NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2956 8.2649 123.5563 52.0261 19.6265 177.2468 2 L 4.1316 8.4227 113.1965 53.4660 39.9644 174.1294 3 W 5.2349 7.4896 117.4827 56.5426 33.6567 176.8595 4 Q 4.3313 6.8115 117.5505 56.9745 28.4232 177.0238 5 F 4.3529 8.2020 121.4612 62.2903 39.2201 176.9212 6 R 3.6000 8.0382 117.1791 59.3201 29.4499 178.7310 7 S 4.1826 8.1637 112.5844 62.0835 62.2035 175.4019 8 M 2.5500 7.9754 120.3526 58.7784 31.6589 178.0240 9 I 3.8835 7.4114 118.8608 63.0098 37.5528 178.3950 10 K 4.0809 8.0854 120.6172 60.2697 31.7362 178.8565 11 C 3.7996 7.5972 114.6605 60.2351 40.2347 175.7516 12 A 4.2194 7.7437 120.8424 53.3306 18.4988 177.9612 13 I 4.3827 7.1334 116.5763 57.6934 37.0587 170.9891 14 P 4.0837 0.0000 0.0000 66.5396 30.5207 175.5671 15 G 4.2252 8.2060 117.6220 45.5125 0.0000 172.6343 16 S 4.1840 7.7409 116.9485 57.6984 64.1273 174.0948 17 H 4.0214 8.7652 121.8082 55.5275 28.8485 173.1130 18 P 3.4090 0.0000 0.0000 60.4254 33.8211 178.1216 19 L 3.5217 7.4885 117.3580 58.2617 42.1924 179.0589 20 M 3.9401 7.7586 115.6606 58.7033 32.1845 177.6349 21 D 4.4599 7.8793 116.3795 57.6242 41.5417 178.0566 22 F 3.1118 7.9721 117.9977 60.2614 38.9548 177.4092 23 N 4.2049 7.5737 117.6192 56.5685 38.9591 175.7330 24 N 4.4341 8.0948 114.8292 56.1941 38.7650 175.0247 25 Y 4.5343 7.2553 114.5304 57.3077 38.7338 175.2749 26 G 4.1948 8.9419 111.2481 44.6098 0.0000 171.7213 27 C 4.5696 8.7905 113.7414 57.4878 42.6520 173.8128 28 Y 4.8158 8.3249 116.5537 55.4829 36.9772 173.9390 29 C 5.1004 8.1931 118.1823 56.9954 45.7640 173.8665 30 G 4.1619 7.7277 115.5303 45.0271 0.0000 176.1615 31 L 4.6826 8.9092 126.4476 53.8976 45.1428 174.2264 32 G 3.9135 9.3452 115.6434 43.6584 0.0000 173.5194 33 G 4.2132 9.5237 111.6683 45.3718 0.0000 173.5954 34 S 3.6735 7.9796 112.7757 58.4754 63.7611 173.8428 35 G 3.5649 8.2187 119.5158 46.4348 0.0000 173.8833 36 T 4.4722 8.3673 119.5515 60.4364 70.5611 170.2404 37 P 5.2582 0.0000 0.0000 61.9079 29.8354 176.1957 38 V 5.0301 7.5413 120.0015 62.2717 40.3000 172.7722 39 D 4.8095 7.3916 118.9033 52.4649 43.8084 177.3808 40 E 4.1949 8.5468 117.6942 57.5688 29.0640 177.8969 41 L 4.2863 7.4536 120.9807 56.2769 42.4362 177.8490 42 D 4.4613 7.7330 117.0857 57.5109 40.7707 177.5395 43 R 4.0258 7.8807 118.6798 59.0442 29.9999 178.6118 44 C 4.1332 8.2376 116.1054 59.3744 41.1117 174.9761 45 C 4.2433 7.9372 120.8577 59.4030 43.3644 174.7026 46 E 3.4438 7.9739 121.1305 59.8976 29.0849 179.3376 47 T 3.8136 7.3322 114.7949 66.9393 68.6252 176.4480 48 H 4.0399 7.6433 119.9419 59.1035 29.7940 176.9977 49 D 4.2115 8.1492 121.2777 56.1175 39.3312 177.6965 50 N 4.5207 8.2393 117.5309 55.3784 39.0285 176.1191 51 C 4.4339 8.3050 120.2906 60.0764 38.4295 174.8483 52 Y 4.1593 8.3901 118.2982 61.0203 37.3609 178.9025 53 R 3.9460 8.2072 119.1876 59.6288 30.0725 178.8414 54 D 4.4872 7.7055 114.8792 56.8034 40.9053 178.3956 55 A 3.5143 8.0796 122.2273 54.6005 18.1214 179.5886 56 K 3.1854 7.2359 116.2572 59.9065 32.5044 178.3978 57 N 4.4875 7.2815 115.6459 53.9446 39.1689 174.2683 58 L 4.0122 6.7418 123.1186 54.3383 41.9952 176.9214 59 D 4.3962 8.6272 127.1076 57.5165 40.8480 178.2580 60 S 4.1089 7.8701 114.5604 60.6919 63.1117 175.2152 61 C 4.7670 7.8201 125.2630 55.1026 40.9956 173.3228 62 K 5.1690 8.1129 125.3099 54.3899 33.7074 176.5384 63 F 5.0792 8.7833 123.2428 56.3553 38.4586 176.8843 64 L 4.0526 7.7683 120.9007 58.2431 41.0601 178.4089 65 V 3.6814 7.7456 113.9777 60.4982 29.8565 176.1274 66 D 4.1668 8.2243 124.0639 56.7896 41.3092 177.0430 67 N 4.2420 7.1789 117.4811 51.6929 40.6553 172.8079 68 P 4.3877 0.0000 0.0000 61.4938 30.5616 176.5446 69 Y 4.6193 7.1310 114.4489 60.3672 39.1415 176.6087 70 T 3.5067 7.1224 110.2373 62.2331 72.5390 172.6581 71 E 4.5305 7.8188 121.8148 52.9877 27.5544 176.5791 72 S 5.7777 6.8072 124.4700 58.6137 61.0226 176.9553 73 Y 4.9998 7.2753 119.9290 54.5065 41.2997 174.3291 74 S 5.0189 8.4235 113.8774 57.7804 66.1528 171.2747 75 Y 5.2751 8.3792 115.2500 56.3550 41.4772 174.2445 76 S 4.7346 8.8109 114.4833 56.9936 66.0714 174.4898 77 C 5.5970 7.7808 119.3354 57.9222 42.5012 174.8942 78 S 4.6513 8.2184 118.8042 59.4923 64.4249 177.1866 79 N 4.3560 8.5529 118.8617 55.4854 37.9181 176.4027 80 T 3.7500 9.2343 107.3661 66.0184 70.4743 177.7795 81 E 3.9807 7.5051 121.7719 55.4002 27.7052 175.5583 82 I 4.8242 7.0570 122.7129 62.7474 38.2669 174.8289 83 T 4.6531 8.7516 117.2209 62.2460 68.6941 174.8876 84 C 5.1002 9.1106 115.6867 55.7215 49.1186 172.6761 85 N 4.4045 8.4410 120.2027 54.0726 38.6448 175.3896 86 S 4.3364 8.7521 120.0979 59.5403 63.0111 175.0102 87 K 3.7763 8.8003 118.7463 59.7971 32.3329 176.8003 88 N 3.8335 8.0157 116.4507 52.5948 38.4436 171.3999 89 N 4.9864 8.3804 130.3971 54.0032 37.8561 174.9013 90 A 4.4280 8.3505 115.5560 53.6543 20.2807 177.8771 91 C 4.4527 7.8964 109.0980 57.4813 37.5466 175.5105 92 E 3.9478 8.3049 120.4766 59.3767 28.9739 178.9603 93 A 4.2800 7.9514 121.1250 54.5941 18.6049 178.9927 94 F 4.0379 8.0950 118.5277 61.9002 39.4839 177.5273 95 I 3.9878 7.7865 119.0107 64.3783 36.9427 176.1143 96 C 4.0021 7.1313 115.1162 58.2536 39.6381 175.6671 97 N 4.1845 8.4011 118.9897 55.7303 37.8919 176.8354 98 C 4.1685 8.1989 118.2782 60.0632 39.9382 175.3674 99 D 4.2675 8.3547 119.1941 56.3975 40.7445 178.3814 100 R 3.9087 8.0815 116.9870 59.7586 29.5958 178.1582 101 N 4.1190 8.0757 118.4219 57.3237 38.9008 177.4000 102 A 2.7887 7.5479 119.2679 53.9401 17.9014 179.2083 103 A 3.7972 7.9369 116.3664 54.8623 18.8496 179.6022 104 I 3.5738 7.5743 118.0462 65.0123 37.3123 177.5832 105 C 4.3145 8.1864 118.3731 58.7269 43.2758 175.2760 106 F 4.1154 6.9124 118.2587 59.9786 38.3280 176.6514 107 S 4.4482 7.3216 112.3790 60.3140 62.4134 175.9853 108 K 4.0610 7.8016 120.5679 58.4629 32.3249 177.4715 109 A 4.2820 7.9728 120.3075 50.8487 19.3566 175.2896 110 P 4.0844 0.0000 0.0000 61.9880 31.3633 175.3594 111 Y 4.3283 8.6527 126.1354 56.8627 40.2644 175.1756 112 N 4.1529 7.4754 122.1965 51.9013 37.7463 175.0270 113 K 4.1899 7.7964 121.7122 56.8543 32.9317 176.8146 114 E 4.6389 7.2775 116.3753 58.5002 35.9654 175.8232 115 H 4.5347 7.1224 113.5833 55.4538 28.4891 177.3260 116 K 4.0809 7.8752 122.0617 58.5524 32.1900 176.3706 117 N 4.7247 7.7573 115.7911 52.0336 39.6798 173.2330 118 L 4.4937 8.2149 127.0493 54.0607 43.4047 176.6046 119 D 4.4985 8.7374 121.2064 57.4646 41.1105 176.1916 120 T 4.0152 7.8149 115.0449 62.3528 65.8891 172.5180 121 K 4.4290 7.7439 121.9460 56.3338 32.9041 178.3647 122 K 3.9921 6.9742 116.4800 57.6925 35.1294 176.2298 123 Y 4.6746 7.7500 113.7270 58.1918 38.5377 175.5029 124 C 4.4306 7.6987 125.6014 57.0817 44.6018 173.2784 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 A 8.26 4.30 1.48 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 2 L 8.42 4.13 0.00 1.72 1.76 0.37 0.07 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 3 W 7.49 5.23 0.00 3.50 3.22 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 4 Q 6.81 4.33 0.00 1.80 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.90 0.00 0.00 0.00 0.00 0.00 2.53 2.69 0.00 5 F 8.20 4.35 0.00 3.49 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 6 R 8.04 3.60 0.00 2.12 1.92 0.00 3.40 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 7 S 8.16 4.18 0.00 4.06 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 0.00 8 M 7.98 2.55 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 2.26 0.00 9 I 7.41 3.88 1.78 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.28 1.29 0.00 0.00 10 K 8.09 4.08 0.00 1.75 1.85 0.00 1.89 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.62 7.81 11 C 7.60 3.80 0.00 3.28 3.41 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 12 A 7.74 4.22 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 13 I 7.13 4.38 2.09 0.00 0.00 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 1.41 0.95 1.15 0.00 0.00 14 P 0.00 4.08 0.00 2.05 2.07 0.00 3.79 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.24 0.00 15 G 8.21 4.23 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 0.00 0.00 0.00 16 S 7.74 4.18 0.00 4.04 4.14 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 17 H 8.77 4.02 0.00 2.86 2.90 0.00 5.93 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 3.41 0.00 1.93 1.75 0.00 3.35 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 1.97 2.08 0.00 19 L 7.49 3.52 0.00 1.65 1.76 0.75 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 20 M 7.76 3.94 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.52 0.00 21 D 7.88 4.46 0.00 2.52 2.93 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 22 F 7.97 3.11 0.00 2.53 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 0.00 0.00 0.00 0.00 23 N 7.57 4.20 0.00 2.65 2.89 0.00 0.00 7.36 7.90 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 24 N 8.09 4.43 0.00 2.81 3.01 0.00 0.00 6.92 7.46 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 25 Y 7.26 4.53 0.00 3.03 2.93 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 26 G 8.94 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 0.00 0.00 0.00 27 C 8.79 4.57 0.00 3.15 3.29 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 28 Y 8.32 4.82 0.00 3.13 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 29 C 8.19 5.10 0.00 3.15 3.08 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 0.00 0.00 0.00 30 G 7.73 4.16 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 0.00 31 L 8.91 4.68 0.00 1.65 1.62 1.00 1.06 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 32 G 9.35 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 33 G 9.52 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 S 7.98 3.67 0.00 3.86 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.22 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 36 T 8.37 4.47 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 1.17 0.00 0.00 37 P 0.00 5.26 0.00 2.16 1.62 0.00 3.81 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.39 0.00 38 V 7.54 5.03 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.79 0.00 0.00 39 D 7.39 4.81 0.00 2.71 2.40 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 40 E 8.55 4.19 0.00 2.14 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 2.34 2.24 0.00 41 L 7.45 4.29 0.00 1.84 1.24 1.03 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 42 D 7.73 4.46 0.00 2.77 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 7.88 4.03 0.00 1.94 2.01 0.00 3.40 0.00 0.00 3.35 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.73 0.00 44 C 8.24 4.13 0.00 3.24 2.93 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 45 C 7.94 4.24 0.00 3.15 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 46 E 7.97 3.44 0.00 1.51 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 47 T 7.33 3.81 4.16 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 1.21 0.00 0.00 48 H 7.64 4.04 0.00 3.19 3.04 0.00 5.58 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.15 4.21 0.00 3.00 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 50 N 8.24 4.52 0.00 2.88 2.98 0.00 0.00 6.79 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 51 C 8.30 4.43 0.00 3.17 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 52 Y 8.39 4.16 0.00 3.21 2.95 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 53 R 8.21 3.95 0.00 2.01 2.01 0.00 3.31 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 1.81 1.86 0.00 54 D 7.71 4.49 0.00 3.11 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 55 A 8.08 3.51 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 56 K 7.24 3.19 0.00 1.74 1.83 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.39 7.81 57 N 7.28 4.49 0.00 2.77 2.99 0.00 0.00 7.16 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 58 L 6.74 4.01 0.00 1.25 1.11 0.44 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.63 4.40 0.00 2.70 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 60 S 7.87 4.11 0.00 3.83 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 61 C 7.82 4.77 0.00 2.87 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 62 K 8.11 5.17 0.00 1.90 1.67 0.00 1.67 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.45 1.50 7.81 63 F 8.78 5.08 0.00 2.79 2.93 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 64 L 7.77 4.05 0.00 1.71 1.80 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 65 V 7.75 3.68 1.73 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 0.84 0.00 0.00 0.51 0.00 0.00 66 D 8.22 4.17 0.00 2.53 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 N 7.18 4.24 0.00 2.59 2.51 0.00 0.00 6.86 8.02 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 68 P 0.00 4.39 0.00 1.98 1.73 0.00 2.83 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.20 0.00 69 Y 7.13 4.62 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 70 T 7.12 3.51 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 71 E 7.82 4.53 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.42 0.00 72 S 6.81 5.78 0.00 4.18 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 73 Y 7.28 5.00 0.00 2.93 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.42 5.02 0.00 3.95 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 Y 8.38 5.28 0.00 3.08 3.08 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 0.00 0.00 0.00 76 S 8.81 4.73 0.00 3.96 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 77 C 7.78 5.60 0.00 2.97 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 78 S 8.22 4.65 0.00 3.78 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 79 N 8.55 4.36 0.00 2.74 2.64 0.00 0.00 7.17 7.70 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 80 T 9.23 3.75 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 1.24 0.00 0.00 81 E 7.51 3.98 0.00 2.03 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 2.26 2.57 0.00 82 I 7.06 4.82 1.89 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.74 0.93 0.00 0.00 83 T 8.75 4.65 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 1.25 0.00 0.00 84 C 9.11 5.10 0.00 2.98 2.95 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 85 N 8.44 4.40 0.00 2.86 2.76 0.00 0.00 7.26 8.01 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 86 S 8.75 4.34 0.00 3.87 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 87 K 8.80 3.78 0.00 1.91 1.99 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.59 1.51 7.81 88 N 8.02 3.83 0.00 3.08 2.92 0.00 0.00 6.62 6.23 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 89 N 8.38 4.99 0.00 2.74 2.47 0.00 0.00 7.14 7.96 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 90 A 8.35 4.43 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 91 C 7.90 4.45 0.00 3.13 3.38 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 92 E 8.30 3.95 0.00 2.07 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 0.00 2.62 2.45 0.00 93 A 7.95 4.28 1.48 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 94 F 8.09 4.04 0.00 3.29 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 95 I 7.79 3.99 1.96 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 1.83 1.01 1.14 0.00 0.00 96 C 7.13 4.00 0.00 3.09 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 97 N 8.40 4.18 0.00 2.97 2.80 0.00 0.00 6.91 8.01 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 98 C 8.20 4.17 0.00 3.54 3.36 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 99 D 8.35 4.27 0.00 3.34 2.90 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 0.00 100 R 8.08 3.91 0.00 2.13 2.36 0.00 3.03 0.00 0.00 3.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.60 0.00 101 N 8.08 4.12 0.00 2.60 2.74 0.00 0.00 7.24 8.32 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 0.00 102 A 7.55 2.79 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.94 3.80 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 0.00 104 I 7.57 3.57 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 1.38 0.70 0.85 0.00 0.00 105 C 8.19 4.31 0.00 2.84 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 F 6.91 4.12 0.00 2.74 2.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.32 4.45 0.00 4.11 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 K 7.80 4.06 0.00 1.75 1.83 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.45 1.53 7.81 109 A 7.97 4.28 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 0.00 110 P 0.00 4.08 0.00 2.13 2.04 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 111 Y 8.65 4.33 0.00 2.96 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 N 7.48 4.15 0.00 2.22 2.38 0.00 0.00 6.97 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 K 7.80 4.19 0.00 1.99 1.92 0.00 1.53 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.39 7.81 114 E 7.28 4.64 0.00 1.58 1.74 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 1.78 1.55 0.00 115 H 7.12 4.53 0.00 3.32 3.40 0.00 5.81 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 7.88 4.08 0.00 1.79 1.83 0.00 1.87 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.50 1.59 7.81 117 N 7.76 4.72 0.00 2.67 2.70 0.00 0.00 6.95 7.78 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 0.00 118 L 8.21 4.49 0.00 1.86 1.67 1.28 1.43 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 0.00 119 D 8.74 4.50 0.00 2.92 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 0.00 120 T 7.81 4.02 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 1.23 0.00 0.00 121 K 7.74 4.43 0.00 1.81 1.81 0.00 1.39 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.32 1.44 7.81 122 K 6.97 3.99 0.00 0.79 0.74 0.00 1.45 0.00 0.00 1.45 0.00 0.00 3.10 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.84 1.14 7.81 123 Y 7.75 4.67 0.00 2.90 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 0.00 124 C 7.70 4.43 0.00 2.88 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