NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0269 8.0632 120.4318 55.4688 33.8880 174.0867 2 I 3.8859 8.7579 127.9988 60.7786 37.8363 175.3097 3 R 4.0657 8.8279 128.1512 58.7549 31.2547 176.3181 4 F 5.4347 7.0710 111.0661 55.6631 42.2394 172.4177 5 I 4.6985 8.4691 118.4096 59.7730 40.7650 175.0886 6 L 4.5891 8.5656 126.7977 53.2551 45.0905 176.1094 7 I 5.0884 8.2042 120.6462 59.0476 38.6959 174.0936 8 Q 5.2918 8.4011 123.7913 53.5677 32.4228 175.3718 9 N 5.6607 8.1987 117.5740 50.8321 39.8363 175.7697 10 R 4.0104 8.7787 116.6518 59.1771 30.0763 177.7168 11 A 4.2877 8.2178 118.0697 52.1095 19.2395 177.7502 12 G 3.6048 8.8606 104.4309 45.2745 0.0000 173.9852 13 K 4.0995 8.5424 120.4237 55.6403 31.6405 176.9569 14 T 4.0548 8.3617 121.4314 64.1528 68.7888 174.4855 15 R 4.6917 8.3228 121.7065 55.5030 32.6936 175.0844 16 L 4.3210 7.5728 119.7503 54.0517 45.6143 174.2938 17 A 4.7413 7.8706 126.1963 51.1455 20.2939 173.3960 18 K 4.0270 7.7959 120.9817 55.3165 33.3336 175.2633 19 W 4.9256 8.5661 127.5887 55.5174 30.7779 175.8548 20 Y 5.1505 8.8852 119.9014 57.5751 38.9849 175.2499 21 M 4.6976 8.1241 114.7297 53.6814 33.9161 174.3775 22 Q 3.9773 8.3784 120.0188 56.1780 28.9406 175.8563 23 F 5.1399 8.1211 121.1694 55.0122 42.5447 175.4254 24 D 4.6271 9.1025 123.9791 53.8533 42.7464 177.8391 25 D 4.2144 8.3581 120.2289 57.7777 40.4140 178.8857 26 D 4.3865 7.9760 118.6063 56.8144 40.7750 178.6581 27 E 3.8391 7.7877 119.0552 59.2251 29.6464 178.6548 28 K 3.0249 7.9009 119.8824 59.4741 31.9118 177.9674 29 Q 3.9767 7.9492 120.1796 58.3943 28.9791 177.3653 30 K 3.7780 7.8009 119.1758 59.6733 32.2286 178.4597 31 L 3.9996 8.2752 120.6334 58.4617 41.8055 179.2036 32 I 3.7658 7.5357 119.6100 64.2145 36.9489 178.1825 33 E 3.9913 8.3124 119.5058 59.4420 29.1762 179.2877 34 E 4.0073 8.5224 118.7182 59.6433 29.7209 179.5573 35 V 3.2096 7.8196 118.0049 65.9117 31.2876 177.5473 36 H 4.0459 7.8867 117.9365 59.0980 29.7218 176.8974 37 A 3.9716 8.0314 121.4823 54.2597 18.0765 178.6014 38 V 3.9472 7.1852 115.6562 64.9456 32.8167 178.0608 39 V 3.0456 7.0313 117.1799 65.4805 30.9846 177.7325 40 T 3.7157 7.3003 112.7554 64.0033 67.3267 175.3997 41 V 3.8895 6.8844 119.1725 62.2297 32.0334 176.1195 42 R 4.3800 7.2521 120.0585 55.3656 31.0261 176.5615 43 D 4.9189 8.4921 122.5001 52.8653 39.8549 178.6798 44 A 3.6564 8.3570 125.3196 54.6851 18.2166 179.5186 45 K 4.0346 9.0379 116.3387 59.0576 32.4836 176.6215 46 H 4.5987 7.9160 114.8338 55.1180 30.6173 173.5743 47 T 4.4740 8.0546 113.1649 60.7321 69.5428 173.9323 48 N 4.2536 7.6246 119.1655 53.2776 39.1192 174.4729 49 F 5.5274 7.6424 116.6307 56.0971 43.1192 174.8200 50 V 4.6933 8.7440 114.3737 59.3300 36.0464 174.7910 51 E 4.3708 9.0359 123.9191 57.1058 30.3805 177.0187 52 F 4.7413 9.3670 126.1235 57.6785 42.0032 174.3286 53 R 3.2942 7.9388 131.4647 57.5437 28.8793 178.4154 54 N 4.3532 8.2421 121.5786 54.9110 38.3082 174.8660 55 F 5.3104 7.3525 119.7169 56.3912 42.4217 174.5582 56 K 5.3508 8.9819 117.6603 56.5394 36.9524 175.3495 57 I 4.8947 8.9107 122.3484 59.6412 39.5621 175.2348 58 I 4.9132 8.4575 128.9238 61.5087 38.3889 174.7960 59 Y 5.8681 8.0379 121.8254 57.1702 41.1288 173.8303 60 R 4.5905 8.6684 120.7830 54.7944 34.0034 173.8929 61 R 5.0165 8.6971 125.3763 56.3713 31.8754 175.7427 62 Y 4.4038 9.4397 122.2490 57.4955 41.9156 174.8508 63 A 3.4586 8.3626 130.5617 53.7751 17.4915 177.8459 64 G 3.8591 8.6580 107.3085 47.7831 0.0000 171.7261 65 L 5.1177 7.9728 121.3498 52.9624 44.3846 175.1253 66 Y 4.9264 9.0685 122.9077 57.4440 39.7190 174.7201 67 F 4.5924 9.7593 124.1843 56.4554 40.3740 174.5054 68 C 5.1713 8.6316 121.9907 58.3145 30.7628 173.2523 69 I 4.6575 8.7313 123.0110 59.6065 40.4272 173.8625 70 C 4.6410 8.2187 128.3246 58.1919 32.7818 172.8669 71 V 4.7988 8.6717 118.7002 59.0984 36.0808 174.7108 72 D 4.9037 8.4747 121.6109 54.6165 41.0835 177.5642 73 V 3.7739 8.7026 121.6537 66.0523 31.8061 176.9678 74 N 4.7963 8.0976 115.1397 53.2042 37.2708 174.2050 75 D 4.8021 7.5629 117.8401 53.5955 42.7047 177.1677 76 N 4.4406 8.5176 120.0544 53.4013 38.8316 175.2266 77 N 4.2466 8.5356 126.1522 56.5246 38.3728 177.1624 78 L 4.1445 7.9652 119.3366 57.4333 41.7759 179.1821 79 A 3.9734 8.2135 120.8621 55.6250 18.3997 179.4445 80 Y 4.2842 7.9121 114.7097 60.7338 37.9067 178.1244 81 L 4.2570 8.3068 121.3772 57.3730 42.2079 178.0965 82 E 4.3398 8.0524 117.4995 57.9201 29.9534 177.7298 83 A 4.0464 8.2041 121.0889 55.4122 18.4264 179.4079 84 I 3.8223 8.0829 117.5040 65.0647 37.3167 177.9661 85 H 4.4960 8.1910 119.5374 58.8724 30.0056 177.0647 86 N 4.4855 8.9217 118.7180 55.1585 37.0441 176.8692 87 F 4.2685 8.5525 124.0670 61.4286 39.5584 177.0664 88 V 3.1621 7.4993 117.4659 65.9582 31.4530 177.8464 89 E 3.9353 8.1366 118.0069 58.9480 29.1849 179.3114 90 V 3.5886 7.4569 118.0406 65.3491 31.6307 177.9926 91 L 4.0295 7.5975 118.9567 57.6514 41.3587 178.3128 92 N 4.6469 8.3615 114.9005 54.8260 38.6407 175.9106 93 E 4.2384 7.1410 116.5763 59.2028 30.6033 177.2258 94 Y 4.1288 7.7149 118.2806 60.9021 39.0278 177.7780 95 F 4.3515 8.1292 117.0033 56.9352 39.2634 171.9472 96 H 3.9793 8.1445 124.1008 55.8132 30.5069 173.9652 97 N 4.1725 8.8898 125.4858 53.3060 36.1782 174.8357 98 V 3.7096 7.6075 115.4033 62.7756 32.0288 174.7979 99 C 4.6409 8.7247 114.7481 56.0085 32.2814 174.4447 100 E 3.8955 8.8913 119.1248 59.8049 28.7043 180.0069 101 L 4.1138 7.7307 118.1870 57.8851 41.8385 178.5439 102 D 4.2477 7.5299 118.7767 57.6845 40.4535 179.2366 103 L 3.9022 7.0503 118.1296 56.8756 41.8847 179.0264 104 V 4.0614 8.2235 118.9833 65.4386 31.6965 177.5641 105 F 4.5059 8.6122 115.0444 58.9653 38.9701 175.2823 106 N 4.8992 7.9612 116.3814 52.1369 40.0032 176.0597 107 F 4.3654 8.5223 118.2023 60.7431 37.2761 176.8324 108 Y 4.0363 6.4753 116.5708 58.7679 38.1796 177.0850 109 K 4.3085 7.3674 119.7091 57.6677 33.3896 178.4768 110 V 3.7364 7.9714 119.8347 66.7701 31.2672 177.2930 111 Y 4.1652 7.9918 115.7910 61.0530 37.4674 178.2755 112 T 4.2187 7.8820 109.4640 63.6480 69.4912 177.0145 113 V 3.6563 7.6447 121.4215 65.8831 31.7796 177.5224 114 V 3.9197 7.9460 118.0176 66.6438 31.1731 177.8195 115 D 5.2671 8.1020 117.6199 56.4411 40.4425 177.9404 116 E 4.1554 8.2799 120.0145 58.2436 29.7530 177.3321 117 M 4.4094 7.9138 116.5524 54.1647 33.3368 175.2632 118 F 5.1518 7.3299 117.2707 56.3634 43.6602 172.9199 119 L 4.6979 9.1155 124.7164 55.2000 45.1882 175.0290 120 A 3.8775 10.1065 127.0903 53.1443 16.2605 177.6493 121 G 3.5982 7.2351 109.3246 45.8088 0.0000 174.2934 122 E 4.8556 7.4503 117.9953 54.1754 31.4224 175.5437 123 I 3.9398 8.3088 121.3716 62.1455 37.0353 174.3838 124 R 4.3837 7.5001 120.4596 55.9627 32.8717 174.8326 125 E 4.6731 7.7819 118.9158 54.7415 31.7967 176.2493 126 T 4.1870 8.4719 112.4821 62.3393 70.7783 175.0114 127 S 4.2332 8.1122 116.2070 57.7161 62.6121 173.8242 128 Q 4.0139 8.7106 129.8817 59.4775 28.5364 179.3404 129 T 3.8660 7.7817 116.0503 66.5282 68.5835 176.8207 130 K 4.0031 7.7494 119.8900 59.4190 32.1604 179.9135 131 V 3.6558 7.7895 119.4186 64.7312 31.2030 178.4691 132 L 3.9942 7.9094 119.7245 57.4033 41.2748 179.1717 133 K 3.9442 7.8758 119.2245 59.1999 32.0477 178.5463 134 Q 4.0871 8.0856 119.6949 58.7947 29.0226 177.5340 135 L 3.9184 7.7335 118.7330 57.6721 41.6916 178.8714 136 L 4.4004 7.7054 116.5963 56.1239 42.0058 178.1473 137 M 4.2286 7.3978 116.7187 57.9715 32.7701 176.6551 138 L 4.1971 7.9233 118.7614 55.2320 43.8370 177.4833 139 Q 3.9156 8.7316 120.8275 57.0634 28.9426 174.0626 140 S 4.5794 8.4699 109.8349 58.0178 63.7124 173.9765 141 L 4.3776 7.6190 121.6137 53.6332 42.5648 176.1967 142 E 4.1074 8.7671 122.0445 56.6678 29.4937 176.4581 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 M 8.06 5.03 0.00 2.30 2.06 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.38 0.00 2 I 8.76 3.89 1.58 0.00 0.00 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 0.68 0.96 0.81 0.00 0.00 3 R 8.83 4.07 0.00 1.17 1.87 0.00 3.07 0.00 0.00 3.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.50 0.00 4 F 7.07 5.43 0.00 2.46 3.15 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 5 I 8.47 4.70 1.60 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.59 0.57 0.00 0.00 6 L 8.57 4.59 0.00 1.59 1.43 0.24 0.24 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 7 I 8.20 5.09 1.66 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 1.49 0.20 0.00 0.00 8 Q 8.40 5.29 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 9 N 8.20 5.66 0.00 2.95 3.07 0.00 0.00 6.73 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 10 R 8.78 4.01 0.00 1.87 2.15 0.00 3.21 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 11 A 8.22 4.29 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 12 G 8.86 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.54 4.10 0.00 1.95 1.77 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.54 7.81 14 T 8.36 4.05 4.22 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 1.19 0.00 0.00 15 R 8.32 4.69 0.00 1.72 1.87 0.00 3.24 0.00 0.00 3.16 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 16 L 7.57 4.32 0.00 1.57 1.24 0.24 1.09 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 17 A 7.87 4.74 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 18 K 7.80 4.03 0.00 1.64 1.34 0.00 1.66 0.00 0.00 2.01 0.00 0.00 3.28 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 0.63 7.81 19 W 8.57 4.93 0.00 3.21 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 20 Y 8.89 5.15 0.00 3.19 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 21 M 8.12 4.70 0.00 2.07 1.79 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.74 0.00 22 Q 8.38 3.98 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 23 F 8.12 5.14 0.00 2.58 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 24 D 9.10 4.63 0.00 2.64 2.56 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 25 D 8.36 4.21 0.00 2.62 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 26 D 7.98 4.39 0.00 2.64 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.79 3.84 0.00 2.14 1.70 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 2.37 2.34 0.00 28 K 7.90 3.02 0.00 1.57 1.50 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.60 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.88 0.21 7.81 29 Q 7.95 3.98 0.00 2.28 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.49 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 30 K 7.80 3.78 0.00 1.97 1.76 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.60 1.46 7.81 31 L 8.28 4.00 0.00 1.72 1.76 1.01 0.15 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 32 I 7.54 3.77 2.04 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.19 0.97 0.00 0.00 33 E 8.31 3.99 0.00 2.21 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 2.33 2.35 0.00 34 E 8.52 4.01 0.00 2.41 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 35 V 7.82 3.21 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 0.80 0.00 0.00 0.74 0.00 0.00 36 H 7.89 4.05 0.00 3.19 3.53 0.00 5.86 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 37 A 8.03 3.97 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 38 V 7.19 3.95 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 0.85 0.00 0.00 1.06 0.00 0.00 39 V 7.03 3.05 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 -0.44 0.00 0.00 40 T 7.30 3.72 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 0.96 0.00 0.00 41 V 6.88 3.89 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 0.73 0.00 0.00 0.90 0.00 0.00 42 R 7.25 4.38 0.00 1.97 2.00 0.00 3.07 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.45 0.00 43 D 8.49 4.92 0.00 2.91 2.87 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 44 A 8.36 3.66 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 45 K 9.04 4.03 0.00 1.56 2.06 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.18 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.38 7.81 46 H 7.92 4.60 0.00 3.22 3.29 0.00 5.71 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 47 T 8.05 4.47 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 1.37 0.00 0.00 48 N 7.62 4.25 0.00 1.69 2.36 0.00 0.00 6.55 8.13 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 49 F 7.64 5.53 0.00 2.93 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 50 V 8.74 4.69 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 0.78 0.00 0.00 0.92 0.00 0.00 51 E 9.04 4.37 0.00 1.92 1.96 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 2.37 2.38 0.00 52 F 9.37 4.74 0.00 3.04 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 53 R 7.94 3.29 0.00 1.52 1.18 0.00 2.98 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.80 0.00 54 N 8.24 4.35 0.00 2.47 2.65 0.00 0.00 5.79 7.43 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 55 F 7.35 5.31 0.00 3.22 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 56 K 8.98 5.35 0.00 2.06 1.94 0.00 1.30 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.48 7.81 57 I 8.91 4.89 1.79 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.94 0.84 0.00 0.00 58 I 8.46 4.91 1.99 0.00 0.00 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 1.33 1.12 1.16 0.00 0.00 59 Y 8.04 5.87 0.00 3.09 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 60 R 8.67 4.59 0.00 1.89 2.07 0.00 3.24 0.00 0.00 2.90 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.45 0.00 61 R 8.70 5.02 0.00 2.07 1.80 0.00 3.37 0.00 0.00 3.26 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.07 0.00 62 Y 9.44 4.40 0.00 2.86 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 63 A 8.36 3.46 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 64 G 8.66 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 65 L 7.97 5.12 0.00 2.07 1.84 1.03 0.96 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 66 Y 9.07 4.93 0.00 3.10 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 67 F 9.76 4.59 0.00 3.24 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 68 C 8.63 5.17 0.00 2.86 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.73 4.66 1.75 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.14 0.43 0.00 0.00 70 C 8.22 4.64 0.00 1.51 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 71 V 8.67 4.80 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 -0.09 0.00 0.00 0.85 0.00 0.00 72 D 8.47 4.90 0.00 2.96 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 73 V 8.70 3.77 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 1.04 0.00 0.00 0.97 0.00 0.00 74 N 8.10 4.80 0.00 2.87 2.90 0.00 0.00 5.96 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 75 D 7.56 4.80 0.00 3.06 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 76 N 8.52 4.44 0.00 2.72 2.67 0.00 0.00 7.04 6.71 0.00 0.00 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 N 8.54 4.25 0.00 2.36 1.88 0.00 0.00 7.05 6.74 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 78 L 7.97 4.14 0.00 1.70 1.75 0.96 1.04 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 79 A 8.21 3.97 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 7.91 4.28 0.00 3.21 3.02 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 81 L 8.31 4.26 0.00 2.14 1.82 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.05 4.34 0.00 2.06 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 2.31 2.47 0.00 83 A 8.20 4.05 1.61 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 0.00 0.00 0.00 0.00 0.00 0.00 84 I 8.08 3.82 2.23 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.48 1.08 0.00 0.00 85 H 8.19 4.50 0.00 3.55 3.55 0.00 5.83 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 86 N 8.92 4.49 0.00 2.99 3.25 0.00 0.00 6.74 8.08 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 87 F 8.55 4.27 0.00 3.28 3.52 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 88 V 7.50 3.16 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 -0.46 0.00 0.00 89 E 8.14 3.94 0.00 2.21 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 2.29 2.33 0.00 90 V 7.46 3.59 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 0.94 0.00 0.00 0.98 0.00 0.00 91 L 7.60 4.03 0.00 1.86 1.88 0.89 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.36 4.65 0.00 2.77 2.76 0.00 0.00 7.15 7.26 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 93 E 7.14 4.24 0.00 2.23 1.98 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 2.50 2.42 0.00 94 Y 7.71 4.13 0.00 2.73 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 95 F 8.13 4.35 0.00 3.21 3.17 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 96 H 8.14 3.98 0.00 3.28 3.28 0.00 5.70 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 97 N 8.89 4.17 0.00 2.91 2.84 0.00 0.00 7.15 7.68 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 98 V 7.61 3.71 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.88 0.00 0.00 99 C 8.72 4.64 0.00 3.08 3.02 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 0.00 100 E 8.89 3.90 0.00 2.03 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 2.42 2.45 0.00 101 L 7.73 4.11 0.00 1.58 1.51 0.76 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 102 D 7.53 4.25 0.00 1.91 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 0.00 0.00 0.00 103 L 7.05 3.90 0.00 1.90 1.70 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 104 V 8.22 4.06 2.44 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 1.10 0.00 0.00 1.07 0.00 0.00 105 F 8.61 4.51 0.00 2.96 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 0.00 106 N 7.96 4.90 0.00 2.94 2.83 0.00 0.00 6.64 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 0.00 107 F 8.52 4.37 0.00 3.48 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 0.00 108 Y 6.48 4.04 0.00 2.84 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 0.00 0.00 0.00 109 K 7.37 4.31 0.00 2.00 2.00 0.00 1.53 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.62 1.48 7.81 110 V 7.97 3.74 2.37 0.00 0.00 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 1.08 0.00 0.00 111 Y 7.99 4.17 0.00 3.43 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 T 7.88 4.22 4.29 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 1.30 0.00 0.00 113 V 7.64 3.66 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.55 0.00 0.00 114 V 7.95 3.92 2.31 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 1.08 0.00 0.00 1.06 0.00 0.00 115 D 8.10 5.27 0.00 2.94 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 0.00 116 E 8.28 4.16 0.00 2.32 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 0.00 2.27 2.37 0.00 117 M 7.91 4.41 0.00 1.73 1.89 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.50 0.00 118 F 7.33 5.15 0.00 3.28 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 0.00 119 L 9.12 4.70 0.00 1.75 1.48 1.07 1.17 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 0.00 120 A 10.11 3.88 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.24 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.45 4.86 0.00 2.03 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 2.23 2.40 0.00 123 I 8.31 3.94 1.85 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.72 0.79 0.00 0.00 124 R 7.50 4.38 0.00 1.72 1.84 0.00 3.24 0.00 0.00 3.39 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 125 E 7.78 4.67 0.00 1.99 1.76 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 2.21 2.32 0.00 126 T 8.47 4.19 4.20 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 0.00 0.00 0.00 1.13 0.00 0.00 127 S 8.11 4.23 0.00 3.89 3.80 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 0.00 128 Q 8.71 4.01 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.62 0.00 129 T 7.78 3.87 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 1.21 0.00 0.00 130 K 7.75 4.00 0.00 1.80 1.83 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.43 7.81 131 V 7.79 3.66 2.04 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 0.94 0.00 0.00 0.88 0.00 0.00 132 L 7.91 3.99 0.00 1.74 1.76 0.92 0.57 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 0.00 133 K 7.88 3.94 0.00 1.95 2.01 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.45 7.81 134 Q 8.09 4.09 0.00 2.21 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.50 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 135 L 7.73 3.92 0.00 1.68 1.57 0.51 0.48 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 0.00 136 L 7.71 4.40 0.00 1.74 1.73 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 137 M 7.40 4.23 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.73 0.00 138 L 7.92 4.20 0.00 1.78 1.66 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 139 Q 8.73 3.92 0.00 2.36 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.93 0.00 0.00 0.00 0.00 0.00 2.21 2.40 0.00 140 S 8.47 4.58 0.00 3.98 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 0.00 141 L 7.62 4.38 0.00 1.68 1.65 0.94 0.92 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 0.00 142 E 8.77 4.11 0.00 1.91 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