NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 S 4.4682 8.1933 115.4186 58.3704 64.4158 171.9343 17 M 4.7131 8.4815 121.0767 53.9027 33.5931 173.0184 18 E 4.9045 9.5776 122.3351 54.8911 34.7254 172.5823 19 A 5.2176 8.3621 122.5735 50.4233 22.5163 175.6211 20 R 4.6861 9.0217 116.0510 54.6006 33.6660 174.5605 21 V 4.5019 8.7132 121.5946 62.4265 31.2892 175.9792 22 V 4.0415 8.7601 122.2477 61.7224 32.5716 176.7513 23 G 3.9826 7.4790 106.7633 47.4127 0.0000 171.4799 24 S 5.0822 8.3203 112.2055 58.0144 65.4039 174.8567 25 E 4.6798 8.7930 118.0242 54.8939 33.2472 174.1049 26 L 4.7602 8.5307 123.3453 53.9928 43.2996 175.2363 27 V 4.2195 8.6595 126.5728 65.0820 34.2834 176.2300 28 D 5.0900 7.6887 118.3784 53.2114 37.8741 180.4585 29 T 4.2697 8.8382 109.3297 63.0375 69.9645 173.9643 30 Y 4.8696 7.4743 117.7655 55.8311 41.0212 175.1814 31 T 4.1849 8.4576 118.7578 63.6936 70.0732 173.4712 32 V 4.3898 8.6974 126.1364 61.4170 33.8835 174.0546 33 Y 4.8499 9.3624 126.2197 57.1298 40.1012 174.6380 34 I 4.7808 8.8099 124.1926 59.8726 39.5765 174.6490 35 I 4.8529 8.7588 128.9459 59.4673 39.7974 174.6371 36 Q 4.6161 9.0154 129.6998 55.2048 30.5247 174.6335 37 V 4.5936 8.3516 125.7636 61.1742 35.2841 173.9825 38 T 4.6759 8.7968 120.6787 59.1611 70.6777 173.6859 39 D 4.9242 8.5294 125.7408 52.4329 40.1303 176.9159 40 G 4.0621 8.3777 109.3573 45.5098 0.0000 174.7686 41 S 4.5088 9.0992 114.9922 59.6936 64.3578 173.3355 42 H 5.1733 8.2315 115.2358 54.1576 32.8841 171.1835 43 E 4.9151 8.6787 117.0959 54.9650 32.6031 174.5470 44 W 5.2687 8.2657 117.9829 56.1046 32.3975 172.8853 45 T 5.1887 8.7248 115.5318 61.9494 70.7124 174.4008 46 V 4.5903 8.7945 118.1215 59.4439 35.9751 174.5401 47 K 5.2440 8.5824 121.8452 55.2052 35.0280 174.9343 48 H 5.3599 9.2094 120.5314 54.4566 33.7508 173.6824 49 R 5.0616 8.9994 120.4940 54.9291 30.8087 177.1205 50 Y 3.8663 9.1986 120.4204 61.2400 38.6276 178.7690 51 S 4.3545 8.2338 114.3028 61.5673 62.9823 176.0305 52 D 4.5261 8.2565 122.6294 57.1396 40.5429 178.5952 53 F 3.8180 8.4720 118.2938 60.5005 38.8026 177.4495 54 H 4.2949 8.0582 115.6662 58.7458 28.6636 177.3042 55 D 4.3874 8.2593 120.7945 57.1727 40.6866 178.4472 56 L 3.8404 7.8164 120.8055 58.4298 41.9499 178.4133 57 H 4.1838 8.1575 118.0025 59.5405 29.7093 177.0350 58 E 3.9788 8.3541 120.2219 59.3553 29.2517 179.5223 59 K 3.9754 8.2177 118.5841 59.4197 32.0482 179.4575 60 L 3.9817 8.0202 119.3624 57.6537 41.5226 179.7192 61 V 3.5546 8.0388 118.2604 65.9385 31.2538 178.0326 62 A 4.0507 8.0713 119.8038 54.9534 18.3399 178.7078 63 E 4.1239 8.2245 114.3076 56.1501 29.8886 176.8929 64 R 3.9554 7.7617 117.1243 57.2897 28.2091 177.4129 65 K 4.4330 8.2824 118.3114 57.1611 33.0169 177.2904 66 I 4.6402 7.5706 112.5969 59.2937 40.7164 175.3457 67 D 4.6681 8.3949 122.3819 53.0347 40.5604 179.1829 68 K 4.2967 8.6206 121.8852 57.5363 31.6359 179.0601 69 N 4.7180 7.9600 114.0884 53.1287 37.8244 179.6698 70 L 4.6812 7.9086 122.7218 54.6763 43.5365 176.6493 71 L 4.4438 8.4057 126.5237 52.5895 41.9339 171.4708 72 P 3.9422 0.0000 0.0000 61.3964 31.9605 174.4224 73 P 4.0866 0.0000 0.0000 63.2276 31.5990 176.6199 74 K 4.3332 8.4408 124.1189 52.8069 32.0995 173.9413 75 K 3.6558 8.7422 126.3845 54.3838 32.5811 175.8134 76 I 4.4398 8.0587 119.4210 58.9757 39.6098 174.8010 77 I 4.5173 8.2098 124.0736 59.4424 39.9051 175.2865 78 G 4.3871 8.1909 114.3871 44.4553 0.0000 173.0505 79 K 4.0570 8.9063 119.7697 57.3122 31.9479 172.5881 80 N 5.1028 7.9764 116.6642 50.6447 41.0568 176.2042 81 S 4.1893 8.4920 113.8625 61.1736 63.1196 175.4925 82 R 4.2826 7.8494 118.2145 56.5011 30.5311 176.3849 83 S 4.1291 7.6375 115.3242 59.9183 63.4340 174.0590 84 L 3.7628 8.8614 122.4884 55.7452 39.2752 176.8600 85 V 3.7968 7.5303 122.0098 65.0610 31.1439 178.0984 86 E 4.0193 8.2271 118.6885 58.8851 29.1850 179.0657 87 K 3.9865 7.9779 119.8136 59.3834 32.3324 179.1000 88 R 3.9962 8.0108 117.8935 59.3431 30.1038 178.6228 89 E 3.9116 8.6259 118.7079 59.3424 29.4983 179.4532 90 K 3.9567 8.0383 119.4998 59.5659 32.2833 178.5598 91 D 4.3904 8.3758 119.5547 57.4324 40.6409 178.9098 92 L 3.5178 7.7242 119.4131 57.3178 41.4226 179.0948 93 E 3.9316 8.1238 119.3097 59.2275 29.6561 178.8917 94 V 3.5580 8.1821 118.6458 66.2609 31.6148 177.2842 95 Y 4.0422 8.0854 119.0896 60.7380 38.6344 177.8888 96 L 3.8638 8.4191 121.5975 58.1822 42.1258 178.9513 97 Q 4.0062 8.5797 118.5911 58.5232 28.5729 178.6092 98 K 3.8123 7.8484 119.5595 59.5708 31.9273 178.9549 99 L 3.9121 7.1215 117.3642 58.1123 41.8950 179.5311 100 L 4.2123 7.9484 118.3826 57.6765 41.3563 179.2683 101 A 3.9771 8.1392 120.0127 55.1436 18.3690 179.2601 102 A 3.9047 7.8070 117.8203 53.3765 19.7362 177.7951 103 F 4.8769 7.2988 114.5783 54.9412 39.3225 172.8307 104 P 4.4960 0.0000 0.0000 64.7893 33.5651 178.1819 105 G 3.7686 8.2203 102.5673 45.3528 0.0000 176.4262 106 V 3.6339 9.0573 119.9466 63.1329 32.3099 174.1081 107 T 4.2640 8.2987 124.2236 61.6514 69.7431 173.5482 108 P 4.1557 0.0000 0.0000 62.7742 33.1680 177.4781 109 R 3.7961 8.4050 120.5187 59.7015 30.1843 179.4210 110 V 3.5866 7.6035 111.7530 64.1344 31.5495 178.1594 111 L 3.9212 7.7290 119.4810 58.0731 41.7675 178.6134 112 A 4.1263 7.9997 120.7466 55.4790 18.1984 179.3488 113 H 4.5440 8.5840 114.9607 59.2201 28.6566 177.6053 114 F 4.1073 8.0078 120.5857 61.4385 39.2773 176.6404 115 L 4.3304 8.2346 115.8730 56.3671 41.7191 177.1203 116 H 4.7049 7.8848 114.1211 55.2243 31.0365 173.9657 117 F 4.9608 8.1527 116.7564 55.4040 42.1532 174.7500 118 H 4.3042 8.6436 120.4233 54.9589 29.1818 176.7864 119 F 4.2736 8.5883 117.1852 60.2222 37.5508 176.8833 120 Y 4.1658 5.9798 116.5662 57.9658 38.1329 175.5848 121 E 4.3115 7.5281 119.1225 56.4889 30.6097 175.7972 122 I 4.1131 7.1768 120.7721 60.0288 38.0554 175.5711 123 N 4.5862 8.3791 121.8473 53.4963 39.4400 174.2060 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 16 S 8.19 4.47 0.00 4.04 4.08 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 17 M 8.48 4.71 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.62 0.00 18 E 9.58 4.90 0.00 1.57 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 2.12 2.10 0.00 19 A 8.36 5.22 1.16 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 20 R 9.02 4.69 0.00 2.02 1.94 0.00 2.75 0.00 0.00 3.07 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.54 0.00 21 V 8.71 4.50 2.24 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 0.93 0.00 0.00 1.05 0.00 0.00 22 V 8.76 4.04 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 0.70 0.00 0.00 0.96 0.00 0.00 23 G 7.48 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 0.00 0.00 0.00 24 S 8.32 5.08 0.00 3.42 3.71 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 0.00 0.00 0.00 0.00 25 E 8.79 4.68 0.00 1.99 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 2.19 2.27 0.00 26 L 8.53 4.76 0.00 1.56 1.57 0.93 0.86 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 27 V 8.66 4.22 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 0.85 0.00 0.00 0.94 0.00 0.00 28 D 7.69 5.09 0.00 2.73 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 29 T 8.84 4.27 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 1.11 0.00 0.00 30 Y 7.47 4.87 0.00 2.96 2.86 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 31 T 8.46 4.18 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 0.56 0.00 0.00 32 V 8.70 4.39 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 1.27 0.00 0.00 1.02 0.00 0.00 33 Y 9.36 4.85 0.00 3.28 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 34 I 8.81 4.78 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.85 0.96 0.00 0.00 35 I 8.76 4.85 1.98 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 1.35 0.91 0.98 0.00 0.00 36 Q 9.02 4.62 0.00 2.08 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.75 0.00 0.00 0.00 0.00 0.00 2.18 2.31 0.00 37 V 8.35 4.59 0.68 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 0.42 0.00 0.00 0.71 0.00 0.00 38 T 8.80 4.68 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 1.09 0.00 0.00 39 D 8.53 4.92 0.00 2.98 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 40 G 8.38 4.06 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 0.00 0.00 0.00 41 S 9.10 4.51 0.00 3.98 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 42 H 8.23 5.17 0.00 3.52 3.36 0.00 5.56 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.68 4.92 0.00 1.86 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 2.20 2.26 0.00 44 W 8.27 5.27 0.00 3.34 3.28 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 45 T 8.72 5.19 4.34 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 1.27 0.00 0.00 46 V 8.79 4.59 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 0.83 0.00 0.00 0.90 0.00 0.00 47 K 8.58 5.24 0.00 1.79 1.94 0.00 1.70 0.00 0.00 1.98 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.52 7.81 48 H 9.21 5.36 0.00 3.07 3.18 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 R 9.00 5.06 0.00 1.84 1.83 0.00 2.91 0.00 0.00 2.58 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.67 0.00 50 Y 9.20 3.87 0.00 3.27 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 51 S 8.23 4.35 0.00 4.06 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.26 4.53 0.00 3.11 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 F 8.47 3.82 0.00 2.84 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 54 H 8.06 4.29 0.00 3.40 3.34 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 D 8.26 4.39 0.00 2.88 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 56 L 7.82 3.84 0.00 1.38 1.54 0.73 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 57 H 8.16 4.18 0.00 3.43 3.50 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.35 3.98 0.00 2.22 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 2.38 2.61 0.00 59 K 8.22 3.98 0.00 1.94 1.84 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.62 7.81 60 L 8.02 3.98 0.00 1.85 1.74 0.92 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.04 3.55 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 0.89 0.00 0.00 62 A 8.07 4.05 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 63 E 8.22 4.12 0.00 2.00 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 2.33 2.45 0.00 64 R 7.76 3.96 0.00 1.98 2.02 0.00 3.16 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 65 K 8.28 4.43 0.00 1.85 2.11 0.00 1.61 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.61 1.57 7.81 66 I 7.57 4.64 1.91 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 1.30 0.68 1.09 0.00 0.00 67 D 8.39 4.67 0.00 2.63 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 68 K 8.62 4.30 0.00 1.77 1.74 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.00 7.81 69 N 7.96 4.72 0.00 2.73 2.73 0.00 0.00 6.46 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 70 L 7.91 4.68 0.00 1.58 1.64 1.03 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.41 4.44 0.00 1.71 1.43 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 3.94 0.00 2.09 1.73 0.00 3.68 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 1.91 1.87 0.00 73 P 0.00 4.09 0.00 1.86 1.70 0.00 3.03 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 1.16 0.00 74 K 8.44 4.33 0.00 1.79 1.66 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.31 0.98 7.81 75 K 8.74 3.66 0.00 0.79 1.39 0.00 1.02 0.00 0.00 1.55 0.00 0.00 3.03 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.03 0.29 7.81 76 I 8.06 4.44 1.84 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.09 0.89 0.00 0.00 77 I 8.21 4.52 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.58 0.90 0.00 0.00 78 G 8.19 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.91 4.06 0.00 1.79 1.74 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.04 7.81 80 N 7.98 5.10 0.00 2.72 2.73 0.00 0.00 6.86 7.23 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 81 S 8.49 4.19 0.00 3.96 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 82 R 7.85 4.28 0.00 1.86 2.00 0.00 3.29 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 83 S 7.64 4.13 0.00 4.03 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 84 L 8.86 3.76 0.00 1.89 1.76 0.92 0.90 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 85 V 7.53 3.80 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 1.04 0.00 0.00 1.04 0.00 0.00 86 E 8.23 4.02 0.00 2.10 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 2.42 2.46 0.00 87 K 7.98 3.99 0.00 1.92 2.06 0.00 1.54 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.53 7.81 88 R 8.01 4.00 0.00 2.25 2.14 0.00 3.33 0.00 0.00 3.49 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.80 0.00 89 E 8.63 3.91 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.77 0.00 90 K 8.04 3.96 0.00 1.97 1.94 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.52 7.81 91 D 8.38 4.39 0.00 2.83 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 92 L 7.72 3.52 0.00 1.26 0.55 -0.72 -1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.12 3.93 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 94 V 8.18 3.56 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 0.95 0.00 0.00 0.96 0.00 0.00 95 Y 8.09 4.04 0.00 3.06 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 96 L 8.42 3.86 0.00 2.20 1.95 1.03 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 97 Q 8.58 4.01 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.55 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 98 K 7.85 3.81 0.00 1.84 1.75 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.60 7.81 99 L 7.12 3.91 0.00 1.67 1.75 0.79 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 100 L 7.95 4.21 0.00 1.85 1.73 0.98 1.10 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 0.00 101 A 8.14 3.98 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 0.00 102 A 7.81 3.90 0.91 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 0.00 103 F 7.30 4.88 0.00 3.03 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 0.00 104 P 0.00 4.50 0.00 2.05 2.11 0.00 3.68 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.21 0.00 105 G 8.22 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 0.00 0.00 0.00 106 V 9.06 3.63 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 0.82 0.00 0.00 0.94 0.00 0.00 107 T 8.30 4.26 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 1.15 0.00 0.00 108 P 0.00 4.16 0.00 1.79 1.71 0.00 2.85 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 1.40 0.00 109 R 8.40 3.80 0.00 1.79 1.82 0.00 3.21 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.58 0.00 110 V 7.60 3.59 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.90 0.00 0.00 111 L 7.73 3.92 0.00 1.58 1.68 0.90 0.91 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 0.00 112 A 8.00 4.13 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 0.00 113 H 8.58 4.54 0.00 3.48 3.53 0.00 5.66 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 0.00 114 F 8.01 4.11 0.00 3.09 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 0.00 115 L 8.23 4.33 0.00 1.85 1.82 1.01 1.03 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 0.00 116 H 7.88 4.70 0.00 2.78 2.56 0.00 5.79 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 F 8.15 4.96 0.00 2.99 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 0.00 118 H 8.64 4.30 0.00 1.65 2.20 0.00 5.63 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 F 8.59 4.27 0.00 3.44 3.46 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 0.00 120 Y 5.98 4.17 0.00 2.81 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 0.00 121 E 7.53 4.31 0.00 1.93 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 2.29 1.97 0.00 122 I 7.18 4.11 1.94 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 1.28 0.75 0.96 0.00 0.00 123 N 8.38 4.59 0.00 2.61 2.63 0.00 0.00 6.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00