NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.3962 0.0000 0.0000 62.2834 32.7792 176.0929 6 T 3.8252 8.1019 109.8604 60.7364 69.5562 173.3511 7 I 3.5991 8.7271 123.2958 64.6411 38.9169 178.8178 8 N 4.2783 7.7174 117.3374 56.7854 38.4672 176.9120 9 Q 3.9934 8.2806 119.8264 58.8887 28.3979 178.3711 10 L 3.8252 7.8946 119.5395 57.6754 41.4163 179.5063 11 V 3.6057 7.6959 117.4251 66.1490 31.5307 178.1253 12 R 4.0690 7.6063 115.8114 58.9112 30.0466 177.9941 13 K 4.3296 8.9581 117.0913 56.8541 33.3165 178.1171 14 G 3.9803 7.5721 102.3928 44.9301 0.0000 172.7227 15 R 4.1903 7.9439 117.4931 55.2034 30.8905 176.2592 16 E 4.1847 8.5553 123.3030 54.9594 30.1845 176.2391 17 K 4.1207 8.4955 127.6621 55.9915 33.5056 175.5222 18 V 3.1648 8.3202 114.6225 62.1147 31.0233 174.9627 19 R 4.0911 9.0595 125.4886 56.7587 31.1747 174.8135 20 K 4.6813 8.2331 123.1794 54.7394 35.2494 175.7942 21 K 4.1614 8.3026 120.2281 55.6627 33.1767 177.0788 22 S 4.1980 8.4445 117.1687 57.6599 61.6492 174.6131 23 K 3.8383 8.4704 130.0428 58.3892 32.0574 176.8230 24 V 4.0312 7.4969 117.0156 62.3917 34.0885 172.3637 25 P 4.5790 0.0000 0.0000 61.8294 28.8012 175.7142 26 A 4.2170 7.6907 117.1519 53.5987 19.2222 178.5118 27 L 3.0911 8.0789 118.3727 58.0862 41.0092 175.2542 28 K 4.2140 9.4037 113.6323 57.9280 29.7067 175.5126 29 G 3.8513 8.0835 109.0439 46.3490 0.0000 174.6659 30 A 4.3410 7.2049 122.1838 50.3923 19.8711 177.5319 31 P 3.8920 0.0000 0.0000 65.6771 31.4970 175.9026 32 F 5.0794 7.4619 113.5467 56.7393 43.9818 173.8878 33 R 4.7076 8.6926 119.4794 55.1496 33.7669 173.8577 34 R 4.8097 8.8625 126.5386 56.2329 31.9072 175.0380 35 G 4.4698 9.1832 111.2341 45.6099 0.0000 171.9326 36 V 4.5954 8.8044 120.8920 61.5799 33.8839 176.5313 37 C 4.8240 8.1460 123.1078 61.7029 29.6224 172.2173 38 T 4.3563 8.3213 120.5216 63.5362 68.9009 174.0874 39 V 4.3445 6.7944 120.2216 61.7270 34.9487 173.2642 40 V 4.5273 8.1551 126.8011 61.5367 30.6395 174.7902 41 R 4.6001 7.9370 125.9530 55.4836 33.7299 174.1903 42 T 4.9372 8.3521 112.7828 61.3727 70.1070 175.0326 43 V 4.5222 8.8761 122.6674 60.0634 34.8597 174.8210 44 T 4.9058 8.2168 112.4956 59.8741 69.9156 172.8254 45 P 4.3475 0.0000 0.0000 61.2706 33.8627 177.6304 46 K 4.5605 7.7389 127.5480 56.3625 30.0635 177.8593 47 K 4.0631 8.4363 120.0034 57.2494 32.0719 174.7661 48 P 4.4602 0.0000 0.0000 64.1957 32.0259 176.3114 49 N 5.0280 7.5689 116.8901 51.6184 40.7598 174.0934 50 S 4.5504 8.2959 114.4700 56.2897 65.6697 173.5919 51 A 4.3443 7.6846 127.3776 52.8196 23.1660 175.7643 52 L 4.9016 8.2503 111.2493 53.2838 43.1729 175.8938 53 R 4.3246 9.0338 122.4977 55.8060 31.9389 175.5568 54 K 4.6146 8.8932 122.8742 55.9080 34.0185 176.2751 55 V 5.0329 8.1790 117.2400 59.8771 36.4778 174.2319 56 A 4.9638 8.6734 120.9676 51.1817 22.6581 176.2727 57 K 4.5768 9.1082 122.2021 56.0107 34.0986 176.3251 58 V 4.6977 8.9549 122.1960 61.3216 35.7849 173.9101 59 R 4.7381 9.5111 128.7069 54.9577 31.2411 175.2024 60 L 4.9487 8.6317 127.4499 53.7480 42.7766 177.6181 61 T 3.9778 8.5818 112.5077 64.8261 69.1073 176.5255 62 S 4.1169 8.0623 113.2135 58.6978 62.5431 175.8240 63 G 4.1031 8.1611 111.0741 46.4471 0.0000 173.8304 64 Y 4.3156 7.7419 117.0305 57.9268 39.8653 175.3119 65 E 5.6368 8.2922 119.7396 55.8918 30.3450 174.4127 66 V 4.3620 7.8740 118.6115 59.7810 34.7921 174.1893 67 T 5.0564 8.3230 111.3306 60.3489 70.8252 173.5170 68 A 5.1142 9.2967 124.8548 50.6534 23.6653 173.6396 69 Y 5.2185 8.8008 120.0951 56.1234 41.1523 174.7970 70 I 4.2569 7.6339 120.7588 58.2779 37.9727 173.4967 71 P 3.7860 0.0000 0.0000 62.7736 31.5570 175.7340 72 G 4.0203 8.5789 110.2077 45.3150 0.0000 172.9586 73 E 4.0871 8.6065 118.3137 56.7968 29.5425 176.1814 74 G 4.1330 10.4806 114.7330 46.2319 0.0000 171.5446 75 H 4.6816 8.1767 116.6411 54.5273 31.0543 172.9277 76 N 4.7711 8.4231 116.6576 51.1437 37.9081 173.5684 77 L 4.6393 7.8946 122.1808 53.5695 45.8248 175.3115 78 Q 4.6431 8.1291 120.1911 53.8201 32.6507 175.0748 79 E 3.8141 8.4184 118.3484 59.8881 30.0183 176.6986 80 H 4.5192 8.1510 115.9299 54.0367 30.2417 174.8105 81 S 5.6792 8.1742 128.2078 58.0611 64.3690 175.9735 82 V 4.2653 9.1738 130.8098 63.3735 32.5633 174.9619 83 V 4.6355 9.2822 125.4310 61.8401 35.9336 172.1098 84 L 4.9975 8.2687 125.9630 53.3385 44.1222 175.3759 85 I 4.7071 8.9434 127.5922 60.9857 38.3963 176.2807 86 R 4.5907 9.2741 124.0549 54.7608 32.2672 171.9010 87 G 3.6263 8.6832 115.7775 44.0850 0.0000 173.1848 88 G 4.6095 7.8418 126.4196 45.0800 0.0000 171.9274 89 R 4.1390 7.9450 122.6726 55.1536 29.6712 177.2049 90 V 4.1439 7.7317 115.8124 60.1562 32.2070 172.9942 91 K 4.2314 8.0881 133.1071 54.7428 32.3313 173.9361 92 D 4.3212 7.4654 123.5359 54.7422 47.3800 175.3118 93 L 4.3796 7.4759 122.6449 52.1915 41.1077 174.0884 94 P 4.4524 0.0000 0.0000 63.9076 31.5888 177.2915 95 G 3.9364 9.1435 111.4392 44.9506 0.0000 173.0981 96 V 4.2717 7.9705 120.4457 61.7240 32.2091 175.4334 97 R 4.7852 8.8150 124.7031 55.9331 32.3100 174.5818 98 Y 5.2033 8.0982 115.8748 57.0732 42.8425 173.6218 99 H 5.4621 9.1334 118.2241 54.4650 32.1908 173.3776 100 I 4.7753 8.2406 121.6762 59.8688 38.6392 175.9141 101 V 3.8147 8.7347 127.4338 62.6700 31.8244 175.5379 102 R 4.2790 8.5361 126.8029 56.4421 31.1369 177.0588 103 G 3.8758 9.6027 111.4076 45.3203 0.0000 173.1209 104 V 4.2106 6.9277 117.4979 61.7957 35.0001 175.8675 105 Y 3.7187 8.8266 124.2099 58.7740 35.9610 171.2922 106 D 4.5058 8.3335 123.3157 56.3307 40.6629 176.3391 107 A 4.3910 8.0773 124.5392 49.9984 18.4345 177.2202 108 A 4.2871 8.7925 125.0521 53.1709 19.0934 177.1533 109 G 4.2667 8.1030 106.2597 44.9108 0.0000 172.8259 110 V 4.2594 7.9781 120.2601 61.1283 32.6400 175.9145 111 K 4.2006 8.5413 130.4284 58.1578 32.1281 176.6570 112 D 4.7634 9.1963 126.8469 53.8702 38.8357 174.7333 113 R 3.8509 7.3132 119.4382 56.8438 30.2071 176.0139 114 K 4.7118 8.5705 121.9676 55.9604 35.0047 176.0561 115 K 4.4169 7.4922 117.5537 56.3624 31.6253 180.5066 116 S 4.4769 8.8297 122.2984 60.1904 60.0717 173.2723 117 R 4.3213 8.1007 123.8673 57.7339 31.0181 178.8115 118 S 4.1062 8.3985 111.9701 61.0779 62.3875 174.7406 119 K 4.3259 7.9673 118.1519 56.9340 33.0926 177.5464 120 Y 3.4991 8.3433 116.9154 57.2784 36.4109 168.6543 121 G 4.0900 7.6449 105.2029 45.1385 0.0000 171.3953 122 T 4.8457 8.1703 119.3430 61.6094 72.8656 174.6004 123 K 4.0468 8.5361 125.7288 55.6549 32.7378 176.6790 124 K 3.9468 8.5362 123.8476 55.7972 31.5841 174.6533 125 P 4.3300 0.0000 0.0000 62.4469 31.6640 176.0227 126 K 4.1831 8.4416 122.1633 56.0573 32.6908 177.3874 127 E 3.7403 8.8390 124.9737 56.9151 30.2557 175.9946 128 A 3.4116 7.1237 120.7353 52.7268 15.8891 177.3036 *129 A 4.1172 7.6710 126.4897 51.8136 18.9464 177.0502 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 P 0.00 4.40 0.00 2.19 2.12 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 6 T 8.10 3.83 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 1.21 0.00 0.00 7 I 8.73 3.60 1.87 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 1.52 1.19 0.91 0.00 0.00 8 N 7.72 4.28 0.00 2.65 2.81 0.00 0.00 7.27 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 8.28 3.99 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 10 L 7.89 3.83 0.00 1.80 1.72 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.70 3.61 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 0.83 0.00 0.00 1.01 0.00 0.00 12 R 7.61 4.07 0.00 1.99 1.97 0.00 3.20 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.07 0.00 13 K 8.96 4.33 0.00 1.71 1.82 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.47 7.81 14 G 7.57 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 15 R 7.94 4.19 0.00 1.81 1.86 0.00 3.37 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 16 E 8.56 4.18 0.00 1.92 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 2.28 2.29 0.00 17 K 8.50 4.12 0.00 1.75 1.69 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.40 7.81 18 V 8.32 3.16 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 0.72 0.00 0.00 0.92 0.00 0.00 19 R 9.06 4.09 0.00 1.91 2.12 0.00 3.18 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 20 K 8.23 4.68 0.00 1.84 1.72 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.27 1.34 7.81 21 K 8.30 4.16 0.00 1.76 1.78 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.42 7.81 22 S 8.44 4.20 0.00 3.85 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 23 K 8.47 3.84 0.00 1.70 1.76 0.00 1.82 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.40 7.81 24 V 7.50 4.03 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 0.55 0.00 0.00 0.50 0.00 0.00 25 P 0.00 4.58 0.00 2.23 2.17 0.00 3.99 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.19 0.00 26 A 7.69 4.22 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 27 L 8.08 3.09 0.00 1.57 1.53 0.86 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 28 K 9.40 4.21 0.00 1.81 2.12 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.40 7.81 29 G 8.08 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 0.00 0.00 0.00 30 A 7.20 4.34 1.36 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 0.00 0.00 0.00 31 P 0.00 3.89 0.00 2.04 1.88 0.00 3.72 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 32 F 7.46 5.08 0.00 2.98 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 33 R 8.69 4.71 0.00 1.87 1.75 0.00 3.14 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 34 R 8.86 4.81 0.00 2.14 1.87 0.00 3.10 0.00 0.00 3.42 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.15 0.00 35 G 9.18 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 0.00 0.00 0.00 0.00 36 V 8.80 4.60 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 0.95 0.00 0.00 0.94 0.00 0.00 37 C 8.15 4.82 0.00 3.03 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 38 T 8.32 4.36 4.21 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 1.26 0.00 0.00 39 V 6.79 4.34 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 0.91 0.00 0.00 0.93 0.00 0.00 40 V 8.16 4.53 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 0.95 0.00 0.00 0.95 0.00 0.00 41 R 7.94 4.60 0.00 1.99 1.82 0.00 3.14 0.00 0.00 3.11 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 42 T 8.35 4.94 4.27 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 1.23 0.00 0.00 43 V 8.88 4.52 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 0.74 0.00 0.00 0.95 0.00 0.00 44 T 8.22 4.91 4.25 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 1.22 0.00 0.00 45 P 0.00 4.35 0.00 2.17 2.20 0.00 3.68 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 2.04 2.12 0.00 46 K 7.74 4.56 0.00 2.11 0.85 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.36 7.81 47 K 8.44 4.06 0.00 1.82 1.57 0.00 1.77 0.00 0.00 1.86 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.41 7.81 48 P 0.00 4.46 0.00 2.21 2.16 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 49 N 7.57 5.03 0.00 2.66 2.75 0.00 0.00 6.61 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.30 4.55 0.00 3.76 3.68 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 51 A 7.68 4.34 1.27 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 0.00 0.00 52 L 8.25 4.90 0.00 1.51 1.60 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 53 R 9.03 4.32 0.00 1.86 1.98 0.00 3.20 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.73 0.00 54 K 8.89 4.61 0.00 1.61 1.56 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.53 7.81 55 V 8.18 5.03 2.21 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 0.97 0.00 0.00 0.98 0.00 0.00 56 A 8.67 4.96 1.21 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 0.00 0.00 57 K 9.11 4.58 0.00 1.71 1.72 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.39 7.81 58 V 8.95 4.70 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 0.95 0.00 0.00 0.93 0.00 0.00 59 R 9.51 4.74 0.00 1.87 1.90 0.00 3.20 0.00 0.00 3.36 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 60 L 8.63 4.95 0.00 1.71 1.63 0.93 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.58 3.98 4.26 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 1.29 0.00 0.00 62 S 8.06 4.12 0.00 3.82 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 63 G 8.16 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 7.74 4.32 0.00 2.87 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 65 E 8.29 5.64 0.00 1.92 1.77 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 2.18 2.31 0.00 66 V 7.87 4.36 1.84 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 0.65 0.00 0.00 0.30 0.00 0.00 67 T 8.32 5.06 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 1.23 0.00 0.00 68 A 9.30 5.11 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 69 Y 8.80 5.22 0.00 2.91 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 70 I 7.63 4.26 1.60 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 0.42 0.83 0.00 0.00 71 P 0.00 3.79 0.00 1.79 1.86 0.00 3.62 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.96 0.00 72 G 8.58 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.61 4.09 0.00 1.98 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 2.33 2.32 0.00 74 G 10.48 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 0.00 0.00 0.00 75 H 8.18 4.68 0.00 3.22 3.20 0.00 5.47 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.42 4.77 0.00 2.77 2.82 0.00 0.00 5.81 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 77 L 7.89 4.64 0.00 1.68 1.59 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 8.13 4.64 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.84 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 79 E 8.42 3.81 0.00 1.96 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 0.00 2.23 2.49 0.00 80 H 8.15 4.52 0.00 3.15 3.23 0.00 6.10 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 81 S 8.17 5.68 0.00 4.21 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 82 V 9.17 4.27 2.17 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 0.84 0.00 0.00 0.91 0.00 0.00 83 V 9.28 4.64 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 0.87 0.00 0.00 1.04 0.00 0.00 84 L 8.27 5.00 0.00 1.17 1.18 0.73 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.94 4.71 2.08 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 1.04 0.57 1.08 0.00 0.00 86 R 9.27 4.59 0.00 1.94 2.12 0.00 3.45 0.00 0.00 3.34 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.75 0.00 87 G 8.68 3.63 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 88 G 7.84 4.61 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 89 R 7.95 4.14 0.00 1.89 1.94 0.00 2.55 0.00 0.00 3.77 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 90 V 7.73 4.14 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 0.66 0.00 0.00 0.75 0.00 0.00 91 K 8.09 4.23 0.00 1.70 1.75 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.50 7.81 92 D 7.47 4.32 0.00 2.52 2.46 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 93 L 7.48 4.38 0.00 1.68 1.57 0.70 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.45 0.00 2.03 2.00 0.00 3.63 0.00 0.00 3.86 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 95 G 9.14 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 0.00 0.00 0.00 96 V 7.97 4.27 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 0.99 0.00 0.00 97 R 8.82 4.79 0.00 1.84 1.64 0.00 3.13 0.00 0.00 3.35 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 98 Y 8.10 5.20 0.00 2.88 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 99 H 9.13 5.46 0.00 3.15 3.25 0.00 5.80 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.24 4.78 1.96 0.00 0.00 nan 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 0.55 0.87 0.00 0.00 101 V 8.73 3.81 1.90 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 0.56 0.00 0.00 0.87 0.00 0.00 102 R 8.54 4.28 0.00 1.79 1.91 0.00 3.27 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 103 G 9.60 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 0.00 104 V 6.93 4.21 1.72 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 -0.03 0.00 0.00 0.69 0.00 0.00 105 Y 8.83 3.72 0.00 3.16 2.83 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 0.00 106 D 8.33 4.51 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 0.00 107 A 8.08 4.39 1.27 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 0.00 0.00 108 A 8.79 4.29 1.39 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 0.00 0.00 0.00 109 G 8.10 4.27 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 0.00 0.00 0.00 110 V 7.98 4.26 2.17 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 0.93 0.00 0.00 1.19 0.00 0.00 111 K 8.54 4.20 0.00 1.81 1.72 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.48 7.81 112 D 9.20 4.76 0.00 2.85 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 0.00 113 R 7.31 3.85 0.00 1.68 1.81 0.00 3.22 0.00 0.00 3.04 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.52 0.00 114 K 8.57 4.71 0.00 1.70 1.73 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.67 7.81 115 K 7.49 4.42 0.00 1.62 0.85 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.30 1.32 7.81 116 S 8.83 4.48 0.00 3.90 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 0.00 117 R 8.10 4.32 0.00 1.89 2.09 0.00 3.27 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 1.64 1.81 0.00 118 S 8.40 4.11 0.00 3.85 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 0.00 119 K 7.97 4.33 0.00 2.25 1.65 0.00 1.94 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.55 7.81 120 Y 8.34 3.50 0.00 3.27 3.17 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 0.00 121 G 7.64 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 0.00 0.00 0.00 122 T 8.17 4.85 4.27 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 1.22 0.00 0.00 123 K 8.54 4.05 0.00 1.75 1.74 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.37 7.81 124 K 8.54 3.95 0.00 1.71 1.77 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.43 7.81 125 P 0.00 4.33 0.00 2.21 2.04 0.00 3.81 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 126 K 8.44 4.18 0.00 1.86 1.72 0.00 1.60 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.63 7.81 127 E 8.84 3.74 0.00 2.00 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 2.31 2.30 0.00 128 A 7.12 3.41 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 *129 A 7.67 4.12 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 * Residues marked with a * may have inaccurate shift predictions.