NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 A 4.0879 8.1227 123.5979 51.9161 20.8466 178.5372 10 R 3.7587 8.0661 116.3017 57.5542 30.0414 176.9560 11 F 4.4942 9.0457 112.2363 58.3851 39.1474 175.5036 12 R 4.1204 7.0979 119.4550 56.6864 30.3929 177.7194 13 K 4.0746 7.5506 118.0241 58.6874 32.2580 177.9314 14 V 3.9847 7.5316 117.8018 61.0641 32.5305 176.6661 15 D 4.5826 8.3196 122.9056 52.7746 39.8822 176.6962 16 V 3.7937 8.1116 124.7235 65.4682 31.8556 176.7023 17 D 4.4149 8.0696 118.0316 57.1391 40.3919 178.0578 18 E 3.8354 7.7805 118.5976 58.3754 29.2527 177.3276 19 Y 4.7326 6.9872 116.2591 58.0480 38.6908 176.2175 20 D 4.5429 7.9039 121.6981 54.2883 40.4366 181.1177 21 E 4.6949 8.6082 120.6909 55.6861 30.0485 177.1058 22 N 5.0229 7.8280 112.3179 53.2539 41.1643 176.2764 23 K 4.3858 7.8648 119.8919 56.2422 33.1857 176.3392 24 F 4.3058 8.6596 127.9017 58.1431 40.0527 174.5561 25 V 4.1809 6.6477 125.3615 60.8289 35.0206 175.7244 26 D 4.5614 7.9930 126.5711 53.8719 39.9891 177.2512 *35 A 4.0937 8.5919 128.4850 53.2724 19.6408 176.4989 36 G 3.9687 7.9321 105.2185 45.5296 0.0000 172.6844 37 P 4.4070 0.0000 0.0000 61.7262 32.4246 176.4019 38 D 4.5931 8.3340 118.2006 53.1929 41.2439 175.9389 39 E 4.0086 8.8432 127.8807 59.7879 29.5981 179.8685 40 G 3.5420 8.1230 104.7355 47.7688 0.0000 175.0478 41 E 4.0458 8.3874 121.8410 58.8991 29.4551 179.2804 42 V 3.5864 7.9723 118.2560 66.1486 31.6848 177.5819 43 D 4.3491 8.1963 118.7901 57.5398 40.5314 178.8348 44 S 4.0807 8.5641 113.7307 61.7619 62.3194 176.2105 45 C 4.1627 7.7160 118.7546 62.6043 27.8982 175.9234 46 L 3.9276 8.1931 120.9110 58.0773 41.0720 179.6599 47 R 3.9847 8.0420 116.7337 59.5143 30.1598 178.5125 48 Q 4.2638 7.7180 114.9718 55.9327 28.8364 176.7306 49 G 3.8224 8.1922 108.4452 46.9618 0.0000 175.5084 50 N 4.7002 7.8904 119.3024 51.1692 35.6744 174.6603 51 M 3.7772 7.7899 124.0185 58.9899 32.4583 177.9059 52 T 4.1868 8.1258 114.3645 67.0584 68.7917 176.0931 53 A 4.0125 8.1299 121.4964 55.2717 18.4009 179.2585 54 A 3.9629 8.1880 119.3318 55.1549 18.3963 179.6560 55 L 3.8837 8.2512 118.7030 58.6019 42.0739 179.2006 56 Q 4.0315 7.9797 116.2822 58.9733 28.7283 178.5975 57 A 4.1273 8.0862 121.5483 55.0777 18.2391 179.6011 58 A 3.9505 7.9780 118.3486 54.5021 18.3888 178.3466 59 L 4.5062 7.7503 116.4896 54.1813 43.0409 176.2946 60 K 4.4619 7.0625 119.4921 55.8082 34.8875 175.7049 61 N 4.1433 8.6717 120.1613 53.6981 35.9509 172.4490 62 P 4.7444 0.0000 0.0000 62.2424 33.0946 176.2506 63 P 4.6357 0.0000 0.0000 62.5305 29.7762 177.0722 64 I 3.8650 7.5173 118.6969 63.1884 38.7875 175.8382 65 N 4.7391 7.9517 116.0849 54.1106 39.7880 175.6475 66 T 3.9777 7.7198 107.9884 61.6108 69.2631 174.0419 67 K 4.2074 8.4673 124.2687 56.6918 32.4292 176.2682 68 S 4.3999 7.7181 113.9259 58.7489 63.2420 174.6844 69 Q 4.1422 8.7038 126.1596 58.3765 28.4878 178.4425 70 A 3.9937 7.9254 122.0185 55.1110 18.5301 179.8477 71 V 3.6022 7.5967 117.6053 64.8831 31.3930 178.7957 72 K 4.0088 7.7787 118.1117 59.3535 32.0465 179.0748 73 D 4.4587 8.6920 118.9347 56.4811 40.6124 178.8971 74 R 3.8139 7.6977 119.7096 59.4327 30.2678 178.1899 75 A 4.0892 8.0783 120.7247 54.9290 18.3206 179.8587 76 G 3.5520 8.3321 104.3687 48.1978 0.0000 176.1461 77 S 4.1273 7.9365 117.9383 61.1752 62.6687 176.8859 78 I 3.6229 7.6719 122.4949 64.2093 36.8334 178.6727 79 V 3.2197 7.3192 118.8666 65.8617 31.2750 177.6341 80 L 3.7074 8.1005 120.3621 58.1077 41.6707 178.8053 81 K 3.8375 8.4053 119.8003 59.4234 31.8405 179.0342 82 V 3.6140 7.1342 117.5188 65.9636 31.7579 177.6341 83 L 3.6445 7.6175 118.6972 57.8693 41.0930 179.7298 84 I 3.9219 7.7162 118.5960 64.1987 37.1298 177.9624 85 S 4.4216 7.7033 113.4779 58.8184 63.0578 174.5229 86 F 4.4031 7.4973 120.6193 56.7888 39.8705 174.9587 87 K 4.4598 8.4815 121.9486 54.9344 33.4733 177.3226 88 A 3.9428 8.9824 127.3064 55.7297 18.1504 179.1731 89 N 4.5591 8.1592 109.3114 55.0139 38.3181 175.9108 90 D 4.8936 8.2821 118.2396 54.0319 41.6447 178.0987 91 I 2.8530 7.3372 122.0983 64.3959 36.9034 177.0351 92 E 3.6639 8.0719 119.1425 59.2923 28.9748 178.2805 93 K 3.7697 7.9586 119.2422 59.7265 32.5903 178.1313 94 A 4.2106 7.6232 119.6599 55.3887 18.4713 179.7095 95 V 3.6089 7.7909 116.7542 66.3150 31.3645 177.9070 96 Q 4.2365 8.2451 116.3642 57.5303 28.6586 177.4386 97 S 4.5382 7.8295 114.2123 57.7661 63.7758 173.7675 98 L 4.6162 7.0121 122.2589 53.6110 43.5786 176.2251 99 D 4.7865 8.1078 121.0258 51.9802 42.6357 177.4921 100 K 3.9263 8.4362 117.9912 59.9692 31.9596 179.1823 101 N 4.4814 8.3015 116.1473 56.0778 38.4179 177.5995 102 G 3.5625 8.2994 107.2070 47.9240 0.0000 175.8574 103 V 3.7261 7.8822 121.4724 65.6536 31.4583 177.8073 104 D 4.3528 8.1761 118.5554 57.3082 40.6963 178.5279 105 L 3.8728 7.9521 120.8422 57.8361 42.0563 178.4693 106 L 4.0014 8.4744 120.7123 58.5782 42.0293 178.4382 107 M 4.0582 8.4235 118.2440 58.9771 32.2816 178.2461 108 K 3.9528 8.1863 118.2582 59.8068 32.0395 178.8551 109 Y 4.2615 7.8835 116.8997 60.7441 37.7759 177.9887 110 I 3.3860 8.1242 121.3025 64.5536 36.9525 178.0896 111 Y 3.9669 7.8827 116.3635 60.7826 38.1041 178.0199 112 K 4.2137 8.0816 120.4015 59.5564 32.2264 178.9973 113 G 3.5401 8.1875 106.1616 47.8256 0.0000 175.5568 114 F 4.5733 7.4575 118.5646 60.0693 38.9752 176.7174 115 E 4.3938 8.0048 115.8025 56.9465 30.8002 176.7396 116 S 4.7668 7.9110 114.2034 56.2264 63.3911 172.5174 117 P 4.4514 0.0000 0.0000 62.9129 32.2379 176.5914 118 S 4.4089 9.1396 115.1372 58.4136 66.3959 175.6754 119 D 4.2595 8.3592 120.8342 56.5585 36.8920 175.1585 120 N 4.3438 7.9449 112.2528 54.3751 36.9308 177.4088 121 S 4.2427 10.1345 116.3203 61.6134 63.0024 176.0238 122 S 4.3851 8.1730 117.8073 60.7127 62.4316 176.2196 123 A 4.0583 7.6761 123.5569 55.1571 18.4168 179.7253 124 V 3.8499 7.8155 117.2884 64.9858 31.8269 178.3101 125 L 4.1338 8.3118 119.6391 57.4892 41.3673 179.3293 126 L 4.4250 8.1331 118.1688 57.3099 41.7196 179.2244 127 Q 4.0727 8.4988 118.9397 58.4417 28.6798 178.4496 128 W 3.8524 8.0967 119.7182 59.7099 29.2118 177.8521 129 H 4.0702 8.5049 118.2716 59.1987 29.4435 176.5907 130 E 3.9539 8.2196 121.1267 59.6554 29.4947 179.1775 131 K 3.9678 7.9615 117.6436 59.2192 32.0072 179.2952 132 A 4.0371 8.6261 121.5171 55.0017 18.2076 179.4137 133 L 3.8621 8.5051 118.9853 58.3392 41.9796 179.1427 134 A 3.9595 7.7489 118.7666 54.6714 18.2797 179.0963 135 A 4.2854 7.6996 118.3251 54.4462 19.1809 179.1491 136 G 3.9275 8.2590 101.0122 42.9817 0.0000 174.5235 137 G 4.0378 8.2870 112.5154 44.4135 0.0000 175.1546 138 V 3.8454 8.1976 117.9436 64.3256 31.0907 178.4725 139 G 3.6848 8.1496 106.7831 47.8313 0.0000 175.6355 140 S 4.3330 8.0247 115.6946 61.2548 63.2762 176.4799 141 I 3.8639 7.5912 123.0723 64.1226 37.0171 178.0446 142 V 3.5871 7.8371 119.1079 66.2419 31.3945 177.8424 143 R 4.1269 7.8851 115.5872 57.7174 29.7081 178.7361 144 V 3.6497 7.7243 118.8063 65.4847 31.7052 177.0211 145 L 4.0697 7.6306 117.2145 57.5184 41.8078 178.1354 146 T 4.0498 7.7216 113.9966 64.9128 68.8401 175.2500 147 A 4.0272 7.2717 124.2469 52.6490 18.7623 177.3329 148 R 4.1877 8.6644 121.7511 57.2357 31.1220 176.7556 149 K 4.4035 7.8582 117.3878 54.8796 32.8080 175.0628 150 T 4.6383 7.9616 117.0813 59.6678 70.9339 173.9198 151 V 3.7541 8.0465 115.7357 61.6177 31.4757 176.4968 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 9 A 8.12 4.09 1.28 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 0.00 0.00 0.00 10 R 8.07 3.76 0.00 1.98 2.04 0.00 3.22 0.00 0.00 3.43 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.71 0.00 11 F 9.05 4.49 0.00 3.18 3.14 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 0.00 0.00 0.00 0.00 12 R 7.10 4.12 0.00 1.62 1.78 0.00 2.91 0.00 0.00 3.03 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.50 0.00 13 K 7.55 4.07 0.00 1.80 1.87 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.42 7.81 14 V 7.53 3.98 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 0.82 0.00 0.00 1.09 0.00 0.00 15 D 8.32 4.58 0.00 2.77 2.52 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 16 V 8.11 3.79 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 1.13 0.00 0.00 1.04 0.00 0.00 17 D 8.07 4.41 0.00 2.99 2.66 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 0.00 0.00 0.00 0.00 18 E 7.78 3.84 0.00 1.49 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 2.27 2.24 0.00 19 Y 6.99 4.73 0.00 2.98 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 20 D 7.90 4.54 0.00 2.74 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 21 E 8.61 4.69 0.00 1.97 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 2.17 1.86 0.00 22 N 7.83 5.02 0.00 2.68 2.64 0.00 0.00 6.87 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 23 K 7.86 4.39 0.00 1.72 1.73 0.00 1.90 0.00 0.00 1.61 0.00 0.00 2.73 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.44 7.81 24 F 8.66 4.31 0.00 3.01 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 25 V 6.65 4.18 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 0.76 0.00 0.00 0.87 0.00 0.00 26 D 7.99 4.56 0.00 2.67 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 0.00 0.00 0.00 *35 A 8.59 4.09 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 36 G 7.93 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 0.00 0.00 0.00 0.00 37 P 0.00 4.41 0.00 2.01 2.19 0.00 3.65 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 1.96 2.25 0.00 38 D 8.33 4.59 0.00 2.70 2.66 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 0.00 0.00 0.00 0.00 39 E 8.84 4.01 0.00 2.00 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 2.39 2.35 0.00 40 G 8.12 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.39 4.05 0.00 2.07 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 0.00 2.31 2.32 0.00 42 V 7.97 3.59 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 1.03 0.00 0.00 0.97 0.00 0.00 43 D 8.20 4.35 0.00 2.81 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.56 4.08 0.00 3.87 4.07 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 45 C 7.72 4.16 0.00 3.17 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 46 L 8.19 3.93 0.00 1.80 1.69 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.04 3.98 0.00 1.73 2.00 0.00 3.15 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 48 Q 7.72 4.26 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.39 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 49 G 8.19 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 50 N 7.89 4.70 0.00 2.73 2.77 0.00 0.00 7.01 7.17 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 51 M 7.79 3.78 0.00 0.77 1.63 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 52 T 8.13 4.19 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 1.31 0.00 0.00 53 A 8.13 4.01 1.40 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 0.00 0.00 0.00 54 A 8.19 3.96 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 55 L 8.25 3.88 0.00 2.00 2.05 0.75 0.89 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 56 Q 7.98 4.03 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 2.45 2.75 0.00 57 A 8.09 4.13 1.47 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 58 A 7.98 3.95 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 59 L 7.75 4.51 0.00 1.67 1.75 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 60 K 7.06 4.46 0.00 1.69 1.81 0.00 1.94 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.39 7.81 61 N 8.67 4.14 0.00 2.87 2.80 0.00 0.00 6.78 8.03 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 62 P 0.00 4.74 0.00 2.21 2.20 0.00 3.80 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 2.01 2.02 0.00 63 P 0.00 4.64 0.00 2.10 2.10 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.20 0.00 64 I 7.52 3.87 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 1.40 0.78 0.91 0.00 0.00 65 N 7.95 4.74 0.00 2.74 2.84 0.00 0.00 6.93 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 66 T 7.72 3.98 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 67 K 8.47 4.21 0.00 1.73 1.85 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.41 7.81 68 S 7.72 4.40 0.00 3.90 3.72 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 69 Q 8.70 4.14 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 70 A 7.93 3.99 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 71 V 7.60 3.60 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 0.84 0.00 0.00 0.94 0.00 0.00 72 K 7.78 4.01 0.00 2.04 1.93 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.15 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.59 1.68 7.81 73 D 8.69 4.46 0.00 2.64 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 74 R 7.70 3.81 0.00 1.93 2.11 0.00 3.10 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 75 A 8.08 4.09 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.33 3.55 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 77 S 7.94 4.13 0.00 4.02 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 78 I 7.67 3.62 1.87 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 1.48 1.37 0.83 0.00 0.00 79 V 7.32 3.22 1.54 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 0.51 0.00 0.00 -0.27 0.00 0.00 80 L 8.10 3.71 0.00 1.70 1.70 0.79 0.60 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 81 K 8.41 3.84 0.00 1.97 1.88 0.00 1.66 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.43 7.81 82 V 7.13 3.61 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.93 0.00 0.00 83 L 7.62 3.64 0.00 1.27 0.50 0.33 -1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.72 3.92 2.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.37 0.94 0.00 0.00 85 S 7.70 4.42 0.00 3.98 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 86 F 7.50 4.40 0.00 3.65 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.48 4.46 0.00 2.08 1.74 0.00 1.46 0.00 0.00 1.74 0.00 0.00 2.45 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.47 7.81 88 A 8.98 3.94 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 89 N 8.16 4.56 0.00 2.72 2.87 0.00 0.00 6.76 8.06 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 90 D 8.28 4.89 0.00 3.01 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 91 I 7.34 2.85 1.32 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.54 -0.89 0.00 0.00 92 E 8.07 3.66 0.00 1.92 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 2.42 2.32 0.00 93 K 7.96 3.77 0.00 1.78 1.88 0.00 1.89 0.00 0.00 1.75 0.00 0.00 3.32 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.57 7.81 94 A 7.62 4.21 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 95 V 7.79 3.61 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 1.04 0.00 0.00 0.88 0.00 0.00 96 Q 8.25 4.24 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 97 S 7.83 4.54 0.00 4.06 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 98 L 7.01 4.62 0.00 1.83 1.66 0.99 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 99 D 8.11 4.79 0.00 2.87 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 0.00 100 K 8.44 3.93 0.00 1.79 1.92 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.54 1.49 7.81 101 N 8.30 4.48 0.00 2.74 2.88 0.00 0.00 6.97 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 0.00 102 G 8.30 3.56 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 0.00 103 V 7.88 3.73 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 1.11 0.00 0.00 0.99 0.00 0.00 104 D 8.18 4.35 0.00 2.91 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 0.00 105 L 7.95 3.87 0.00 1.88 1.88 0.72 0.72 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 0.00 106 L 8.47 4.00 0.00 1.88 1.85 0.82 1.07 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 0.00 107 M 8.42 4.06 0.00 2.32 2.21 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.98 2.80 0.00 108 K 8.19 3.95 0.00 1.83 1.60 0.00 1.57 0.00 0.00 1.50 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.58 7.81 109 Y 7.88 4.26 0.00 3.17 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 0.00 110 I 8.12 3.39 1.87 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.45 0.44 0.00 0.00 111 Y 7.88 3.97 0.00 3.11 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.08 4.21 0.00 2.07 2.02 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.81 7.81 113 G 8.19 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 F 7.46 4.57 0.00 3.20 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 0.00 115 E 8.00 4.39 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.61 0.00 116 S 7.91 4.77 0.00 3.80 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 P 0.00 4.45 0.00 2.07 2.04 0.00 3.74 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.30 0.00 118 S 9.14 4.41 0.00 4.00 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 0.00 119 D 8.36 4.26 0.00 2.77 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 0.00 120 N 7.94 4.34 0.00 2.94 2.92 0.00 0.00 6.73 7.27 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 0.00 121 S 10.13 4.24 0.00 4.06 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 S 8.17 4.39 0.00 3.97 4.07 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 0.00 123 A 7.68 4.06 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 0.00 124 V 7.82 3.85 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 1.16 0.00 0.00 125 L 8.31 4.13 0.00 1.90 1.55 0.63 0.15 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 0.00 126 L 8.13 4.42 0.00 2.00 1.78 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 8.50 4.07 0.00 2.26 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.82 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 128 W 8.10 3.85 0.00 3.51 3.21 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 0.00 129 H 8.50 4.07 0.00 3.45 3.57 0.00 5.61 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 0.00 130 E 8.22 3.95 0.00 2.22 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 2.30 2.39 0.00 131 K 7.96 3.97 0.00 1.74 1.70 0.00 1.52 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 1.38 7.81 132 A 8.63 4.04 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 0.00 133 L 8.51 3.86 0.00 1.76 1.90 0.97 1.24 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 0.00 134 A 7.75 3.96 1.38 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 0.00 0.00 135 A 7.70 4.29 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 0.00 136 G 8.26 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 0.00 0.00 0.00 137 G 8.29 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 V 8.20 3.85 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 0.87 0.00 0.00 0.96 0.00 0.00 139 G 8.15 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 0.00 140 S 8.02 4.33 0.00 4.12 4.07 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 0.00 141 I 7.59 3.86 2.07 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.67 0.88 0.00 0.00 142 V 7.84 3.59 2.26 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 1.01 0.00 0.00 0.92 0.00 0.00 143 R 7.89 4.13 0.00 2.04 1.92 0.00 3.15 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 144 V 7.72 3.65 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 0.54 0.00 0.00 0.94 0.00 0.00 145 L 7.63 4.07 0.00 1.72 1.64 0.86 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 146 T 7.72 4.05 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 1.18 0.00 0.00 147 A 7.27 4.03 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 0.00 148 R 8.66 4.19 0.00 1.83 2.14 0.00 3.35 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 149 K 7.86 4.40 0.00 1.69 2.00 0.00 1.59 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.45 7.81 150 T 7.96 4.64 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 1.17 0.00 0.00 151 V 8.05 3.75 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 0.19 0.00 0.00 0.50 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.