NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.6964 8.4201 118.1268 53.1385 40.8352 175.8380 0 A 4.0732 7.9344 123.0766 51.7749 17.3952 174.1462 2 S 3.5123 8.4485 118.8322 59.1571 63.6039 171.4101 3 V 3.9758 8.2261 122.0697 63.1768 32.3338 175.2134 4 V 4.4200 9.0290 127.5720 61.1564 34.1624 173.9852 5 I 5.0291 8.4933 128.6416 59.7786 38.8643 174.8490 6 E 4.9217 9.2743 126.5605 53.9735 34.0723 175.3403 7 R 3.7889 8.8387 123.4077 56.6628 30.4887 175.5929 8 I 4.5697 7.8455 119.3816 58.1418 40.4170 173.9212 9 P 4.3988 0.0000 0.0000 62.1810 31.8157 177.9282 10 K 4.0243 8.5020 120.3298 59.5325 32.6126 178.1083 11 E 4.0040 8.1432 116.3419 58.2536 29.8794 177.0599 12 A 4.5039 7.7476 121.5818 51.4673 19.0610 177.0428 13 I 3.7423 7.6332 111.0239 61.6149 37.9228 175.8272 14 P 4.5607 0.0000 0.0000 61.1739 29.1217 176.3402 15 K 3.8042 8.2460 127.6089 60.8958 32.2488 177.7854 16 S 4.1822 8.0249 114.4974 61.3996 61.5958 176.3991 17 L 4.0238 7.9129 121.2741 57.9746 41.5367 179.4855 18 L 4.5475 8.2082 118.8856 57.7806 41.3175 179.5333 19 L 4.6816 7.8915 119.3541 56.8931 41.5803 179.0680 20 L 4.1024 7.6671 118.3866 57.2692 41.5327 178.5510 21 A 4.6515 7.2813 119.8096 52.8314 19.5870 176.7819 22 D 4.4381 7.9634 117.1577 52.7130 42.6706 173.7690 23 P 4.4460 0.0000 0.0000 63.5809 31.6594 176.3622 24 S 4.7531 8.3543 114.7876 56.4549 63.2267 174.3205 25 E 3.9984 8.9079 128.7658 59.5428 29.1703 179.5032 26 R 3.9165 7.9090 115.6149 59.1446 29.1655 178.8610 27 Q 3.8777 7.9951 118.6499 58.7575 28.6841 178.3800 28 I 2.4941 7.6538 120.5619 64.0406 37.1538 178.1618 29 A 3.8711 8.0724 121.7416 55.4142 17.9836 179.8178 30 T 3.7551 7.4318 114.1978 66.9567 68.6605 176.3288 31 Y 4.3428 7.0937 118.2690 59.2030 38.0870 177.8690 32 V 3.7107 7.6895 120.2583 66.0572 31.6948 177.5598 33 Q 4.1271 7.9497 116.8889 58.8977 28.6686 178.4626 34 R 4.3649 7.8079 117.3442 58.2376 30.8311 176.0063 35 G 4.4165 8.0547 105.6890 44.3395 0.0000 172.1273 36 L 4.8308 8.9738 120.0641 53.3130 44.8662 175.9739 37 T 4.9498 8.3098 120.7713 61.9793 71.0241 173.1332 38 Y 4.8657 8.7631 124.0505 55.9498 41.3366 174.7346 39 V 4.7826 8.8631 123.3541 60.9979 34.6731 174.0033 40 A 5.0157 8.6879 129.5317 51.0281 20.3958 176.3404 41 K 5.1593 9.3512 121.4634 54.6373 36.8786 175.2269 42 Q 4.4921 8.8064 123.3129 54.9000 32.4435 175.2234 43 G 3.8215 9.9506 115.1469 46.6868 0.0000 174.2383 44 G 3.8956 8.5539 105.9065 44.9714 0.0000 173.8042 45 S 4.6727 7.5843 115.0101 55.8109 64.0098 173.3855 46 V 4.1388 8.4054 128.0245 63.1076 31.7695 175.1846 47 I 4.5523 8.5977 119.3420 60.2409 39.6890 174.8490 48 G 4.4821 7.8569 108.7547 46.3819 0.0000 172.4826 49 V 5.1887 8.1709 118.0034 60.9865 34.4858 172.0999 50 Y 5.5206 8.7778 119.8579 55.7179 41.7885 173.6480 51 V 4.9731 8.9952 120.7929 61.3203 34.5390 174.1705 52 L 5.0399 9.5049 127.9815 53.1911 44.2150 175.2425 53 L 4.9777 8.5890 124.2917 53.0748 44.8597 175.4326 54 E 4.2456 8.9867 128.0882 57.7198 30.1342 174.1433 55 T 4.1566 9.1299 116.4961 61.7450 69.2023 176.9115 56 R 4.1489 8.9714 119.3771 54.4913 31.5683 173.9016 57 P 4.3872 0.0000 0.0000 64.4002 31.7408 176.6514 58 K 3.8916 8.9434 120.8388 57.6276 29.6733 174.9610 59 T 5.6478 7.3398 114.9200 60.5255 71.9511 172.1718 *61 E 4.5292 8.2760 121.2120 56.5997 30.8509 175.5663 62 I 4.7405 8.3726 126.9221 60.0550 38.7683 174.7470 *64 N 4.5439 8.4198 121.0239 53.8082 40.3761 173.0296 65 I 5.1327 8.2510 124.6570 60.0412 41.1272 173.4308 66 A 4.8507 9.2779 130.2443 50.4696 22.9245 174.7255 67 V 4.8620 8.2767 119.0600 60.4214 34.7410 175.1636 68 A 4.0225 8.7702 128.0674 52.6064 18.7813 178.3303 69 E 3.8674 9.2256 121.8029 59.9683 29.5885 178.3493 70 H 4.5301 8.2442 110.1740 56.5388 29.0285 175.3809 71 L 4.5646 7.5780 119.5011 54.6027 41.8932 176.6326 72 Q 4.0561 7.7834 117.9384 57.0785 29.1728 176.4373 73 G 3.9068 8.8396 108.2600 46.0694 0.0000 174.1216 74 K 4.3556 8.1594 115.9519 55.7582 33.0441 176.7775 75 G 3.9487 8.3015 107.3225 46.2600 0.0000 175.7095 76 I 4.0648 7.8378 122.8169 63.5060 37.2175 178.0267 77 G 3.7947 8.1251 106.2645 47.9189 0.0000 175.1253 78 K 3.9297 8.1604 122.2652 59.0956 32.0568 178.5468 79 K 4.1115 7.7378 116.9869 59.2146 32.7082 179.2496 80 L 4.1191 8.3129 121.1355 57.6993 41.4893 179.1040 81 L 3.8471 8.0768 118.9833 58.0747 41.6622 179.8207 82 R 3.8772 8.1399 117.8597 59.5352 29.8617 178.7236 83 H 4.1080 8.0824 117.8628 59.0181 29.9458 176.9765 84 A 3.6272 7.9098 124.3764 54.3529 17.9851 179.7770 85 V 3.4465 7.9167 116.8371 66.1050 31.6266 177.8594 86 E 3.8507 8.0941 119.0174 59.5341 29.4628 179.0042 87 T 3.7906 8.1403 115.9131 66.3647 68.2856 176.6648 88 A 4.0643 7.8342 121.5051 55.1438 18.8887 179.0227 89 K 4.0208 8.2263 118.4078 59.9119 31.9782 179.1289 90 G 3.5704 7.9640 104.3155 47.3075 0.0000 174.4555 91 Y 4.6010 7.6489 116.7460 57.5300 38.8921 175.0597 92 G 3.6844 7.5536 108.8980 46.0391 0.0000 173.0819 *94 S 4.5309 8.1157 121.5586 57.8200 66.1570 173.3610 95 K 4.7691 8.0844 119.9894 54.5017 36.1724 174.5450 96 L 5.0542 8.5727 128.1552 53.3631 44.9128 174.7341 97 E 5.5308 8.7949 124.8871 54.9360 33.4025 175.1187 98 V 4.4625 8.4530 120.1507 60.3969 34.9163 173.3432 99 G 4.3616 8.3886 109.4097 44.9079 0.0000 171.5752 100 T 4.9296 8.6894 115.9574 59.8422 71.3620 173.6176 101 G 3.8564 8.7091 112.0443 45.9442 0.0000 174.4808 102 N 4.4857 8.5688 118.7455 55.3120 37.3729 176.5240 103 S 4.2805 7.7597 111.4564 59.6856 64.3596 175.4008 104 S 4.4097 7.4818 120.4554 57.7552 59.0487 175.1161 105 V 3.5656 7.3586 117.9867 64.2337 31.8771 178.5936 106 S 4.0195 7.8647 114.6241 61.5689 62.6962 176.4393 107 Q 3.3656 7.7249 120.1147 58.7067 28.2965 178.5869 108 L 3.8459 7.8433 119.8214 57.7256 41.6669 179.4692 109 A 3.9922 8.0119 120.5276 55.0505 18.3738 179.4023 110 L 3.8715 8.0403 119.0569 58.6436 42.2103 178.7012 111 Y 4.5743 8.3950 117.1254 61.5146 37.7770 178.8738 112 Q 4.9876 8.0502 120.3629 58.3420 28.6242 178.5192 113 K 4.0382 8.0554 119.9849 59.3848 32.3329 177.8281 114 C 4.4744 8.0408 114.4953 59.6926 28.4442 174.1778 115 G 3.9902 7.8261 108.3448 44.8789 0.0000 174.1880 116 F 4.5402 8.6126 119.9412 57.1922 40.4038 174.3649 117 R 5.0174 8.9315 123.6071 54.2390 32.5000 175.1032 118 I 4.4163 8.6341 127.5770 61.8309 37.0047 175.6469 119 F 4.9973 9.1267 121.1826 57.1061 40.2176 174.3937 120 S 4.4671 6.9336 112.2600 57.4263 66.0693 172.7320 121 I 4.4887 7.7446 121.4972 59.5105 40.0950 175.4901 122 D 4.6179 8.2472 126.8785 52.4055 41.3261 175.6067 123 F 4.4773 8.4582 122.4037 58.7258 39.7466 175.3472 124 D 4.6995 10.1482 123.3815 55.4484 39.0318 175.0041 125 Y 4.0339 7.8373 121.3294 60.9730 38.9488 179.0408 126 F 4.6072 8.2710 117.6260 60.5918 39.3699 178.0847 127 S 4.2649 8.4627 116.1913 61.0294 62.7370 174.9417 128 K 4.5268 8.0230 117.5831 56.9886 32.6147 176.9419 129 H 4.2893 7.5516 116.8520 56.0255 31.0318 173.5887 130 Y 4.7883 7.6783 115.9531 55.7771 41.1893 174.8320 131 E 4.0558 9.2612 125.9536 59.0272 30.0289 176.5706 132 E 4.3984 7.9442 117.8414 54.7109 30.7395 175.1190 133 E 4.1787 8.7074 126.4784 56.6657 30.6840 175.6385 134 I 4.5307 8.3805 126.3859 59.5962 39.9839 174.4106 135 I 5.0090 8.2839 126.5066 59.5138 40.2907 174.7593 136 E 4.5629 8.9769 126.1842 55.8501 32.3660 175.7298 137 N 4.2058 9.9327 119.0609 54.3092 36.3616 175.3037 138 G 3.9199 8.4992 103.0886 45.5792 0.0000 173.8500 139 I 4.4137 7.9414 121.1738 58.6672 39.4055 175.3346 140 V 3.8382 8.2990 125.1268 63.0629 31.6708 175.2700 141 C 4.1941 8.8240 129.0368 58.7172 30.1748 171.9892 142 R 4.7021 8.9129 126.5107 57.1738 32.7636 173.8828 143 D 5.5361 8.8083 119.7532 54.2603 45.0413 176.5657 *145 I 4.0120 8.2757 125.5461 62.2785 39.0314 174.3901 146 R 4.6289 8.2415 126.0205 54.4696 32.0741 175.5153 147 L 5.5535 9.1103 122.9074 53.5509 46.1544 175.9599 148 A 5.6655 8.8857 121.0239 51.1590 22.6649 174.1045 *150 E 4.3087 8.6790 113.3752 56.6797 30.4899 176.0030 151 L 4.6664 8.9475 124.6049 53.2473 44.3520 176.6398 152 N 4.5211 8.2358 116.7578 53.7108 39.6383 174.6465 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 N 8.42 4.70 0.00 2.74 2.96 0.00 0.00 6.91 6.46 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 A 7.93 4.07 1.30 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 2 S 8.45 3.51 0.00 4.23 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 3 V 8.23 3.98 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 0.82 0.00 0.00 0.95 0.00 0.00 4 V 9.03 4.42 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 0.83 0.00 0.00 1.00 0.00 0.00 5 I 8.49 5.03 1.56 0.00 0.00 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 1.36 0.77 0.88 0.00 0.00 6 E 9.27 4.92 0.00 1.85 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 0.00 2.28 2.28 0.00 7 R 8.84 3.79 0.00 1.31 1.71 0.00 2.39 0.00 0.00 2.88 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.45 0.00 8 I 7.85 4.57 1.81 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.79 0.86 0.00 0.00 9 P 0.00 4.40 0.00 2.17 1.98 0.00 3.56 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 2.08 2.04 0.00 10 K 8.50 4.02 0.00 1.84 1.93 0.00 1.56 0.00 0.00 1.89 0.00 0.00 3.10 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.42 7.81 11 E 8.14 4.00 0.00 2.09 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 0.00 2.26 2.29 0.00 12 A 7.75 4.50 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 13 I 7.63 3.74 1.88 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 1.61 0.63 0.93 0.00 0.00 14 P 0.00 4.56 0.00 2.31 2.26 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.02 0.00 15 K 8.25 3.80 0.00 1.84 1.88 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.53 1.56 7.81 16 S 8.02 4.18 0.00 3.92 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 17 L 7.91 4.02 0.00 1.89 1.76 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.21 4.55 0.00 1.91 1.82 0.98 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.89 4.68 0.00 1.80 1.76 1.03 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.67 4.10 0.00 1.84 1.76 0.98 1.05 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 21 A 7.28 4.65 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.96 4.44 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 23 P 0.00 4.45 0.00 2.08 2.05 0.00 3.16 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.91 0.00 24 S 8.35 4.75 0.00 4.11 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 0.00 25 E 8.91 4.00 0.00 2.05 1.97 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 2.40 2.38 0.00 26 R 7.91 3.92 0.00 1.96 2.16 0.00 3.10 0.00 0.00 3.31 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 27 Q 8.00 3.88 0.00 2.32 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 28 I 7.65 2.49 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.85 0.86 0.00 0.00 29 A 8.07 3.87 1.30 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 30 T 7.43 3.76 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 1.23 0.00 0.00 31 Y 7.09 4.34 0.00 3.20 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 32 V 7.69 3.71 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 0.85 0.00 0.00 1.04 0.00 0.00 33 Q 7.95 4.13 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.70 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 34 R 7.81 4.36 0.00 1.80 2.01 0.00 3.15 0.00 0.00 3.26 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 35 G 8.05 4.42 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 0.00 36 L 8.97 4.83 0.00 1.71 1.77 0.87 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.31 4.95 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 38 Y 8.76 4.87 0.00 1.53 2.47 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 39 V 8.86 4.78 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 1.04 0.00 0.00 0.90 0.00 0.00 40 A 8.69 5.02 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 41 K 9.35 5.16 0.00 1.63 1.67 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.76 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.35 7.81 42 Q 8.81 4.49 0.00 2.03 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.28 0.00 0.00 0.00 0.00 0.00 2.25 2.45 0.00 43 G 9.95 3.82 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 0.00 0.00 0.00 44 G 8.55 3.90 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 0.00 45 S 7.58 4.67 0.00 3.89 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 0.00 46 V 8.41 4.14 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 0.89 0.00 0.00 0.94 0.00 0.00 47 I 8.60 4.55 1.87 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 1.26 1.05 0.99 0.00 0.00 48 G 7.86 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.17 5.19 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 0.80 0.00 0.00 1.03 0.00 0.00 50 Y 8.78 5.52 0.00 3.14 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 51 V 9.00 4.97 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 1.11 0.00 0.00 1.10 0.00 0.00 52 L 9.50 5.04 0.00 1.80 1.65 1.09 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.59 4.98 0.00 1.59 1.48 0.96 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.99 4.25 0.00 1.96 1.81 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 2.27 2.40 0.00 55 T 9.13 4.16 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 1.27 0.00 0.00 56 R 8.97 4.15 0.00 1.89 1.90 0.00 3.14 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 57 P 0.00 4.39 0.00 2.03 2.02 0.00 3.81 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 2.03 2.12 0.00 58 K 8.94 3.89 0.00 1.97 1.96 0.00 1.60 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.44 7.81 59 T 7.34 5.65 4.38 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 1.20 0.00 0.00 *61 E 8.28 4.53 0.00 2.06 1.81 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 2.17 2.33 0.00 62 I 8.37 4.74 1.60 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.27 0.84 0.00 0.00 *64 N 8.42 4.54 0.00 2.82 2.82 0.00 0.00 6.27 7.80 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 65 I 8.25 5.13 1.92 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 1.38 1.11 1.01 0.00 0.00 66 A 9.28 4.85 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 67 V 8.28 4.86 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 0.96 0.00 0.00 68 A 8.77 4.02 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 69 E 9.23 3.87 0.00 2.01 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 2.34 2.35 0.00 70 H 8.24 4.53 0.00 3.28 3.40 0.00 5.49 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 7.58 4.56 0.00 1.65 1.63 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 7.78 4.06 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.16 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 73 G 8.84 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 74 K 8.16 4.36 0.00 1.88 1.81 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.55 7.81 75 G 8.30 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 76 I 7.84 4.06 1.89 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 1.59 0.72 0.95 0.00 0.00 77 G 8.13 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 0.00 0.00 0.00 78 K 8.16 3.93 0.00 1.86 1.99 0.00 1.73 0.00 0.00 1.89 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.55 7.81 79 K 7.74 4.11 0.00 2.11 2.07 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.68 1.51 7.81 80 L 8.31 4.12 0.00 1.96 1.88 1.09 0.82 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 81 L 8.08 3.85 0.00 2.08 1.78 0.77 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.14 3.88 0.00 1.83 1.98 0.00 3.29 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.80 0.00 83 H 8.08 4.11 0.00 3.32 3.55 0.00 5.60 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 A 7.91 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.92 3.45 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 0.88 0.00 0.00 0.88 0.00 0.00 86 E 8.09 3.85 0.00 2.01 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 0.00 2.21 2.28 0.00 87 T 8.14 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 1.25 0.00 0.00 88 A 7.83 4.06 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 89 K 8.23 4.02 0.00 2.02 1.79 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.44 7.81 90 G 7.96 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.65 4.60 0.00 3.26 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.55 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 0.00 0.00 0.00 *94 S 8.12 4.53 0.00 3.79 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 95 K 8.08 4.77 0.00 1.75 1.53 0.00 1.49 0.00 0.00 1.50 0.00 0.00 2.83 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.28 1.29 7.81 96 L 8.57 5.05 0.00 1.77 1.47 0.94 0.99 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 97 E 8.79 5.53 0.00 1.96 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 0.00 2.36 2.29 0.00 98 V 8.45 4.46 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 -0.73 0.00 0.00 0.23 0.00 0.00 99 G 8.39 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 0.00 0.00 0.00 0.00 100 T 8.69 4.93 4.48 0.00 0.00 0.00 0.00 0.00 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 0.00 101 G 8.71 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 0.00 102 N 8.57 4.49 0.00 2.88 2.97 0.00 0.00 6.95 7.19 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 0.00 103 S 7.76 4.28 0.00 4.06 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 0.00 104 S 7.48 4.41 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 0.00 105 V 7.36 3.57 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 0.77 0.00 0.00 0.88 0.00 0.00 106 S 7.86 4.02 0.00 3.76 3.82 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 0.00 107 Q 7.72 3.37 0.00 1.92 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.87 0.00 0.00 0.00 0.00 0.00 2.04 2.22 0.00 108 L 7.84 3.85 0.00 1.76 1.69 0.88 1.06 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 0.00 109 A 8.01 3.99 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 0.00 110 L 8.04 3.87 0.00 1.71 1.63 0.96 0.84 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 0.00 111 Y 8.39 4.57 0.00 2.94 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 0.00 112 Q 8.05 4.99 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.65 2.48 0.00 113 K 8.06 4.04 0.00 2.03 1.88 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.50 7.81 114 C 8.04 4.47 0.00 3.45 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 0.00 115 G 7.83 3.99 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 0.00 0.00 0.00 116 F 8.61 4.54 0.00 3.19 3.01 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 0.00 0.00 0.00 117 R 8.93 5.02 0.00 1.90 1.83 0.00 3.12 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 118 I 8.63 4.42 1.90 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 1.42 0.71 0.87 0.00 0.00 119 F 9.13 5.00 0.00 2.90 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 0.00 120 S 6.93 4.47 0.00 3.57 3.04 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 0.00 121 I 7.74 4.49 1.04 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.56 0.06 0.00 0.00 122 D 8.25 4.62 0.00 2.39 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 0.00 123 F 8.46 4.48 0.00 3.09 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 0.00 124 D 10.15 4.70 0.00 2.93 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 0.00 125 Y 7.84 4.03 0.00 3.07 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 0.00 126 F 8.27 4.61 0.00 3.53 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 0.00 127 S 8.46 4.26 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 0.00 128 K 8.02 4.53 0.00 1.75 1.84 0.00 1.52 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.62 1.30 7.81 129 H 7.55 4.29 0.00 2.46 2.04 0.00 5.79 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 Y 7.68 4.79 0.00 3.17 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 0.00 131 E 9.26 4.06 0.00 1.96 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 0.00 2.32 2.32 0.00 132 E 7.94 4.40 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 2.28 2.31 0.00 133 E 8.71 4.18 0.00 2.05 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 2.30 2.38 0.00 134 I 8.38 4.53 1.73 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.62 0.74 0.00 0.00 135 I 8.28 5.01 1.84 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 1.33 0.59 0.88 0.00 0.00 136 E 8.98 4.56 0.00 1.86 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 0.00 2.12 2.11 0.00 137 N 9.93 4.21 0.00 2.76 2.83 0.00 0.00 7.09 7.65 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 0.00 138 G 8.50 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 0.00 0.00 0.00 139 I 7.94 4.41 1.89 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.96 0.89 0.00 0.00 140 V 8.30 3.84 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 0.78 0.00 0.00 0.93 0.00 0.00 141 C 8.82 4.19 0.00 2.68 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 0.00 142 R 8.91 4.70 0.00 1.92 1.97 0.00 3.24 0.00 0.00 3.44 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 143 D 8.81 5.54 0.00 2.54 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 0.00 0.00 0.00 0.00 *145 I 8.28 4.01 1.89 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.84 0.84 0.00 0.00 146 R 8.24 4.63 0.00 0.67 1.20 0.00 2.96 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.29 0.00 147 L 9.11 5.55 0.00 1.55 1.80 1.01 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 148 A 8.89 5.67 1.11 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 *150 E 8.68 4.31 0.00 1.82 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 2.14 2.24 0.00 151 L 8.95 4.67 0.00 1.43 1.52 0.91 1.07 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 0.00 152 N 8.24 4.52 0.00 2.61 2.61 0.00 0.00 6.79 7.56 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 * Residues marked with a * may have inaccurate shift predictions.