NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4387 8.2893 120.3477 55.5288 33.3763 174.2072 2 E 4.7304 8.2203 122.0294 54.6752 32.7271 172.4636 3 A 4.5322 9.2047 122.5958 50.1381 22.4788 177.6638 4 K 4.2070 8.6609 121.8066 55.9253 34.1241 177.9025 5 A 4.4083 8.4588 123.4072 51.3987 18.0375 177.6809 6 I 3.1980 9.3138 126.3676 62.5320 33.7975 171.2189 7 A 4.5176 8.6720 127.7501 50.4799 19.8893 177.2472 8 R 4.5854 8.3326 121.9590 55.0922 32.3628 175.2758 9 Y 3.8480 8.8577 113.7989 58.9543 35.5535 173.5518 10 V 3.4249 8.2652 121.2616 64.4601 32.4781 175.0209 11 R 3.7273 9.0070 115.4976 55.9558 26.8208 174.7934 12 I 4.2038 6.6510 115.1268 58.7668 41.4397 173.8037 13 S 4.2493 8.3668 120.6408 57.5302 63.7540 172.5960 14 P 4.1735 0.0000 0.0000 66.2581 30.2295 178.9396 15 R 3.8828 7.8725 115.8043 59.4537 29.9011 178.9713 16 K 4.1581 7.8465 116.5674 59.5282 32.7938 179.3556 17 V 3.9351 7.8080 111.1966 62.9191 31.5324 178.7933 18 R 3.9229 8.2504 118.9881 59.6998 29.8203 178.9299 19 L 3.9005 7.1271 117.8411 57.8382 41.9087 179.8366 20 V 3.7286 7.7644 117.5950 66.1130 31.7415 177.7799 21 V 3.6471 7.6545 117.6494 66.5815 31.0009 177.7040 22 D 4.4630 8.4495 117.6283 57.1904 40.7207 178.2304 23 L 4.2729 8.2569 118.4071 56.0773 41.7807 177.4560 24 I 4.3250 7.4597 110.4198 60.3764 39.4345 175.0375 25 R 3.6931 8.1278 120.6967 58.2116 29.7746 175.7889 26 G 3.9182 9.1234 115.5687 46.2362 0.0000 172.5365 27 K 4.7071 7.6758 116.1421 52.9103 36.7752 176.5259 28 S 4.5006 8.7510 116.0979 59.2889 63.9477 175.2455 29 L 3.4380 8.3881 127.5461 58.2818 41.6701 179.1009 30 E 3.8800 8.0839 118.6636 59.3220 29.8049 178.1510 31 E 3.9431 7.8029 118.8307 59.1317 29.8033 178.2570 32 A 4.0348 8.8067 121.9154 55.6338 18.2991 179.8806 33 R 3.9304 7.8257 115.6370 59.2735 30.1223 178.9220 34 N 4.3767 8.2117 116.3264 56.1423 38.2294 177.6384 35 I 3.7838 8.0107 120.9429 64.2884 37.6800 177.8154 36 L 4.1031 7.7129 119.2957 58.1258 41.2967 179.2905 37 R 3.6204 7.8741 116.9647 59.3323 30.2453 178.4203 38 Y 4.9685 7.4769 114.7046 57.3800 39.1900 176.0304 39 T 4.5219 7.5171 117.1535 61.9923 70.5695 175.8365 40 N 4.7351 8.5730 128.6105 51.9714 36.1057 173.4933 41 K 4.7426 7.3160 119.9425 54.4501 37.3404 178.0065 42 R 3.9396 8.8503 120.8277 59.6761 30.5685 178.6786 43 G 4.1398 8.6228 104.1804 48.3394 0.0000 174.8400 44 A 4.0090 7.6269 121.8149 55.1099 18.2213 179.2467 45 Y 3.7131 8.3129 118.3574 60.8211 38.8668 178.1228 46 F 4.1195 7.9555 118.0210 60.6809 39.1753 177.4797 47 V 3.6049 8.1994 117.7749 66.0997 31.1760 177.8188 48 A 3.8904 7.8563 120.0225 55.4128 18.2639 179.1386 49 K 3.5948 7.5667 116.7186 59.9209 32.0293 179.4704 50 V 3.6012 8.1110 118.7098 64.9944 31.1932 178.1280 51 L 3.8428 8.0825 121.1019 57.7120 41.8832 178.4273 52 E 3.8500 8.4795 119.6185 59.4442 29.5312 178.7852 53 S 4.0361 8.1762 112.8141 61.1880 62.3937 175.7399 54 A 4.0592 8.2477 123.5663 55.3594 17.9748 179.4574 55 A 3.8862 8.0193 118.8327 55.3918 18.3230 179.3331 56 A 3.9579 7.8009 119.2714 54.9254 18.3777 179.1195 57 N 4.1023 8.3938 113.6084 56.7502 38.7860 177.2928 58 A 3.8765 7.9677 121.6957 55.1930 18.2862 179.3884 59 V 4.0108 7.4292 115.6575 65.2294 32.0011 177.9332 60 N 4.3591 8.5149 115.6928 55.6024 38.5298 175.6905 61 N 4.7803 8.7535 115.4711 53.6208 39.9562 175.0488 62 H 4.7570 7.9544 112.4899 54.3872 30.8912 173.6572 63 D 4.3709 7.4724 113.4490 54.7963 37.5577 172.9123 64 M 4.8166 8.0066 122.7829 53.4905 34.6400 172.3437 65 L 3.7470 8.0434 125.4359 53.9142 39.9968 174.3447 66 E 3.8938 8.8072 125.2612 59.5265 29.6287 178.0284 67 D 4.8370 8.0036 114.4660 55.1309 40.5741 176.3510 68 R 4.7413 8.1220 116.5389 55.7794 32.9355 175.1041 69 L 4.9016 7.9708 120.2013 54.6717 43.8842 175.1392 70 Y 4.8307 7.8757 116.4254 56.1196 41.8310 174.6334 71 V 3.9773 8.7787 122.4478 62.2064 28.9962 176.0122 72 K 3.6097 7.9111 124.9276 58.2261 32.6572 175.8770 73 A 4.5736 7.1949 116.7995 51.6075 22.3574 174.8418 74 A 4.4572 8.0434 117.9931 51.7158 22.0678 175.2430 75 Y 4.6803 7.5430 116.3981 56.5927 41.9541 173.0132 76 V 4.9533 8.6591 119.7087 61.5124 34.0674 174.2530 77 D 4.9670 8.7885 127.4976 52.7635 43.2233 175.5035 78 E 4.3689 8.7088 122.8254 55.8542 30.7557 175.7178 79 G 4.0446 8.4373 113.5971 43.0281 0.0000 171.1330 80 P 4.1905 0.0000 0.0000 62.8287 31.2884 176.2256 81 A 4.3157 8.2941 124.8485 51.5576 19.8362 176.5436 82 L 4.3850 8.9805 120.7424 53.4231 43.0071 176.2668 83 K 4.6486 8.5517 124.4836 55.9494 32.9732 176.7341 84 R 4.7622 8.7913 122.9582 54.3941 34.7446 174.3138 85 V 4.6349 8.2516 119.8046 61.8132 33.6415 175.6332 86 L 4.7595 9.2498 128.4383 51.9526 43.3142 172.9846 87 P 4.6484 0.0000 0.0000 62.7215 31.8895 176.3626 88 R 4.6235 8.3037 118.4048 53.4854 33.6206 174.7207 89 A 4.1873 8.3751 121.4251 53.9986 18.6021 177.2504 90 R 3.7305 8.7334 116.9612 58.3451 27.8771 177.2146 91 G 3.9772 8.0687 101.1577 46.7677 0.0000 173.2102 92 R 3.9217 8.6393 120.0031 57.5103 31.2486 174.6280 93 A 3.5537 7.9415 123.5641 52.6118 15.6526 175.5190 94 D 5.0893 8.4238 120.4317 53.4644 44.0680 175.6865 95 I 4.7224 8.1457 114.3286 59.5311 39.3886 174.5632 96 I 4.2332 8.7216 128.6474 59.5542 39.6065 174.4634 97 K 4.5631 8.6088 129.2130 55.6138 32.9066 176.9461 98 K 4.3332 9.2638 127.2408 54.9215 32.0933 177.0579 99 R 4.5177 8.3739 124.7262 56.3506 31.8497 175.7467 100 T 4.8475 8.1501 109.1496 60.4310 72.4489 173.0858 101 S 4.9972 8.6991 119.0728 57.3521 67.2325 172.7973 102 H 5.8962 8.9119 117.9647 53.1726 30.5699 171.8886 103 I 4.1049 8.1822 122.9196 60.7549 37.8564 174.2139 104 T 4.7213 8.4714 124.4007 62.2571 70.3518 174.7663 105 V 4.4740 7.9644 125.1495 60.9718 32.6538 174.6394 106 I 4.1754 7.7486 125.9132 61.0608 38.3461 175.2986 107 L 4.7370 8.2581 122.2680 53.3126 46.3561 175.7497 108 G 4.3658 8.3251 108.5989 44.1300 0.0000 171.1234 109 E 4.1628 8.5899 118.9283 55.8971 30.1348 177.3721 110 K 3.6471 9.6463 127.1369 58.5276 31.2378 176.2068 111 H 4.3008 8.3737 123.9976 53.3597 31.6918 175.1039 112 G 4.0663 7.7203 113.7720 45.4012 0.0000 173.9674 113 K 4.2246 8.1207 125.0655 54.5547 31.7242 178.9888 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 8.29 4.44 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.60 0.00 2 E 8.22 4.73 0.00 2.05 1.77 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 2.13 2.32 0.00 3 A 9.20 4.53 1.11 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 0.00 0.00 4 K 8.66 4.21 0.00 1.62 1.73 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.41 7.81 5 A 8.46 4.41 0.98 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 6 I 9.31 3.20 1.86 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 1.37 0.40 0.92 0.00 0.00 7 A 8.67 4.52 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 8 R 8.33 4.59 0.00 1.68 1.80 0.00 3.25 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.47 0.00 9 Y 8.86 3.85 0.00 2.87 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 10 V 8.27 3.42 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 0.06 0.00 0.00 0.97 0.00 0.00 11 R 9.01 3.73 0.00 1.97 1.96 0.00 3.31 0.00 0.00 3.03 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 12 I 6.65 4.20 1.62 0.00 0.00 1.00 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 0.70 0.69 0.00 0.00 13 S 8.37 4.25 0.00 3.92 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 14 P 0.00 4.17 0.00 2.18 2.08 0.00 3.66 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 15 R 7.87 3.88 0.00 1.85 2.00 0.00 3.12 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 16 K 7.85 4.16 0.00 1.90 1.90 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.53 7.81 17 V 7.81 3.94 2.16 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 1.01 0.00 0.00 0.97 0.00 0.00 18 R 8.25 3.92 0.00 2.04 2.00 0.00 3.18 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.89 0.00 19 L 7.13 3.90 0.00 1.94 1.77 1.05 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.76 3.73 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 1.02 0.00 0.00 1.01 0.00 0.00 21 V 7.65 3.65 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 1.00 0.00 0.00 1.00 0.00 0.00 22 D 8.45 4.46 0.00 2.87 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 23 L 8.26 4.27 0.00 1.86 1.75 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.46 4.32 1.89 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 1.43 0.68 0.92 0.00 0.00 25 R 8.13 3.69 0.00 1.82 1.99 0.00 3.32 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 26 G 9.12 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 0.00 0.00 0.00 27 K 7.68 4.71 0.00 1.84 1.67 0.00 1.76 0.00 0.00 1.95 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.58 7.81 28 S 8.75 4.50 0.00 4.08 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 29 L 8.39 3.44 0.00 1.75 1.75 0.90 0.67 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 30 E 8.08 3.88 0.00 2.13 1.94 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 2.39 2.43 0.00 31 E 7.80 3.94 0.00 2.06 1.95 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 2.33 2.35 0.00 32 A 8.81 4.03 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 33 R 7.83 3.93 0.00 2.01 1.93 0.00 3.11 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 2.00 0.00 34 N 8.21 4.38 0.00 2.97 2.95 0.00 0.00 7.03 6.61 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 35 I 8.01 3.78 1.89 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 1.56 0.61 0.94 0.00 0.00 36 L 7.71 4.10 0.00 1.67 1.68 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.87 3.62 0.00 1.57 1.92 0.00 2.67 0.00 0.00 2.88 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.50 0.00 38 Y 7.48 4.97 0.00 3.01 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 39 T 7.52 4.52 4.45 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 1.25 0.00 0.00 40 N 8.57 4.74 0.00 2.71 2.79 0.00 0.00 7.01 6.68 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 41 K 7.32 4.74 0.00 1.81 1.67 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.40 7.81 42 R 8.85 3.94 0.00 1.90 2.02 0.00 3.27 0.00 0.00 3.45 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.68 0.00 43 G 8.62 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 0.00 0.00 0.00 44 A 7.63 4.01 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 45 Y 8.31 3.71 0.00 2.86 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.96 4.12 0.00 3.32 3.13 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 47 V 8.20 3.60 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 1.10 0.00 0.00 1.00 0.00 0.00 48 A 7.86 3.89 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 49 K 7.57 3.59 0.00 1.86 1.79 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.96 1.10 7.81 50 V 8.11 3.60 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 0.89 0.00 0.00 0.98 0.00 0.00 51 L 8.08 3.84 0.00 1.89 1.82 0.90 1.08 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 52 E 8.48 3.85 0.00 2.19 1.92 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 2.25 2.32 0.00 53 S 8.18 4.04 0.00 3.91 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 54 A 8.25 4.06 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 55 A 8.02 3.89 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 56 A 7.80 3.96 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 8.39 4.10 0.00 2.91 2.97 0.00 0.00 7.00 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 58 A 7.97 3.88 1.39 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 59 V 7.43 4.01 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 1.04 0.00 0.00 1.01 0.00 0.00 60 N 8.51 4.36 0.00 2.81 2.84 0.00 0.00 6.95 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 61 N 8.75 4.78 0.00 2.58 2.64 0.00 0.00 6.82 6.30 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 62 H 7.95 4.76 0.00 3.19 3.23 0.00 6.01 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.47 4.37 0.00 2.82 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 64 M 8.01 4.82 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.51 0.00 65 L 8.04 3.75 0.00 1.90 1.80 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.81 3.89 0.00 1.99 1.95 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 2.38 2.34 0.00 67 D 8.00 4.84 0.00 2.71 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 68 R 8.12 4.74 0.00 1.85 1.86 0.00 3.22 0.00 0.00 3.11 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 69 L 7.97 4.90 0.00 1.59 1.55 0.89 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 7.88 4.83 0.00 2.97 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 71 V 8.78 3.98 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 0.92 0.00 0.00 0.98 0.00 0.00 72 K 7.91 3.61 0.00 1.22 1.51 0.00 1.69 0.00 0.00 2.40 0.00 0.00 3.10 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.45 7.81 73 A 7.19 4.57 1.21 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 74 A 8.04 4.46 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 0.00 0.00 0.00 0.00 0.00 75 Y 7.54 4.68 0.00 2.92 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 76 V 8.66 4.95 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 0.88 0.00 0.00 0.99 0.00 0.00 77 D 8.79 4.97 0.00 2.82 2.54 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 78 E 8.71 4.37 0.00 1.94 1.78 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 2.20 2.25 0.00 79 G 8.44 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 80 P 0.00 4.19 0.00 2.03 1.96 0.00 3.47 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 81 A 8.29 4.32 1.19 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 82 L 8.98 4.39 0.00 1.63 1.60 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.55 4.65 0.00 1.62 1.73 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.44 7.81 84 R 8.79 4.76 0.00 1.69 1.77 0.00 3.26 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 85 V 8.25 4.63 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 0.78 0.00 0.00 0.93 0.00 0.00 86 L 9.25 4.76 0.00 1.70 1.46 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.65 0.00 2.21 2.05 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 88 R 8.30 4.62 0.00 1.81 1.84 0.00 3.31 0.00 0.00 3.40 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.69 0.00 89 A 8.38 4.19 1.24 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 0.00 0.00 0.00 90 R 8.73 3.73 0.00 1.97 2.04 0.00 3.52 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 91 G 8.07 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 92 R 8.64 3.92 0.00 1.97 1.95 0.00 3.42 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 93 A 7.94 3.55 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 94 D 8.42 5.09 0.00 2.78 2.57 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 95 I 8.15 4.72 1.86 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 1.22 0.61 0.90 0.00 0.00 96 I 8.72 4.23 1.86 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 1.22 1.23 0.90 0.00 0.00 97 K 8.61 4.56 0.00 1.66 1.73 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.45 7.81 98 K 9.26 4.33 0.00 1.75 1.76 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.54 7.81 99 R 8.37 4.52 0.00 1.70 1.82 0.00 3.47 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.55 0.00 100 T 8.15 4.85 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 1.20 0.00 0.00 101 S 8.70 5.00 0.00 3.72 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 0.00 102 H 8.91 5.90 0.00 3.24 3.25 0.00 5.63 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 8.18 4.10 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.97 0.93 0.00 0.00 104 T 8.47 4.72 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 0.99 0.00 0.00 105 V 7.96 4.47 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 0.72 0.00 0.00 0.84 0.00 0.00 106 I 7.75 4.18 1.75 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.86 0.86 0.00 0.00 107 L 8.26 4.74 0.00 1.63 1.33 0.82 0.74 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 0.00 108 G 8.33 4.37 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 0.00 109 E 8.59 4.16 0.00 1.96 1.92 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 2.38 2.26 0.00 110 K 9.65 3.65 0.00 1.78 1.77 0.00 1.83 0.00 0.00 1.83 0.00 0.00 3.13 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.61 7.81 111 H 8.37 4.30 0.00 3.26 3.21 0.00 5.55 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 G 7.72 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 0.00 0.00 0.00 113 K 8.12 4.22 0.00 1.79 1.60 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.00 7.81