NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4137 8.3144 120.0786 56.2755 33.8202 174.5189 3 L 4.1741 8.5750 128.7689 53.0879 43.0617 173.9567 4 Q 4.4555 8.6546 126.7038 55.7460 29.9727 175.3850 5 V 4.0408 8.0630 124.7804 61.6267 32.4157 175.0894 6 L 4.8737 8.0599 127.0418 51.7867 45.3875 174.0757 7 P 4.5961 0.0000 0.0000 63.2445 31.8206 176.0889 8 L 3.9930 8.6999 127.6756 54.9994 42.5797 176.3920 9 S 4.6260 8.0702 119.3823 55.4205 66.4941 174.3676 10 Q 3.9472 8.8175 122.7957 59.8418 28.4522 179.0154 11 E 3.9782 8.1047 117.1920 59.3539 29.6356 178.7459 12 A 4.2768 7.9643 119.8725 54.2769 18.8294 178.5398 13 F 4.5511 8.1523 118.1711 59.2152 39.4580 177.6460 14 S 4.4008 7.9740 114.5262 61.3744 62.7392 176.0347 15 A 3.8871 7.7410 122.4621 53.9799 18.2891 177.8459 16 Y 4.5736 8.0296 114.9219 58.9001 39.5736 175.9946 17 G 3.7332 6.6267 107.3859 46.0802 0.0000 170.7019 18 D 5.1094 8.2941 121.3667 52.4730 45.2205 175.2224 19 V 4.1305 8.3856 121.7549 62.0112 32.7550 175.0849 20 I 4.3704 8.2113 129.9033 60.5663 38.3242 174.7396 21 E 4.9182 8.2128 123.8513 56.6252 31.4472 175.4852 22 T 3.9719 7.8676 108.6127 61.9888 70.5235 174.7578 23 Q 4.0200 7.8775 120.0461 57.5511 28.5960 175.9837 24 Q 3.6032 8.8128 119.3020 56.5775 26.6150 173.2662 25 R 4.5844 7.9415 116.6640 54.6130 30.5616 176.1762 26 D 4.5895 8.4940 121.5038 54.7173 41.9349 175.3508 27 F 4.9169 7.7809 116.2423 55.2087 41.7613 173.2883 28 F 5.0474 8.7112 117.7148 56.1239 41.0946 175.1665 29 H 5.0253 9.0263 120.9779 55.7058 29.3189 174.7372 30 I 4.4604 9.1937 124.6980 59.5114 40.5129 175.1222 31 N 4.2385 8.6654 121.2667 57.4229 37.6092 175.0968 32 N 3.9949 8.8977 111.8945 54.7245 36.0962 176.4896 33 G 4.2052 8.0908 105.7331 46.0677 0.0000 172.7968 34 L 4.0684 7.5814 118.8036 57.2061 42.0221 177.6854 35 V 4.4843 8.1125 117.6398 60.9141 34.7494 174.3933 36 E 4.8487 8.8115 126.7690 54.8503 31.0400 175.7560 37 R 4.3042 8.9875 127.4879 55.2488 30.8767 174.8988 38 Y 4.7380 8.6755 125.4196 57.5717 37.0363 175.0127 39 H 4.6847 8.1147 117.0234 54.5691 30.7053 174.4951 40 D 4.4950 8.7094 115.9872 55.5813 38.1785 175.7000 41 L 4.1116 8.1844 120.1008 57.5701 42.0964 177.4888 42 A 4.6092 7.5256 117.8851 50.7794 21.9000 174.6826 43 L 4.6308 8.2540 121.5398 52.9338 44.0325 176.1349 44 V 3.8513 8.3788 126.5813 62.8000 32.5088 175.3123 45 E 4.5976 9.4280 127.7796 54.3799 31.5384 173.9897 46 I 4.4996 8.0118 123.4605 59.3443 39.4654 175.5562 47 L 4.1490 8.1016 128.5760 57.2209 41.9231 178.3292 48 E 4.0894 7.9390 117.5157 56.3507 29.8749 176.9337 49 Q 4.1135 8.7081 124.1901 58.1713 29.4501 175.9787 50 D 4.9454 7.9943 115.8746 53.3264 39.9735 176.4583 51 R 4.5648 7.8833 115.4396 56.9605 32.5896 175.2612 52 T 4.3191 8.0532 117.0298 62.5404 68.4482 173.6255 53 L 4.8276 8.5715 126.4885 52.7350 44.9956 175.5921 54 I 5.0363 8.3036 123.4218 59.9550 39.0917 174.9268 55 S 4.7690 9.0454 120.0477 57.2604 67.2726 172.4764 56 I 5.0453 8.3032 119.7730 59.5787 40.1356 174.9676 57 N 4.9385 9.3242 124.3664 51.5937 40.9244 173.8284 58 R 4.9230 8.8033 125.3343 55.1407 31.0165 174.9434 59 A 4.9312 8.9097 129.3519 50.0760 21.7751 175.8348 60 Q 4.5585 8.6898 120.9094 54.9560 30.3652 173.8542 61 P 4.9649 0.0000 0.0000 62.6515 32.1577 176.0986 62 A 4.2935 8.8112 124.8172 51.8885 19.2470 176.9383 63 N 4.5099 8.6189 117.7065 52.5821 39.5657 174.9336 64 L 4.8754 8.0333 122.7235 52.7984 42.6969 174.5469 65 P 4.3311 0.0000 0.0000 63.0613 31.9596 175.1986 66 L 4.4482 8.6074 123.5131 54.3633 43.3882 174.7634 67 T 5.1986 8.5130 121.0112 60.1674 70.0309 172.7597 68 I 4.8216 9.0643 121.6461 59.5942 41.2564 175.9367 69 H 5.2109 8.4197 114.9731 56.1999 31.4439 171.9953 70 E 5.1627 7.8153 115.5253 55.7624 32.5041 174.0539 71 L 5.0954 8.9085 119.4367 53.1213 46.6048 175.3241 72 E 5.5077 9.3510 119.4042 54.9396 33.2364 174.7861 73 R 4.6103 8.5544 115.5392 55.2327 33.5621 173.8592 74 H 4.9745 8.4684 117.5110 53.5244 30.2562 173.0827 75 P 4.4446 0.0000 0.0000 64.1169 31.3992 177.6953 76 L 4.4558 7.6294 116.3599 54.4505 42.7514 175.5579 77 G 4.7788 7.2260 104.4089 45.1626 0.0000 173.2771 78 T 4.6111 8.5406 111.4478 61.6705 70.3634 173.7652 79 Q 4.4281 8.7708 122.4494 54.8492 32.4165 172.9716 80 A 5.0908 8.7452 128.9182 50.1555 22.1634 175.1115 81 F 5.5179 9.0807 119.4929 55.8334 43.0922 174.1658 82 I 4.9619 9.2198 124.4324 58.8782 40.4394 174.7056 83 P 4.1900 0.0000 0.0000 61.7497 31.5217 176.6500 *85 K 3.9993 8.4317 115.2029 56.9366 33.2612 175.8889 86 G 4.0144 8.3542 103.4950 45.9110 0.0000 174.3787 87 E 4.2653 7.8197 118.5543 55.6610 30.7534 176.7644 88 V 4.0852 8.4729 123.4042 63.2578 32.6852 174.6570 89 F 5.1355 8.8944 120.6332 55.9093 42.0240 172.7272 90 V 4.6338 8.2338 117.9333 61.1118 34.0226 174.8092 91 V 4.7890 8.8023 119.5512 59.6427 36.2433 174.6827 92 V 4.9402 8.4781 121.3897 61.5437 34.7608 174.5843 93 V 5.2550 9.1118 119.8915 60.1112 35.9945 174.1617 94 A 5.1867 8.9238 122.5026 51.3239 23.2745 176.6141 95 L 4.7817 9.0947 120.6394 52.9332 44.9388 174.5631 96 G 4.5489 8.9831 106.2141 45.5881 0.0000 173.5073 97 D 4.5700 8.4271 126.5387 56.8063 41.5544 177.2822 98 D 4.7658 7.9898 120.5251 56.2499 41.9385 177.0236 99 K 4.3409 7.6752 116.1360 53.4098 36.2293 173.5547 100 P 3.6946 0.0000 0.0000 63.0362 31.5106 176.1095 101 D 4.5354 9.1191 124.0699 52.9531 40.2119 176.5227 102 L 4.1341 8.4115 128.3605 57.5697 41.8158 179.7548 103 S 4.3010 8.0126 111.8413 60.1903 62.9769 174.6075 104 T 4.5723 7.9663 110.8916 61.4087 69.5098 174.4567 105 L 4.4117 7.6624 126.0810 55.4829 42.5326 176.2766 106 R 4.6171 9.0641 124.5899 54.2199 35.0343 173.9820 107 A 5.0496 7.8530 122.1017 50.1796 22.2427 175.2215 108 F 5.2935 9.2035 119.1797 55.6483 43.8263 173.6509 109 I 4.7165 8.6651 121.7721 59.3610 40.6668 175.3786 110 T 4.6212 8.2186 120.0218 60.8821 70.2218 174.1015 111 N 4.6257 9.1567 117.4386 52.4553 37.5582 176.1934 112 G 4.0231 8.3062 108.6175 44.9322 0.0000 174.4112 113 E 4.8004 8.6776 117.7922 55.9591 30.4211 175.7363 114 Q 4.8228 8.1291 117.8815 54.1486 32.4307 174.8528 115 G 4.4612 9.0076 109.7995 44.6627 0.0000 172.0542 116 V 4.7671 8.7173 111.3532 59.3626 36.4230 175.0787 117 N 5.1257 8.9535 121.7412 51.7853 41.4346 173.0246 118 Y 4.6210 8.6493 125.7344 58.0504 39.1034 176.0153 119 H 4.7023 9.0689 121.5704 55.5552 30.3163 175.3706 120 R 4.2043 8.3452 118.7331 57.4304 30.3881 177.0245 121 N 4.2335 8.9789 119.2451 53.2106 38.8083 173.5639 122 V 3.9227 7.2522 117.3415 62.8024 32.3833 175.8289 123 W 4.6810 8.4398 128.2634 57.4616 30.2167 174.9740 124 H 5.8088 9.1704 118.8921 55.3517 32.0028 171.8022 125 H 4.7647 8.7817 118.7774 54.6423 30.5802 172.9815 126 P 4.2235 0.0000 0.0000 62.5487 31.8027 175.9267 127 L 3.7431 8.4293 123.5854 55.5507 42.3266 176.0914 128 F 5.1939 7.8832 119.1001 55.4036 41.4593 173.6813 129 A 4.8659 9.1596 122.4705 50.8693 21.6750 175.6747 130 W 5.0233 8.6279 128.3003 57.1009 32.5195 175.9625 131 Q 3.7159 9.4550 132.4793 56.9190 27.1624 174.4505 132 R 4.7593 8.0297 114.8625 54.6723 33.8235 177.7133 133 V 3.9272 8.4400 120.0405 64.2377 32.2316 175.4755 134 T 4.5444 8.6808 123.1730 61.8177 72.5604 172.4159 135 D 5.0812 8.3881 125.2390 53.1162 43.0452 175.1765 136 F 4.9804 9.1558 123.0079 55.2690 41.5020 174.8833 137 L 4.5085 9.0843 127.7765 55.5502 43.2280 175.8037 138 T 5.6614 9.0555 122.2708 60.7931 72.4327 172.9383 139 I 4.9407 7.8222 125.8783 60.0661 40.6967 174.1192 140 D 4.8824 8.3950 125.9114 52.8645 42.6677 176.6380 141 R 4.5983 8.2802 116.2532 56.5275 30.1190 178.3776 142 G 3.7400 8.9159 108.6125 45.0438 0.0000 173.7237 143 G 3.9619 8.5229 108.7559 45.2807 0.0000 173.6083 144 S 4.7084 8.3988 111.4057 58.0368 63.0556 174.4749 145 D 4.5267 8.0791 123.5546 53.6906 40.2613 175.9776 146 N 4.6077 8.2165 113.5704 53.4300 34.8638 173.9990 147 C 4.7996 7.3666 120.5512 58.3257 33.3436 172.9096 148 D 4.8266 8.6642 126.9725 53.5293 42.2037 175.7235 149 V 4.9994 8.4544 122.0569 61.2332 34.5094 174.4920 150 E 4.7507 9.5017 126.9379 54.2256 33.3529 175.0630 151 S 4.7690 8.9767 119.5454 59.2147 63.3514 173.5625 152 I 4.6355 8.7079 115.4600 57.9700 40.8701 173.2525 153 P 4.3229 0.0000 0.0000 62.4414 31.5865 176.2829 154 E 4.4407 8.7976 125.7120 57.1100 30.2342 175.8082 155 Q 4.6530 9.0560 122.7947 55.1079 32.6817 172.4485 156 E 5.0365 8.5552 121.6530 54.4452 31.8938 174.8624 157 L 4.4727 8.9585 127.9092 54.7571 42.6971 175.9358 158 C 4.6910 8.5007 123.1509 57.3394 34.2654 174.1071 159 F 4.8884 8.8383 123.4916 57.0891 39.1535 175.5627 160 A 4.2339 8.1640 129.5441 52.8080 18.0739 178.2809 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 2 K 8.31 4.41 0.00 1.62 1.79 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.43 7.81 3 L 8.57 4.17 0.00 1.71 1.43 0.83 0.24 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 4 Q 8.65 4.46 0.00 1.87 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.57 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 5 V 8.06 4.04 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 0.64 0.00 0.00 0.12 0.00 0.00 6 L 8.06 4.87 0.00 1.74 1.57 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.60 0.00 1.96 2.02 0.00 3.72 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 8 L 8.70 3.99 0.00 1.49 1.49 0.03 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.07 4.63 0.00 4.01 3.84 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 10 Q 8.82 3.95 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.54 0.00 11 E 8.10 3.98 0.00 1.98 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 2.32 2.44 0.00 12 A 7.96 4.28 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 13 F 8.15 4.55 0.00 2.83 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 14 S 7.97 4.40 0.00 4.00 4.19 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 15 A 7.74 3.89 0.73 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 0.00 0.00 16 Y 8.03 4.57 0.00 2.07 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 17 G 6.63 3.73 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 0.00 0.00 0.00 18 D 8.29 5.11 0.00 2.60 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 19 V 8.39 4.13 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 0.57 0.00 0.00 0.59 0.00 0.00 20 I 8.21 4.37 1.85 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 1.27 0.56 0.90 0.00 0.00 21 E 8.21 4.92 0.00 1.98 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 2.01 2.13 0.00 22 T 7.87 3.97 2.80 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 0.63 0.00 0.00 23 Q 7.88 4.02 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.69 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 24 Q 8.81 3.60 0.00 2.23 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.85 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 25 R 7.94 4.58 0.00 2.15 1.96 0.00 3.34 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.90 0.00 26 D 8.49 4.59 0.00 2.43 2.38 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 27 F 7.78 4.92 0.00 2.22 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 28 F 8.71 5.05 0.00 3.03 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 29 H 9.03 5.03 0.00 3.11 3.36 0.00 5.64 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 9.19 4.46 2.04 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 1.38 1.17 0.94 0.00 0.00 31 N 8.67 4.24 0.00 2.85 2.86 0.00 0.00 7.31 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 32 N 8.90 3.99 0.00 2.88 2.82 0.00 0.00 6.91 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 33 G 8.09 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 0.00 0.00 0.00 0.00 34 L 7.58 4.07 0.00 1.87 1.79 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.11 4.48 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 1.02 0.00 0.00 0.95 0.00 0.00 36 E 8.81 4.85 0.00 1.71 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 0.00 1.94 2.13 0.00 37 R 8.99 4.30 0.00 1.98 2.04 0.00 3.18 0.00 0.00 3.35 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 38 Y 8.68 4.74 0.00 2.92 2.98 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 39 H 8.11 4.68 0.00 3.20 3.38 0.00 5.91 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.71 4.49 0.00 2.83 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 41 L 8.18 4.11 0.00 1.65 1.73 1.05 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.53 4.61 1.25 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 0.00 0.00 43 L 8.25 4.63 0.00 1.57 1.56 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.38 3.85 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 0.82 0.00 0.00 0.92 0.00 0.00 45 E 9.43 4.60 0.00 1.90 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 2.20 2.25 0.00 46 I 8.01 4.50 1.86 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 1.33 0.59 0.90 0.00 0.00 47 L 8.10 4.15 0.00 1.66 1.72 0.91 0.91 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 48 E 7.94 4.09 0.00 1.93 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 2.31 2.36 0.00 49 Q 8.71 4.11 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.50 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 50 D 7.99 4.95 0.00 2.81 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 51 R 7.88 4.56 0.00 1.73 1.90 0.00 3.11 0.00 0.00 3.34 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 52 T 8.05 4.32 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 1.20 0.00 0.00 53 L 8.57 4.83 0.00 1.77 1.52 0.92 0.78 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 54 I 8.30 5.04 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 1.39 0.54 0.92 0.00 0.00 55 S 9.05 4.77 0.00 3.87 3.94 0.00 0.00 0.00 0.00 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5.51 0.00 1.86 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 2.19 1.96 0.00 73 R 8.55 4.61 0.00 1.31 1.13 0.00 2.29 0.00 0.00 2.67 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.74 0.00 74 H 8.47 4.97 0.00 3.17 3.24 0.00 5.62 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 P 0.00 4.44 0.00 1.99 2.10 0.00 3.80 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 76 L 7.63 4.46 0.00 1.69 1.67 0.92 0.97 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 77 G 7.23 4.78 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 78 T 8.54 4.61 4.32 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 1.28 0.00 0.00 79 Q 8.77 4.43 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 80 A 8.75 5.09 1.17 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 0.00 0.00 81 F 9.08 5.52 0.00 2.92 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.22 4.96 1.91 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 1.31 0.77 0.93 0.00 0.00 83 P 0.00 4.19 0.00 2.12 1.48 0.00 3.49 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.21 0.00 *85 K 8.43 4.00 0.00 1.91 1.87 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.34 7.81 86 G 8.35 4.01 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 0.00 0.00 0.00 87 E 7.82 4.27 0.00 1.86 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 2.32 2.33 0.00 88 V 8.47 4.09 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 0.66 0.00 0.00 1.04 0.00 0.00 89 F 8.89 5.14 0.00 3.30 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 90 V 8.23 4.63 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 1.01 0.00 0.00 0.34 0.00 0.00 91 V 8.80 4.79 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 0.66 0.00 0.00 1.09 0.00 0.00 92 V 8.48 4.94 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 1.06 0.00 0.00 1.03 0.00 0.00 93 V 9.11 5.26 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 1.03 0.00 0.00 0.20 0.00 0.00 94 A 8.92 5.19 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 95 L 9.09 4.78 0.00 1.73 1.74 0.80 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.98 4.55 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 0.00 97 D 8.43 4.57 0.00 2.76 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 98 D 7.99 4.77 0.00 2.73 2.79 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 99 K 7.68 4.34 0.00 1.66 1.40 0.00 1.67 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.60 1.45 7.81 100 P 0.00 3.69 0.00 1.65 1.58 0.00 2.99 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.68 0.00 101 D 9.12 4.54 0.00 2.70 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 0.00 102 L 8.41 4.13 0.00 1.67 1.68 0.84 0.74 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 0.00 103 S 8.01 4.30 0.00 3.96 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 0.00 104 T 7.97 4.57 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 1.40 0.00 0.00 105 L 7.66 4.41 0.00 1.65 1.70 0.90 1.03 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 0.00 106 R 9.06 4.62 0.00 1.40 1.00 0.00 3.38 0.00 0.00 3.51 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.56 0.00 107 A 7.85 5.05 1.03 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 0.00 108 F 9.20 5.29 0.00 2.94 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 0.00 109 I 8.67 4.72 1.75 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.48 0.94 0.00 0.00 110 T 8.22 4.62 4.12 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 0.34 0.00 0.00 111 N 9.16 4.63 0.00 2.78 2.89 0.00 0.00 7.16 7.63 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 0.00 112 G 8.31 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 0.00 113 E 8.68 4.80 0.00 1.83 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 2.21 2.35 0.00 114 Q 8.13 4.82 0.00 1.76 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.77 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 115 G 9.01 4.46 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 0.00 116 V 8.72 4.77 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 0.71 0.00 0.00 117 N 8.95 5.13 0.00 2.71 2.66 0.00 0.00 7.39 8.23 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 0.00 118 Y 8.65 4.62 0.00 3.01 2.85 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 0.00 119 H 9.07 4.70 0.00 3.13 3.19 0.00 5.64 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 R 8.35 4.20 0.00 1.78 1.85 0.00 3.34 0.00 0.00 3.95 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 121 N 8.98 4.23 0.00 2.92 2.89 0.00 0.00 6.70 6.99 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 0.00 122 V 7.25 3.92 2.32 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 1.03 0.00 0.00 1.07 0.00 0.00 123 W 8.44 4.68 0.00 3.58 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 0.00 124 H 9.17 5.81 0.00 2.93 3.09 0.00 5.72 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 H 8.78 4.76 0.00 3.35 3.46 0.00 5.77 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 P 0.00 4.22 0.00 2.10 2.02 0.00 3.19 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.21 0.00 127 L 8.43 3.74 0.00 1.14 1.40 -0.86 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 128 F 7.88 5.19 0.00 3.07 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 0.00 129 A 9.16 4.87 1.55 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 0.00 130 W 8.63 5.02 0.00 3.52 3.23 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 0.00 131 Q 9.45 3.72 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.54 0.00 0.00 0.00 0.00 0.00 1.26 1.16 0.00 132 R 8.03 4.76 0.00 1.50 1.62 0.00 3.28 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.44 0.00 133 V 8.44 3.93 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 0.97 0.00 0.00 0.97 0.00 0.00 134 T 8.68 4.54 3.97 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 0.15 0.00 0.00 135 D 8.39 5.08 0.00 2.53 2.55 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 0.00 136 F 9.16 4.98 0.00 2.98 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 0.00 137 L 9.08 4.51 0.00 1.78 1.70 0.94 0.51 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 0.00 138 T 9.06 5.66 4.40 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 1.11 0.00 0.00 139 I 7.82 4.94 1.81 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 1.38 0.68 0.88 0.00 0.00 140 D 8.40 4.88 0.00 2.60 2.55 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 0.00 141 R 8.28 4.60 0.00 1.81 2.03 0.00 3.60 0.00 0.00 3.94 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 142 G 8.92 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 0.00 0.00 0.00 143 G 8.52 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 0.00 144 S 8.40 4.71 0.00 3.86 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 0.00 145 D 8.08 4.53 0.00 2.83 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 0.00 146 N 8.22 4.61 0.00 2.83 2.78 0.00 0.00 6.46 7.66 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 0.00 147 C 7.37 4.80 0.00 2.80 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 0.00 148 D 8.66 4.83 0.00 2.55 2.69 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 0.00 149 V 8.45 5.00 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 0.85 0.00 0.00 0.95 0.00 0.00 150 E 9.50 4.75 0.00 1.31 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 2.32 2.11 0.00 151 S 8.98 4.77 0.00 3.85 3.89 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 0.00 152 I 8.71 4.64 1.79 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 1.19 0.71 0.75 0.00 0.00 153 P 0.00 4.32 0.00 1.93 2.01 0.00 3.64 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 154 E 8.80 4.44 0.00 1.98 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 2.30 2.48 0.00 155 Q 9.06 4.65 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00 156 E 8.56 5.04 0.00 2.05 1.82 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 2.30 2.33 0.00 157 L 8.96 4.47 0.00 1.46 1.05 1.06 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 158 C 8.50 4.69 0.00 2.91 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 0.00 159 F 8.84 4.89 0.00 3.17 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 0.00 160 A 8.16 4.23 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 * Residues marked with a * may have inaccurate shift predictions.