NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 E 4.2274 8.4331 120.2348 55.6682 31.3966 176.0764 6 G 4.6302 8.5711 108.2784 43.6935 0.0000 171.8501 7 A 4.6780 7.5358 122.1183 49.8934 22.5697 174.1292 8 V 4.0669 8.1476 120.7352 62.7145 32.6267 175.4121 9 I 4.3444 8.9568 129.5516 59.6235 38.5659 174.8402 10 A 4.4414 8.5810 130.2421 51.8558 19.0244 176.3410 11 C 4.6283 8.6633 121.9594 59.0782 28.3809 173.8551 12 H 4.8787 9.7357 121.5474 55.8158 29.3406 176.3072 13 T 4.7936 7.4647 109.4132 58.7504 73.0570 174.3698 14 K 4.0002 8.6259 122.6158 59.8454 32.1409 178.7634 15 Q 4.0014 8.1251 119.3112 59.0901 29.0215 177.7135 16 E 3.9251 8.4538 120.3748 59.2565 29.6551 178.2262 17 F 4.1038 8.3568 120.6118 61.7434 39.4098 176.7743 18 D 4.2640 8.6476 118.5273 57.6295 40.5535 179.0076 19 T 3.7918 8.1120 116.2749 67.1205 68.4125 176.4922 20 H 4.1334 8.0369 117.9756 58.8730 28.6142 177.8617 21 M 3.8077 8.0833 120.7299 58.3099 31.7055 178.6757 22 A 3.9411 8.3206 121.3041 54.9716 18.5338 179.1510 23 N 4.2958 8.4220 115.9505 56.6652 39.0168 177.1343 24 G 3.6145 8.2096 107.2929 47.8716 0.0000 175.4229 25 K 3.9281 8.1284 122.7816 59.2376 32.0054 178.6276 26 D 4.5083 8.4561 118.5497 56.3742 40.7555 177.7233 27 T 4.5283 7.5757 107.7135 60.5101 69.2431 174.4970 28 G 3.8641 7.5829 107.7795 46.8342 0.0000 173.7620 29 K 4.5749 7.7994 118.0794 54.1009 34.0512 176.5999 30 L 4.2321 8.3999 125.5274 55.2406 43.5769 175.4961 31 V 4.6595 8.7217 125.9682 61.0719 34.4055 174.0273 32 I 4.6012 8.4153 128.6017 59.4650 39.9063 174.3511 33 I 4.5811 8.5535 128.6093 59.5485 39.4411 174.2691 34 D 4.0606 8.8055 128.2647 52.4125 42.2410 175.1990 35 F 4.6744 8.4498 127.0373 57.2362 40.1272 175.1414 36 T 4.5592 8.7462 117.6575 60.6685 71.8263 171.7855 37 A 4.5897 7.5201 122.6562 50.5745 21.6787 177.8651 38 S 3.9909 8.4859 116.1023 60.6645 63.0661 175.5749 39 W 4.5534 7.0251 114.6284 56.5481 28.7919 176.4483 40 C 4.5725 7.2824 120.6284 57.8736 30.7398 173.6096 41 G 3.7662 8.6230 114.9587 47.6491 0.0000 171.4567 42 P 4.3469 0.0000 0.0000 65.0507 31.2986 178.4920 43 C 4.0974 7.9885 115.1837 63.0265 27.8799 176.2365 44 R 3.9302 7.6447 118.0985 59.1086 29.6475 178.9939 45 V 3.7198 7.6555 117.4464 65.8201 31.8255 177.3872 46 I 4.0180 7.7946 116.3950 62.0746 37.9145 177.0998 47 A 4.0824 7.8839 122.2695 55.5302 18.1391 177.8675 48 P 4.1706 0.0000 0.0000 65.5058 31.3007 179.1406 49 V 3.2680 7.6079 116.7751 65.7177 31.5543 177.5386 50 F 4.1385 8.3955 120.3990 61.4507 39.0917 176.9714 51 A 3.8310 8.2569 120.3605 54.8569 18.1136 179.1412 52 E 3.7607 8.1083 117.9047 59.7437 29.7328 178.6824 53 Y 4.4863 7.7619 116.5893 61.1438 37.8998 178.3773 54 A 2.5800 7.0977 121.4796 54.6704 18.0411 179.8665 55 K 3.9010 7.2104 116.0274 59.2686 32.2274 179.5278 56 K 3.9490 7.8684 118.0257 57.7288 33.4390 177.3745 57 F 5.0348 7.9343 117.1817 55.2649 39.0242 174.0929 58 P 4.3718 0.0000 0.0000 64.9215 31.8204 178.4055 59 G 3.8079 8.2288 106.2603 46.3613 0.0000 172.8811 60 A 4.9506 8.1759 121.3056 50.1167 22.2154 175.7836 61 I 4.4229 8.4201 120.7361 59.8258 39.5157 174.9033 62 F 5.0639 9.0156 125.8619 55.9061 41.0965 174.4527 63 L 5.2551 9.2547 124.6295 52.7234 44.8172 175.5688 64 K 4.7827 8.9339 123.6772 54.5618 34.9852 174.7281 65 V 4.4324 8.3740 127.8489 60.8730 34.2073 173.7193 66 D 4.8980 8.5188 128.2094 53.9103 41.6904 177.2469 67 V 3.7683 8.9080 120.0446 63.9132 32.0350 178.2162 68 D 4.4903 8.5508 120.0579 56.3581 41.4530 177.5589 69 E 4.1315 8.5088 119.7439 58.2660 30.5769 175.9556 70 L 5.0027 7.8379 118.4708 52.6823 41.5439 177.0657 71 K 4.2986 8.2125 123.0002 58.8321 32.5311 178.6083 72 D 4.3223 8.0071 119.1140 56.3408 39.5097 178.7478 73 V 3.5780 7.7093 118.9949 65.5361 31.7066 177.5673 74 A 3.6860 8.0377 120.5686 55.1498 18.1463 179.1203 75 E 3.7824 8.3544 117.6026 59.5105 29.4885 178.8904 76 A 3.8776 7.8496 119.3713 54.8720 18.4097 178.1743 77 Y 4.2390 7.5834 112.4283 56.7649 38.4944 175.1898 78 N 4.0140 8.1754 116.4551 53.9307 36.8027 175.2207 79 V 3.5116 7.4241 117.4157 63.4637 31.4598 174.8857 80 E 4.7065 8.4371 126.6393 55.3864 30.7324 175.4023 81 A 4.6520 7.5832 118.7228 51.6184 21.8815 176.5312 82 M 4.7652 8.3419 119.3307 52.5612 35.7313 174.0492 83 P 4.4988 0.0000 0.0000 63.1172 33.2480 175.0041 84 T 5.0462 7.9081 115.9595 61.8286 71.8221 172.9785 85 F 5.1063 9.5132 124.9082 55.7323 41.6025 174.5163 86 L 5.1907 8.7588 123.9371 53.0213 44.7848 175.4394 87 F 5.1021 9.0916 120.9422 55.8247 41.6443 174.4300 88 I 5.0765 9.0529 125.0974 59.3510 40.1603 174.7348 89 K 4.6596 8.9110 127.4619 55.3302 35.9636 175.7558 90 D 4.4519 9.8258 125.3020 55.5645 38.4285 174.6532 91 G 3.9829 8.5606 103.6256 45.7805 0.0000 173.7866 92 E 4.7269 8.0308 118.9492 53.5634 32.5547 175.3975 93 K 4.5239 8.8588 124.2334 56.9986 32.5743 176.5606 94 V 4.4446 8.8550 119.0845 61.7857 34.1052 174.6543 95 D 4.8084 8.0563 118.6879 53.8846 44.7232 173.5437 96 S 5.5888 8.4308 113.9361 57.3457 66.0933 173.7742 97 V 4.6135 9.3471 121.0817 61.2671 34.5322 174.1621 98 V 4.7735 8.9627 127.3883 62.3521 33.5429 176.1229 99 G 4.0602 9.4268 113.5362 45.2461 0.0000 174.0895 100 G 4.0359 8.2319 107.8143 44.8397 0.0000 176.3687 101 R 4.4506 7.4059 120.8939 54.1458 29.9032 177.4541 102 K 3.9293 8.4148 122.0657 59.8417 32.4939 177.8101 103 D 4.4365 8.1284 117.2808 57.3872 41.2737 177.6422 104 D 4.4175 8.1546 119.0096 57.3393 40.8404 178.6713 105 I 3.8334 7.7860 120.2139 64.6906 37.1627 177.8050 106 H 3.6332 8.0064 118.6202 59.4771 29.6347 177.1345 107 T 3.7710 8.2354 117.7628 66.7760 68.3076 176.7110 108 K 3.6987 7.9113 120.0914 59.1858 31.9216 179.5422 109 I 3.4208 7.4759 120.0408 64.1575 37.0719 178.3973 110 V 3.4854 7.4298 118.7659 66.0796 31.0708 177.8336 111 A 3.9305 7.6362 118.7572 55.2926 18.3025 179.3443 112 L 4.0456 7.7251 116.0695 57.4574 41.8180 178.7966 113 M 4.3191 8.0962 117.2439 54.8414 32.2384 176.6567 114 G 3.8752 7.6552 108.1346 47.0447 0.0000 174.2670 *115 S 4.2519 8.0712 120.3340 57.9768 63.0078 176.8110 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 5 E 8.43 4.23 0.00 2.00 2.07 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 2.24 2.29 0.00 6 G 8.57 4.63 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 0.00 0.00 0.00 7 A 7.54 4.68 1.20 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 0.00 0.00 0.00 8 V 8.15 4.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.89 0.00 0.00 9 I 8.96 4.34 1.78 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.51 0.69 0.00 0.00 10 A 8.58 4.44 1.15 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 0.00 0.00 0.00 11 C 8.66 4.63 0.00 2.94 3.11 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 0.00 0.00 0.00 12 H 9.74 4.88 0.00 3.17 3.48 0.00 5.56 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 7.46 4.79 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 1.26 0.00 0.00 14 K 8.63 4.00 0.00 1.89 1.91 0.00 1.97 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.80 1.62 7.81 15 Q 8.13 4.00 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 16 E 8.45 3.93 0.00 2.14 2.18 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 2.43 2.42 0.00 17 F 8.36 4.10 0.00 3.18 3.31 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 18 D 8.65 4.26 0.00 2.90 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 19 T 8.11 3.79 4.30 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 1.09 0.00 0.00 20 H 8.04 4.13 0.00 3.09 3.26 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 M 8.08 3.81 0.00 1.78 1.90 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.73 0.00 22 A 8.32 3.94 1.32 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 0.00 0.00 23 N 8.42 4.30 0.00 2.87 2.96 0.00 0.00 7.06 8.00 0.00 0.00 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 G 8.21 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 0.00 0.00 0.00 25 K 8.13 3.93 0.00 1.81 1.80 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.48 7.81 26 D 8.46 4.51 0.00 2.84 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 27 T 7.58 4.53 4.24 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 1.30 0.00 0.00 28 G 7.58 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 29 K 7.80 4.57 0.00 1.64 1.72 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.52 1.37 7.81 30 L 8.40 4.23 0.00 1.73 1.46 1.04 0.70 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 31 V 8.72 4.66 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 0.62 0.00 0.00 0.85 0.00 0.00 32 I 8.42 4.60 1.39 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.05 0.51 0.00 0.00 33 I 8.55 4.58 1.51 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.59 -0.03 0.00 0.00 34 D 8.81 4.06 0.00 1.58 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 0.00 0.00 0.00 35 F 8.45 4.67 0.00 2.97 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 36 T 8.75 4.56 4.11 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 0.00 0.00 1.07 0.00 0.00 37 A 7.52 4.59 -0.30 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 0.00 0.00 38 S 8.49 3.99 0.00 3.89 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 39 W 7.03 4.55 0.00 3.47 3.19 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 40 C 7.28 4.57 0.00 2.17 2.58 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 41 G 8.62 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 42 P 0.00 4.35 0.00 2.20 2.16 0.00 3.65 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 2.16 2.22 0.00 43 C 7.99 4.10 0.00 2.98 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 44 R 7.64 3.93 0.00 1.91 1.98 0.00 3.12 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.83 0.00 45 V 7.66 3.72 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 0.81 0.00 0.00 0.97 0.00 0.00 46 I 7.79 4.02 1.96 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.46 1.23 0.00 0.00 47 A 7.88 4.08 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.17 0.00 2.13 2.08 0.00 3.72 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 49 V 7.61 3.27 2.07 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 0.52 0.00 0.00 0.84 0.00 0.00 50 F 8.40 4.14 0.00 3.22 3.29 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 51 A 8.26 3.83 1.35 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 0.00 0.00 52 E 8.11 3.76 0.00 2.01 1.86 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 2.27 2.28 0.00 53 Y 7.76 4.49 0.00 3.05 3.13 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 54 A 7.10 2.58 0.78 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 55 K 7.21 3.90 0.00 1.74 1.78 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.52 7.81 56 K 7.87 3.95 0.00 1.62 1.13 0.00 1.86 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.61 7.81 57 F 7.93 5.03 0.00 3.54 3.09 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 58 P 0.00 4.37 0.00 2.19 2.18 0.00 3.82 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 59 G 8.23 3.81 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 0.00 0.00 0.00 60 A 8.18 4.95 1.20 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 0.00 0.00 0.00 61 I 8.42 4.42 1.81 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.68 0.89 0.00 0.00 62 F 9.02 5.06 0.00 2.85 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 63 L 9.25 5.26 0.00 1.50 1.56 0.78 0.54 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 64 K 8.93 4.78 0.00 1.85 1.61 0.00 1.55 0.00 0.00 1.51 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.20 1.19 7.81 65 V 8.37 4.43 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 0.85 0.00 0.00 0.63 0.00 0.00 66 D 8.52 4.90 0.00 2.71 2.50 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 0.00 0.00 0.00 0.00 67 V 8.91 3.77 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 0.74 0.00 0.00 1.08 0.00 0.00 68 D 8.55 4.49 0.00 2.92 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 69 E 8.51 4.13 0.00 2.02 2.07 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 2.40 2.36 0.00 70 L 7.84 5.00 0.00 1.66 1.50 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.21 4.30 0.00 1.81 1.87 0.00 1.96 0.00 0.00 1.85 0.00 0.00 3.26 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.70 1.55 7.81 72 D 8.01 4.32 0.00 2.87 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 73 V 7.71 3.58 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 0.45 0.00 0.00 0.76 0.00 0.00 74 A 8.04 3.69 1.34 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 0.00 0.00 75 E 8.35 3.78 0.00 2.11 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 0.00 2.28 2.34 0.00 76 A 7.85 3.88 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 77 Y 7.58 4.24 0.00 2.73 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 78 N 8.18 4.01 0.00 2.80 2.84 0.00 0.00 6.84 8.54 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 79 V 7.42 3.51 1.79 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 0.60 0.00 0.00 -0.07 0.00 0.00 80 E 8.44 4.71 0.00 1.93 1.87 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 2.17 2.41 0.00 81 A 7.58 4.65 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.34 4.77 0.00 1.87 2.06 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.54 0.00 83 P 0.00 4.50 0.00 1.67 1.96 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.12 0.00 84 T 7.91 5.05 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 85 F 9.51 5.11 0.00 2.95 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 86 L 8.76 5.19 0.00 1.55 1.61 1.01 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 87 F 9.09 5.10 0.00 3.06 2.96 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 88 I 9.05 5.08 1.85 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.04 1.01 0.00 0.00 89 K 8.91 4.66 0.00 1.81 1.59 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.45 7.81 90 D 9.83 4.45 0.00 2.85 2.72 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 91 G 8.56 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.03 4.73 0.00 2.09 1.85 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 2.39 2.36 0.00 93 K 8.86 4.52 0.00 1.93 1.86 0.00 1.86 0.00 0.00 1.91 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.61 7.81 94 V 8.85 4.44 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.01 0.00 0.00 95 D 8.06 4.81 0.00 2.58 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 96 S 8.43 5.59 0.00 4.02 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 97 V 9.35 4.61 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.14 0.00 0.00 98 V 8.96 4.77 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 0.90 0.00 0.00 1.00 0.00 0.00 99 G 9.43 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 100 G 8.23 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 0.00 101 R 7.41 4.45 0.00 1.95 1.94 0.00 3.32 0.00 0.00 3.41 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 102 K 8.41 3.93 0.00 1.86 2.01 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.57 7.81 103 D 8.13 4.44 0.00 2.80 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.15 4.42 0.00 3.00 2.72 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 0.00 105 I 7.79 3.83 2.21 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.97 1.12 0.00 0.00 106 H 8.01 3.63 0.00 2.91 3.42 0.00 5.60 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 T 8.24 3.77 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 1.15 0.00 0.00 108 K 7.91 3.70 0.00 1.27 0.83 0.00 1.29 0.00 0.00 1.36 0.00 0.00 2.87 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.13 1.38 7.81 109 I 7.48 3.42 1.13 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.94 -0.56 0.00 0.00 110 V 7.43 3.49 2.09 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 1.00 0.00 0.00 0.88 0.00 0.00 111 A 7.64 3.93 1.23 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 0.00 0.00 0.00 112 L 7.73 4.05 0.00 1.58 1.68 0.76 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 113 M 8.10 4.32 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 114 G 7.66 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 0.00 0.00 0.00 *115 S 8.07 4.25 0.00 3.61 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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.