 1.87 1.83 0.00 1.88 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.63 7.81 158 E 8.26 3.87 0.00 2.08 1.99 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 2.26 2.41 0.00 159 M 8.22 4.84 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.43 0.00 160 Q 7.94 3.96 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 161 V 7.80 3.57 2.02 0.00 0.00 0.00 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 0.85 0.00 0.00 162 L 7.98 3.87 0.00 1.69 1.56 0.90 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 163 V 7.45 3.44 2.15 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 0.83 0.00 0.00 0.86 0.00 0.00 164 S 7.78 4.14 0.00 3.75 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 0.00 165 R 7.10 3.49 0.00 1.58 1.30 0.00 2.71 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.20 0.00 166 I 7.66 3.12 1.82 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.01 0.79 0.00 0.00 167 A 8.05 3.95 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.86 4.10 0.00 3.97 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 0.00 169 W 8.21 4.52 0.00 2.97 2.37 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 0.00 170 M 8.66 4.54 0.00 1.92 2.27 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.32 0.00 171 A 8.26 4.14 1.42 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 0.00 172 T 8.32 3.79 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 0.83 0.00 0.00 173 Y 8.68 4.17 0.00 3.74 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 L 8.70 3.84 0.00 1.97 2.11 1.21 1.03 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 0.00 175 N 8.43 4.46 0.00 2.92 2.84 0.00 0.00 6.74 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 D 7.99 4.22 0.00 2.78 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 H 7.89 4.41 0.00 2.20 2.69 0.00 5.68 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 L 7.27 4.15 0.00 1.61 1.43 0.11 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 179 E 8.55 3.89 0.00 2.17 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 0.00 2.36 2.42 0.00 180 P 0.00 4.18 0.00 2.15 2.04 0.00 3.60 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.09 0.00 181 W 7.96 3.82 0.00 3.22 3.08 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 0.00 0.00 0.00 0.00 182 I 7.76 3.30 1.79 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.35 0.37 0.00 0.00 183 Q 8.32 3.93 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.79 0.00 0.00 0.00 0.00 0.00 2.64 2.44 0.00 184 E 7.79 3.88 0.00 1.84 1.76 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 2.11 2.15 0.00 185 N 7.08 4.69 0.00 1.52 2.30 0.00 0.00 7.28 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 G 7.08 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 0.00 187 G 8.61 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 0.00 188 W 8.59 4.47 0.00 3.46 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 0.00 189 D 8.42 4.50 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 0.00 190 T 7.87 3.97 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 191 F 7.57 3.17 0.00 2.45 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 V 8.05 3.58 2.25 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 0.99 0.00 0.00 1.06 0.00 0.00 193 D 8.11 4.35 0.00 2.77 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 0.00 194 L 7.52 4.09 0.00 1.26 1.30 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 195 Y 7.57 4.20 0.00 2.32 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 0.00 196 G 8.00 4.04 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.