NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.0991 8.0093 121.4510 60.9764 37.5099 174.6622 2 P 4.4748 0.0000 0.0000 60.8296 33.2325 171.3926 3 V 4.2964 7.9666 111.4750 59.8954 34.4945 176.6045 4 T 4.6982 8.3746 114.7328 59.9832 71.0185 173.3320 5 H 4.8377 8.7391 120.4757 54.0520 30.3695 174.3759 6 I 4.5159 8.0700 117.4269 58.5290 39.8501 174.9430 7 K 4.1994 8.5597 124.7479 56.3417 32.7146 176.4810 8 C 5.1434 8.5055 122.6229 54.9763 39.5566 173.0279 9 L 4.4593 8.6607 124.1258 54.0462 43.1079 175.1537 10 R 4.8182 8.5727 127.4303 54.9319 31.8160 175.6707 11 I 4.2486 8.4584 127.1395 59.6264 38.8569 172.1279 12 N 4.1436 9.2980 125.8501 54.4359 36.3452 173.6555 13 G 3.9543 8.4192 104.5410 45.6060 0.0000 171.0834 14 Q 4.4695 7.5173 117.9214 54.4389 32.3529 173.0691 15 I 4.6531 8.2790 125.8866 59.4294 39.0353 175.0043 16 K 4.4240 9.2828 126.2451 55.1152 33.1863 175.1859 17 C 4.5025 8.6903 123.9883 57.8876 41.8619 175.0614 18 V 3.9239 7.6848 119.5003 62.0474 31.5743 175.8128 19 K 4.4371 8.2719 127.5081 53.9531 31.9507 173.3429 20 P 4.3877 0.0000 0.0000 62.9137 32.1435 176.7166 21 I 4.0586 8.1688 115.0322 60.6150 38.7495 176.3007 22 S 4.6536 8.4459 119.1731 55.8102 62.0281 172.1646 23 P 4.8247 0.0000 0.0000 61.6308 30.6841 176.0210 24 N 4.1313 7.9156 121.5687 57.3050 39.1376 176.2387 25 T 4.0391 7.7997 115.9403 62.3320 66.0331 173.2605 26 T 4.7063 7.9167 118.3777 58.7206 72.6830 172.9599 27 P 4.2078 0.0000 0.0000 65.9160 31.5476 178.7587 28 A 3.9734 8.0329 118.5645 55.0781 18.3629 179.3205 29 A 3.9228 7.5644 118.6557 55.4283 18.6117 179.1327 30 E 3.8885 8.8723 118.3442 60.0354 29.4534 178.6098 31 H 4.0767 8.4723 118.0689 59.3738 29.9648 177.1015 32 I 3.6929 7.7393 121.0622 64.3934 36.7627 177.8024 33 E 3.9010 7.9618 118.8868 59.9519 29.6777 178.4875 34 H 4.2585 8.1165 115.7803 58.6928 28.7859 177.9624 35 V 3.5855 8.0222 120.3603 66.0349 31.2123 177.7771 36 R 4.2603 8.0675 115.1099 57.3165 30.1265 178.1404 37 K 4.1195 7.5664 119.4467 57.6676 32.5855 176.1716 38 N 4.5719 7.4491 118.1807 52.1329 39.5673 173.9740 39 P 4.2881 0.0000 0.0000 65.8547 31.3528 178.8959 40 R 3.9450 8.6934 118.5978 58.9887 29.7738 179.1041 41 R 3.8786 7.9689 116.5170 59.0334 30.2729 178.2777 42 K 3.9546 7.8906 117.9081 59.5033 32.3762 178.1796 43 A 4.1286 7.9322 120.4740 55.1591 18.3931 179.4359 44 A 3.7881 7.4510 116.6816 53.7844 18.8392 178.7859 *46 D 4.4883 7.9588 120.4196 55.5458 43.1630 178.2822 47 R 3.8891 8.3436 118.1155 59.0825 29.8967 179.0578 48 A 3.9503 7.9288 119.8698 55.0876 18.4241 179.3692 49 A 3.9174 8.0535 118.6045 55.3144 18.4749 179.5443 50 A 3.9170 8.1855 119.1662 55.3938 17.9618 179.9892 51 R 3.8685 7.8414 116.2537 59.6326 30.1582 179.4584 52 I 3.7559 7.9926 119.3115 64.2468 36.9977 178.3166 53 A 4.0388 8.4517 122.0879 55.0724 18.1137 179.4651 54 D 4.2749 8.0412 117.3959 57.6689 41.0976 179.1655 55 K 4.0117 7.7247 117.8685 59.3240 31.9954 179.6426 56 I 3.6897 7.7671 120.0209 64.2770 36.6672 178.2572 57 A 4.3918 8.1208 123.1401 54.5893 17.9966 179.4814 58 L 3.9398 7.7864 117.6609 58.2253 42.2897 178.8004 59 K 4.0540 7.8824 117.8376 58.6522 32.2337 177.6066 60 A 4.5434 7.4563 118.1411 51.3287 19.6136 176.3727 61 G 4.1142 7.8707 105.2708 45.0758 0.0000 174.2657 62 G 3.8604 7.4197 104.8438 45.4312 0.0000 170.7198 63 E 3.9816 8.2223 120.4942 56.7173 30.0229 177.3922 64 T 5.0181 8.1623 116.6896 60.1022 72.4177 175.4032 65 F 4.0669 8.5157 121.9111 61.2975 39.1436 176.9817 66 V 3.4631 7.7866 116.2347 66.0866 31.5398 177.0728 67 S 4.1555 7.7685 111.3539 61.6724 62.2578 175.5721 68 L 4.0754 7.9368 122.3520 58.1790 41.9230 179.4941 69 R 3.7943 7.2826 115.3633 57.4949 29.9522 177.8109 *71 K 4.2602 7.9835 117.6394 55.8255 33.8884 176.8151 72 K 4.2417 7.9191 115.8324 56.2334 32.2588 176.9153 73 G 3.6974 8.1160 106.5738 46.5783 0.0000 173.2848 74 F 4.8307 7.9011 118.4579 55.1833 40.6295 176.9641 75 T 4.1403 8.7846 117.0732 61.4078 70.6999 174.9657 76 Q 3.9719 8.8613 123.3033 59.8643 28.8560 179.3896 77 S 4.1934 8.0647 113.2787 61.3977 62.4767 175.8595 78 E 4.0326 8.1772 121.2628 59.4283 29.2998 179.0373 79 L 3.6980 8.5025 120.4436 58.0761 42.0960 178.7611 80 A 4.0641 8.1545 120.6500 55.5270 18.0549 179.8479 81 T 3.8316 8.0538 113.9088 66.8302 68.3867 176.8751 82 A 4.0742 8.2850 121.4111 54.4539 18.4037 178.5108 83 A 4.5623 7.8376 116.4553 50.8297 19.4684 176.9055 84 G 3.9412 7.7662 105.6931 47.2340 0.0000 174.0567 85 L 4.8684 7.7974 117.5854 51.6521 44.9335 175.4545 86 P 4.5745 0.0000 0.0000 62.0537 33.3875 177.5481 87 Q 4.0254 8.6865 122.5953 58.8030 29.2391 176.6251 88 P 4.2610 0.0000 0.0000 66.0411 31.4189 177.8247 89 Y 4.1792 8.0567 117.5338 60.5542 38.7764 177.5814 90 L 3.8550 8.1729 121.3540 58.1189 42.0865 178.7018 91 S 4.1136 8.6091 113.4406 61.6957 62.2794 176.4971 92 R 3.8750 7.8402 120.2108 59.2177 29.5233 179.0745 93 I 3.6179 7.1995 118.7754 64.3821 37.1017 178.0715 94 E 4.2487 8.1126 118.1840 58.2566 29.3531 177.2857 95 N 4.7579 7.6076 113.7560 54.3456 41.2216 175.2989 96 S 4.5043 7.7708 111.0835 59.7791 64.5025 175.3000 97 K 4.1623 8.1731 118.7028 56.7845 32.2867 176.9758 98 Q 4.7252 8.9616 120.2427 56.8208 29.5692 175.6667 99 S 4.7980 7.8538 109.6758 56.8568 66.2141 172.6511 100 L 4.5810 7.6010 119.6552 52.3205 44.3810 177.6151 101 Q 4.1571 8.3545 121.5456 55.5326 30.8667 177.0170 102 D 4.2870 8.6022 122.0953 57.5935 41.3114 178.5445 103 K 3.8535 8.1183 119.4472 59.9934 31.9641 178.6934 104 T 3.8794 7.7594 115.2953 66.5767 68.5652 176.5285 105 V 3.5538 7.5258 119.7501 66.3081 31.3090 178.1890 106 Q 3.9314 7.9882 117.0857 58.9249 28.6387 178.4347 107 K 3.8558 7.9797 119.5086 59.7810 32.1583 179.3465 108 L 3.9804 8.3737 119.0466 57.5942 41.5934 179.2439 109 A 4.0099 8.4577 121.1541 55.2962 18.0897 179.4397 110 N 4.2469 8.1890 113.5201 56.4003 38.7394 177.0030 111 A 4.1083 7.6411 120.6662 55.2408 18.5861 179.1736 112 L 4.1509 7.8105 114.3858 54.1831 42.7799 176.8704 113 G 3.9461 8.0180 106.9620 46.7015 0.0000 172.8763 114 V 4.5706 7.2719 109.2601 58.1491 36.5952 176.6431 115 S 4.3775 8.2902 115.7196 57.6070 64.9235 173.1678 116 P 4.2281 0.0000 0.0000 65.9595 31.0354 178.4621 117 L 3.9581 7.9712 118.2489 58.2682 41.8563 178.5607 118 E 3.9803 8.1130 118.2278 59.5099 29.4549 179.1704 119 V 3.7192 7.6534 117.6257 66.4969 31.5574 178.2072 120 R 3.9758 8.5872 117.4765 59.3683 29.7341 178.9797 121 A 4.0790 8.5305 119.5014 54.9457 18.6315 179.3779 122 A 4.7129 8.4050 120.9004 54.9309 18.4948 179.2471 123 F 4.0265 8.5474 119.2203 61.8434 39.5485 177.0198 124 E 4.5897 8.6846 116.3347 58.0565 29.0799 178.2939 125 R 4.3278 7.8863 118.5457 57.4864 30.3843 176.6729 126 R 3.9039 7.3705 113.2146 57.6991 29.9108 175.4300 127 Y 4.6058 7.5585 116.4390 56.2926 40.5445 174.2216 128 E 4.5825 8.3348 120.8189 54.8337 30.6838 174.5363 129 Y 4.3547 8.2574 127.6470 56.9655 40.2076 175.7208 *131 E 4.1045 8.6528 122.0122 57.4536 29.8633 176.4725 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 1 I 8.01 4.10 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 1.47 1.07 0.91 0.00 0.00 2 P 0.00 4.47 0.00 2.26 2.06 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.05 0.00 3 V 7.97 4.30 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 0.79 0.00 0.00 0.96 0.00 0.00 4 T 8.37 4.70 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 5 H 8.74 4.84 0.00 3.09 3.29 0.00 5.84 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 6 I 8.07 4.52 1.88 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 1.29 0.67 0.92 0.00 0.00 7 K 8.56 4.20 0.00 1.75 1.76 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.46 7.81 8 C 8.51 5.14 0.00 2.84 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 9 L 8.66 4.46 0.00 1.76 1.61 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.57 4.82 0.00 1.85 1.81 0.00 3.23 0.00 0.00 3.15 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 11 I 8.46 4.25 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.31 0.89 0.00 0.00 12 N 9.30 4.14 0.00 2.85 2.78 0.00 0.00 7.23 7.98 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 13 G 8.42 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 14 Q 7.52 4.47 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.44 6.74 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 15 I 8.28 4.65 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 1.29 0.73 0.91 0.00 0.00 16 K 9.28 4.42 0.00 1.67 1.64 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.34 7.81 17 C 8.69 4.50 0.00 2.98 3.10 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 18 V 7.68 3.92 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 0.82 0.00 0.00 0.94 0.00 0.00 19 K 8.27 4.44 0.00 1.87 1.81 0.00 1.63 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.39 7.81 20 P 0.00 4.39 0.00 2.21 2.11 0.00 3.79 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 21 I 8.17 4.06 1.88 0.00 0.00 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 1.30 0.48 0.92 0.00 0.00 22 S 8.45 4.65 0.00 3.82 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 23 P 0.00 4.82 0.00 2.20 2.05 0.00 3.87 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 1.90 1.96 0.00 24 N 7.92 4.13 0.00 2.74 2.93 0.00 0.00 7.18 7.54 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 25 T 7.80 4.04 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 1.22 0.00 0.00 26 T 7.92 4.71 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 27 P 0.00 4.21 0.00 2.19 2.17 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 28 A 8.03 3.97 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 29 A 7.56 3.92 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 30 E 8.87 3.89 0.00 2.23 2.23 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 2.37 2.48 0.00 31 H 8.47 4.08 0.00 3.44 3.46 0.00 5.85 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 32 I 7.74 3.69 1.90 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 1.45 0.62 0.93 0.00 0.00 33 E 7.96 3.90 0.00 2.08 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 0.00 2.25 2.33 0.00 34 H 8.12 4.26 0.00 3.38 3.28 0.00 5.87 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.02 3.59 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 1.03 0.00 0.00 0.91 0.00 0.00 36 R 8.07 4.26 0.00 1.91 1.92 0.00 3.20 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 37 K 7.57 4.12 0.00 1.86 1.83 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.41 7.81 38 N 7.45 4.57 0.00 2.89 2.81 0.00 0.00 6.80 7.59 0.00 0.00 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 P 0.00 4.29 0.00 2.28 2.27 0.00 3.73 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 2.06 2.04 0.00 40 R 8.69 3.95 0.00 1.90 2.00 0.00 3.12 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 41 R 7.97 3.88 0.00 2.00 1.98 0.00 3.30 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 42 K 7.89 3.95 0.00 2.00 1.94 0.00 1.74 0.00 0.00 1.63 0.00 0.00 3.10 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.54 1.42 7.81 43 A 7.93 4.13 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 44 A 7.45 3.79 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 *46 D 7.96 4.49 0.00 2.88 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 47 R 8.34 3.89 0.00 1.95 1.97 0.00 3.12 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 48 A 7.93 3.95 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 49 A 8.05 3.92 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 50 A 8.19 3.92 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 51 R 7.84 3.87 0.00 2.16 1.99 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 52 I 7.99 3.76 1.99 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 1.45 0.74 0.91 0.00 0.00 53 A 8.45 4.04 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 54 D 8.04 4.27 0.00 2.96 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 55 K 7.72 4.01 0.00 1.98 1.86 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.65 7.81 56 I 7.77 3.69 2.03 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 1.45 1.08 0.90 0.00 0.00 57 A 8.12 4.39 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 58 L 7.79 3.94 0.00 1.85 1.71 0.92 0.50 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 59 K 7.88 4.05 0.00 1.95 1.99 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.49 7.81 60 A 7.46 4.54 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 61 G 7.87 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 0.00 0.00 0.00 0.00 62 G 7.42 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 63 E 8.22 3.98 0.00 2.07 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 2.37 2.36 0.00 64 T 8.16 5.02 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 1.25 0.00 0.00 65 F 8.52 4.07 0.00 3.27 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 66 V 7.79 3.46 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 0.90 0.00 0.00 1.01 0.00 0.00 67 S 7.77 4.16 0.00 3.89 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 68 L 7.94 4.08 0.00 1.73 1.68 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 69 R 7.28 3.79 0.00 1.53 1.88 0.00 3.21 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.57 0.00 *71 K 7.98 4.26 0.00 1.93 1.90 0.00 1.96 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.46 7.81 72 K 7.92 4.24 0.00 1.95 2.10 0.00 1.85 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.65 1.58 7.81 73 G 8.12 3.70 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 0.00 0.00 0.00 74 F 7.90 4.83 0.00 3.15 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 75 T 8.78 4.14 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 76 Q 8.86 3.97 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.95 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 77 S 8.06 4.19 0.00 4.07 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 78 E 8.18 4.03 0.00 2.49 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 0.00 2.36 2.36 0.00 79 L 8.50 3.70 0.00 1.62 1.69 0.47 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 80 A 8.15 4.06 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.05 3.83 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 1.25 0.00 0.00 82 A 8.29 4.07 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 83 A 7.84 4.56 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 84 G 7.77 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 85 L 7.80 4.87 0.00 1.69 1.69 1.03 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.57 0.00 2.23 1.98 0.00 3.69 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 87 Q 8.69 4.03 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.83 0.00 0.00 0.00 0.00 0.00 2.47 2.57 0.00 88 P 0.00 4.26 0.00 2.26 2.15 0.00 3.70 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 2.16 2.20 0.00 89 Y 8.06 4.18 0.00 3.01 3.16 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 90 L 8.17 3.86 0.00 1.88 1.85 1.05 0.81 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 91 S 8.61 4.11 0.00 4.07 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 92 R 7.84 3.87 0.00 1.95 1.84 0.00 3.23 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 93 I 7.20 3.62 1.69 0.00 0.00 0.55 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 -0.12 0.22 0.00 0.00 94 E 8.11 4.25 0.00 2.00 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 2.85 2.76 0.00 95 N 7.61 4.76 0.00 2.67 2.75 0.00 0.00 6.89 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 96 S 7.77 4.50 0.00 3.79 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 97 K 8.17 4.16 0.00 1.81 1.91 0.00 1.24 0.00 0.00 1.44 0.00 0.00 3.00 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.47 1.31 7.81 98 Q 8.96 4.73 0.00 2.14 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.78 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 99 S 7.85 4.80 0.00 3.90 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 0.00 100 L 7.60 4.58 0.00 1.17 1.31 0.27 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 8.35 4.16 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.88 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 102 D 8.60 4.29 0.00 2.72 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 0.00 103 K 8.12 3.85 0.00 1.84 1.79 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.54 7.81 104 T 7.76 3.88 4.33 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 1.26 0.00 0.00 105 V 7.53 3.55 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 0.97 0.00 0.00 0.89 0.00 0.00 106 Q 7.99 3.93 0.00 2.32 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.50 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 107 K 7.98 3.86 0.00 2.00 2.02 0.00 1.68 0.00 0.00 1.88 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.68 7.81 108 L 8.37 3.98 0.00 1.94 1.83 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 109 A 8.46 4.01 1.46 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 0.00 0.00 110 N 8.19 4.25 0.00 2.85 2.90 0.00 0.00 7.04 8.18 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 0.00 111 A 7.64 4.11 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 0.00 112 L 7.81 4.15 0.00 1.58 1.67 0.76 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.02 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 0.00 114 V 7.27 4.57 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 0.87 0.00 0.00 0.94 0.00 0.00 115 S 8.29 4.38 0.00 4.05 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.23 0.00 2.18 2.16 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 117 L 7.97 3.96 0.00 1.76 1.68 0.93 0.98 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 E 8.11 3.98 0.00 2.25 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 119 V 7.65 3.72 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 1.18 0.00 0.00 1.03 0.00 0.00 120 R 8.59 3.98 0.00 1.88 2.02 0.00 3.19 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 121 A 8.53 4.08 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 0.00 122 A 8.40 4.71 1.56 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 0.00 0.00 0.00 0.00 0.00 0.00 123 F 8.55 4.03 0.00 3.33 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 0.00 124 E 8.68 4.59 0.00 2.25 2.41 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 2.85 2.66 0.00 125 R 7.89 4.33 0.00 2.09 1.95 0.00 3.38 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.71 0.00 126 R 7.37 3.90 0.00 1.48 1.58 0.00 2.21 0.00 0.00 2.47 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.50 0.00 127 Y 7.56 4.61 0.00 2.98 2.45 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 0.00 128 E 8.33 4.58 0.00 1.86 1.83 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 2.18 2.38 0.00 129 Y 8.26 4.35 0.00 2.99 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 *131 E 8.65 4.10 0.00 1.95 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 2.19 2.39 0.00 * Residues marked with a * may have inaccurate shift predictions.