NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3128 8.3149 120.0012 56.5156 33.9453 175.1015 3 T 4.3171 8.0997 116.3552 62.7014 69.1357 173.8006 4 R 4.1531 9.8301 127.7339 58.7271 31.3796 177.0869 5 I 4.4208 7.2728 115.8968 58.6464 40.9805 175.7994 6 N 4.4352 8.4711 123.6061 52.9153 37.8160 174.7987 7 Y 4.0600 7.8989 126.0607 59.5727 38.2361 177.8272 8 A 3.7039 6.9938 122.0691 54.3720 18.0754 179.2022 9 K 3.9377 7.4302 116.2999 59.1535 32.4487 178.6154 10 A 4.3037 7.8272 120.3392 53.8600 19.5378 177.6874 11 S 4.5183 8.1620 112.4310 54.7008 63.1612 172.0032 12 P 4.6127 0.0000 0.0000 64.5840 31.2787 177.6710 13 E 4.0227 8.2334 116.6578 59.2317 29.5621 179.0307 14 A 4.0143 7.8443 120.3789 55.0755 18.4406 179.3414 15 F 4.2691 8.4505 119.2553 61.4913 39.4118 177.1529 16 K 3.8519 8.5428 119.0627 59.5119 31.8347 178.5691 17 A 3.9435 8.0633 121.0215 55.1705 18.3228 179.8469 18 V 3.2389 7.5561 116.6346 66.0658 31.4793 177.9469 19 M 4.2364 8.0586 117.9584 58.4331 32.0383 177.8331 20 A 4.0163 8.2921 121.4326 55.2482 18.5425 179.4113 21 L 3.9631 7.6573 118.7383 58.1971 42.2052 178.5339 22 E 4.1314 8.3647 119.3064 59.7357 29.3571 178.6621 23 N 4.4054 8.6514 115.3806 56.3139 38.9226 176.4200 24 Y 4.2309 8.1881 120.9463 60.7410 39.0473 178.2404 25 V 3.2908 7.8547 118.9880 66.2433 31.3664 177.8837 26 Q 4.0617 7.9420 116.5143 58.3774 28.3798 178.1360 27 S 4.5875 7.4716 112.5435 58.3342 63.3147 175.9987 28 S 3.5100 7.2296 118.3432 60.0648 62.7391 175.2333 29 G 3.9502 7.3849 110.1048 44.7479 0.0000 173.7938 30 L 4.1662 7.0241 119.2977 54.3133 42.5026 176.9827 31 E 3.9537 9.0134 121.8472 57.3130 30.0906 178.2220 32 H 4.1414 8.6943 119.7366 58.5829 28.7623 177.9179 33 R 3.8306 7.8018 120.4380 59.5816 29.7261 178.4091 34 F 4.7438 7.7658 117.0058 60.5007 38.8380 177.8738 35 I 3.7443 7.7991 119.1139 64.6674 36.9527 177.8485 36 H 4.2943 8.5825 117.4428 58.9003 28.5361 177.4716 37 L 3.9794 8.4433 121.9351 58.2873 41.9452 178.9640 38 I 3.6470 8.0185 119.6806 64.4323 37.1996 178.6083 39 K 3.9223 8.2176 119.2236 59.2785 31.8725 179.2889 40 L 3.9642 8.2986 120.9411 58.1429 42.0914 178.9500 41 R 3.7863 8.1055 118.5385 59.3825 29.9755 178.2198 42 A 3.9850 7.9239 120.5593 55.4065 18.3404 179.7936 43 S 4.2434 8.0716 113.3571 61.6672 62.8493 177.0247 44 I 3.7154 7.9229 122.4879 64.5111 36.6887 178.3669 45 I 3.7273 7.6021 119.1209 64.5292 37.1057 177.5710 46 N 4.6840 8.2845 114.0230 53.0070 38.5643 175.8406 47 G 3.7974 7.7079 108.4496 46.7832 0.0000 174.6303 48 C 4.4235 8.1000 121.1934 57.7052 31.0011 173.4942 49 A 4.0404 8.4391 130.4831 54.7267 18.0451 178.5294 50 F 4.0984 8.3835 118.7314 61.9414 39.4351 177.1159 51 C 4.0682 8.2677 115.7290 62.5440 27.9987 175.9213 52 V 3.5869 8.1665 120.3319 66.0489 31.0877 177.3680 53 D 4.1842 8.2389 118.0013 57.6056 40.8827 178.0404 54 M 3.7938 7.3838 118.4514 59.0545 32.1746 177.8907 55 H 4.3606 8.3258 116.3404 58.1712 28.9151 177.9503 56 V 3.6386 8.0957 120.8446 66.0298 31.3511 178.2468 57 K 3.9831 7.8097 117.6509 59.4141 31.9761 179.1956 58 E 3.9324 8.3986 119.0656 59.5866 29.4362 179.5398 59 S 3.8045 8.2049 115.2015 61.4797 62.8234 176.8122 60 R 3.8287 8.0396 121.2129 59.7907 29.6591 177.8972 61 H 4.0446 8.1130 116.6713 59.1721 29.7898 175.8243 62 D 4.7268 7.6229 117.8662 53.7479 40.7065 176.8742 63 G 3.7951 7.9063 107.3285 46.0137 0.0000 174.1482 64 L 3.9167 7.4297 119.3148 53.5559 42.4156 178.0312 65 S 4.3751 8.2076 117.2834 58.1623 65.1223 175.2590 66 E 4.0441 8.7461 122.7625 59.8142 29.2497 179.7171 67 Q 4.0041 8.1088 117.5271 58.7625 28.6542 178.3172 68 W 4.1435 8.0250 128.1066 60.6017 30.8187 177.9066 69 I 4.1053 8.1831 119.5315 64.7642 36.5344 178.2960 70 N 4.4501 8.8433 116.1568 55.7030 38.6697 176.5393 71 L 4.5124 8.0778 118.5350 55.2347 41.8384 178.1698 72 M 4.0949 8.0123 121.0723 57.8118 32.2086 177.8750 73 S 4.4142 8.1103 113.0767 60.3091 63.5857 174.4573 74 V 4.5427 8.0082 117.1089 60.3056 32.9173 177.6801 75 W 4.4532 8.4796 119.1652 59.5858 28.2528 178.2742 76 R 2.9020 6.7874 117.0024 58.1943 29.3900 176.9804 77 E 4.3936 7.5975 114.6320 55.8640 29.8667 175.2315 78 S 4.7244 7.8588 115.1302 55.9905 63.4834 172.1269 79 P 4.5951 0.0000 0.0000 63.4587 31.5151 177.2529 80 V 3.5665 7.4625 119.9241 66.0892 31.8038 176.1707 81 Y 4.7135 7.4105 117.4058 57.4797 38.7089 175.3273 82 T 4.3642 9.1456 115.0783 61.3935 71.1010 175.6324 83 E 3.9931 8.7310 121.0522 59.6616 29.4815 179.4735 84 Q 3.5661 7.9707 119.0242 59.1111 29.2080 177.9425 85 E 4.1145 8.4640 119.6273 59.5755 29.4609 179.5800 86 R 3.7086 8.4885 118.2577 58.9923 29.9748 178.9700 87 A 3.9894 8.0570 120.6412 55.0227 18.3994 179.4810 88 L 3.8031 7.9811 118.8015 58.2450 42.0892 179.1182 89 L 3.5677 8.0787 119.3595 57.4840 41.2546 179.6780 90 G 3.8457 7.9318 105.7538 47.6089 0.0000 175.5854 91 W 4.3091 8.0045 130.6755 60.1860 30.6946 178.1514 92 V 3.4585 8.2004 118.6755 66.1892 30.8584 177.7820 93 D 4.2947 8.3587 118.3286 57.3458 40.5280 178.5576 94 A 3.9020 7.7159 119.7456 55.2631 18.4517 179.5745 95 V 3.3311 7.3776 115.7857 66.0831 31.5762 178.0349 96 T 3.9358 7.8899 115.0664 65.5095 68.9803 175.7103 97 K 4.5399 7.8691 120.8005 55.7197 32.6219 178.3788 98 I 3.6215 7.6851 120.7419 64.3565 37.8672 176.1405 99 A 3.9290 7.8352 120.2377 54.5964 18.2833 178.6077 100 E 4.1038 7.9868 116.8869 58.9674 30.1798 177.7891 101 T 4.2985 7.9425 108.0094 61.3711 69.5781 175.6996 102 G 3.7228 8.3846 107.4302 45.2036 0.0000 173.4209 103 A 3.5836 7.7185 121.4256 51.8959 16.0150 176.6565 104 P 4.5525 0.0000 0.0000 61.4620 33.9354 176.4477 105 D 4.5638 8.8027 120.1721 58.0045 40.8131 179.0657 106 D 4.4181 8.2673 118.3102 57.4997 40.9587 178.6264 107 A 4.1862 8.1851 120.6796 55.1466 18.3862 179.3567 108 F 3.6264 8.4897 118.9886 61.4353 39.5950 177.3617 109 E 3.7176 8.7034 118.6903 59.5207 28.9896 179.4277 110 T 3.8646 7.7738 115.0181 66.4892 68.8312 176.0732 111 L 4.0734 7.6563 122.0672 58.2612 41.8568 179.2668 112 R 3.6727 7.4185 116.6212 58.8720 29.9387 178.5083 113 A 4.0466 7.4800 118.8327 54.0678 18.4307 177.4744 114 H 4.5524 7.9211 111.5344 55.0193 30.8872 173.7236 115 F 4.9167 7.5729 116.7384 54.5273 42.8627 175.0632 116 S 4.4453 9.1758 119.3424 57.9664 65.0522 175.2887 117 D 4.3325 8.5390 122.1498 57.4598 40.5388 178.6247 118 E 3.9443 8.1823 119.2529 59.4550 29.6988 178.5770 119 E 4.0044 8.0993 118.0440 59.5414 29.4963 179.4056 120 I 3.5452 8.0791 120.1770 64.1992 37.0553 178.6767 121 V 3.6341 8.0219 119.1160 65.9914 31.4024 178.1809 122 K 4.0801 8.0571 118.2066 59.5685 31.8120 179.2514 123 I 3.6678 8.1667 120.3553 64.9258 37.0319 178.7137 124 T 4.0555 8.2435 116.5215 66.4886 68.2233 177.1569 125 V 3.6143 8.1916 120.2638 65.8531 31.5715 177.9352 126 A 4.0610 8.2768 120.5969 55.2688 18.2636 179.6217 127 I 3.7607 8.2129 118.7888 64.3533 37.1687 178.7751 128 G 3.6185 8.2614 106.3160 47.7568 0.0000 175.3417 129 A 3.9339 8.2954 124.0741 54.9871 18.4178 179.6642 130 I 3.9633 7.9642 116.9633 64.3195 37.9100 177.7638 131 N 4.4338 8.3589 117.4508 56.3866 38.2750 177.6194 132 T 3.7396 7.8880 117.2079 66.3933 68.5520 176.6587 133 W 4.5123 7.9915 120.7909 60.1955 29.0942 178.3192 134 N 4.4815 8.8110 116.6108 56.5017 37.9256 177.7504 135 R 3.8517 7.8116 119.4547 59.0132 30.0661 179.2484 136 I 3.0250 7.7076 119.4094 64.0137 37.0599 178.3869 137 A 3.9108 8.1791 123.2584 54.6400 18.3237 179.9148 138 V 3.6237 7.9773 117.0244 66.0558 31.3973 178.2931 139 G 3.4502 7.7850 104.4333 47.0629 0.0000 174.0875 140 F 5.1277 7.9109 117.2846 56.2748 39.6487 175.9208 141 R 4.0059 7.9001 119.2063 56.9457 27.7454 176.6837 142 S 4.1592 8.1357 113.0990 58.8998 63.5376 174.0138 143 Q 4.9470 8.5335 123.5629 54.1904 30.0649 175.4849 144 H 4.5855 8.7539 118.7606 54.3014 29.6165 173.5201 145 P 4.4105 0.0000 0.0000 62.6881 31.9107 176.9120 146 V 4.0034 8.2023 119.7297 63.0806 31.5921 175.3553 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 2 K 8.31 4.31 0.00 1.89 1.90 0.00 1.55 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.48 7.81 3 T 8.10 4.32 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 1.29 0.00 0.00 4 R 9.83 4.15 0.00 1.99 2.05 0.00 3.35 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 5 I 7.27 4.42 1.04 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.34 0.60 0.00 0.00 6 N 8.47 4.44 0.00 2.64 2.60 0.00 0.00 6.97 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 7 Y 7.90 4.06 0.00 3.40 3.10 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 8 A 6.99 3.70 0.23 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 9 K 7.43 3.94 0.00 1.66 1.87 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.38 7.81 10 A 7.83 4.30 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 11 S 8.16 4.52 0.00 3.86 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 12 P 0.00 4.61 0.00 2.25 2.16 0.00 3.96 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 13 E 8.23 4.02 0.00 2.10 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 2.43 2.48 0.00 14 A 7.84 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 15 F 8.45 4.27 0.00 3.38 3.39 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 16 K 8.54 3.85 0.00 2.25 1.94 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.55 7.81 17 A 8.06 3.94 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 18 V 7.56 3.24 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 -0.67 0.00 0.00 0.67 0.00 0.00 19 M 8.06 4.24 0.00 2.17 1.81 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.60 0.00 20 A 8.29 4.02 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 21 L 7.66 3.96 0.00 1.68 1.78 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.36 4.13 0.00 2.66 2.42 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 2.51 2.55 0.00 23 N 8.65 4.41 0.00 2.92 2.92 0.00 0.00 7.03 7.32 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 24 Y 8.19 4.23 0.00 3.16 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 25 V 7.85 3.29 2.30 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 0.98 0.00 0.00 1.12 0.00 0.00 26 Q 7.94 4.06 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.64 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 27 S 7.47 4.59 0.00 4.03 4.05 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 0.00 0.00 0.00 28 S 7.23 3.51 0.00 3.81 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 29 G 7.38 3.95 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 0.00 0.00 0.00 30 L 7.02 4.17 0.00 1.65 1.69 0.92 0.92 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 31 E 9.01 3.95 0.00 1.76 1.56 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 2.37 2.44 0.00 32 H 8.69 4.14 0.00 3.11 3.22 0.00 5.63 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 R 7.80 3.83 0.00 1.59 1.45 0.00 2.90 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.35 0.00 34 F 7.77 4.74 0.00 3.33 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 35 I 7.80 3.74 1.96 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 1.64 0.72 0.92 0.00 0.00 36 H 8.58 4.29 0.00 3.51 3.58 0.00 5.63 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 37 L 8.44 3.98 0.00 2.31 2.11 1.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.02 3.65 2.04 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 1.50 0.48 0.92 0.00 0.00 39 K 8.22 3.92 0.00 1.66 1.33 0.00 1.63 0.00 0.00 1.39 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.56 7.81 40 L 8.30 3.96 0.00 1.86 1.75 0.97 0.78 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 41 R 8.11 3.79 0.00 1.73 1.86 0.00 3.20 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.62 0.00 42 A 7.92 3.99 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 43 S 8.07 4.24 0.00 4.15 4.01 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 44 I 7.92 3.72 2.03 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 1.54 0.70 0.94 0.00 0.00 45 I 7.60 3.73 2.03 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 1.56 0.65 0.91 0.00 0.00 46 N 8.28 4.68 0.00 2.79 2.87 0.00 0.00 7.10 7.81 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 47 G 7.71 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 0.00 0.00 0.00 48 C 8.10 4.42 0.00 3.07 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 49 A 8.44 4.04 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 50 F 8.38 4.10 0.00 3.38 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 51 C 8.27 4.07 0.00 3.14 3.10 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 52 V 8.17 3.59 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 1.09 0.00 0.00 1.01 0.00 0.00 53 D 8.24 4.18 0.00 2.49 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.38 3.79 0.00 1.74 1.59 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 55 H 8.33 4.36 0.00 3.24 3.38 0.00 5.68 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 8.10 3.64 2.28 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 1.05 0.00 0.00 1.03 0.00 0.00 57 K 7.81 3.98 0.00 1.93 1.80 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.53 7.81 58 E 8.40 3.93 0.00 2.04 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 2.31 2.47 0.00 59 S 8.20 3.80 0.00 4.14 4.01 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 60 R 8.04 3.83 0.00 2.01 2.10 0.00 3.11 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 61 H 8.11 4.04 0.00 3.27 3.46 0.00 5.80 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 D 7.62 4.73 0.00 2.73 2.59 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 0.00 0.00 0.00 0.00 63 G 7.91 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 0.00 0.00 0.00 64 L 7.43 3.92 0.00 1.51 0.97 0.36 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.21 4.38 0.00 4.07 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 66 E 8.75 4.04 0.00 2.03 2.25 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 2.42 2.37 0.00 67 Q 8.11 4.00 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.87 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 68 W 8.02 4.14 0.00 3.24 3.44 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 69 I 8.18 4.11 2.17 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.25 1.02 0.00 0.00 70 N 8.84 4.45 0.00 2.71 2.93 0.00 0.00 7.12 8.47 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 71 L 8.08 4.51 0.00 1.93 1.89 0.97 0.71 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 72 M 8.01 4.09 0.00 1.87 1.98 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.20 0.00 73 S 8.11 4.41 0.00 4.09 4.02 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 74 V 8.01 4.54 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 0.80 0.00 0.00 0.97 0.00 0.00 75 W 8.48 4.45 0.00 3.07 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 76 R 6.79 2.90 0.00 1.25 1.52 0.00 2.82 0.00 0.00 2.83 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 77 E 7.60 4.39 0.00 1.83 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 2.15 2.30 0.00 78 S 7.86 4.72 0.00 3.95 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 79 P 0.00 4.60 0.00 2.23 2.16 0.00 3.83 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 80 V 7.46 3.57 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 0.47 0.00 0.00 0.81 0.00 0.00 81 Y 7.41 4.71 0.00 3.27 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 82 T 9.15 4.36 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 1.34 0.00 0.00 83 E 8.73 3.99 0.00 2.04 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 2.46 2.37 0.00 84 Q 7.97 3.57 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.90 0.00 0.00 0.00 0.00 0.00 2.29 1.83 0.00 85 E 8.46 4.11 0.00 2.53 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 0.00 2.79 2.73 0.00 86 R 8.49 3.71 0.00 2.09 2.24 0.00 3.35 0.00 0.00 3.47 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 87 A 8.06 3.99 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 88 L 7.98 3.80 0.00 1.68 1.75 0.60 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 89 L 8.08 3.57 0.00 0.27 0.13 -0.16 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 90 G 7.93 3.85 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 0.00 0.00 0.00 91 W 8.00 4.31 0.00 3.27 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 92 V 8.20 3.46 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 0.98 0.00 0.00 0.91 0.00 0.00 93 D 8.36 4.29 0.00 3.07 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 94 A 7.72 3.90 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 95 V 7.38 3.33 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 -0.50 0.00 0.00 96 T 7.89 3.94 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 97 K 7.87 4.54 0.00 1.80 1.75 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.42 1.55 7.81 98 I 7.69 3.62 1.95 0.00 0.00 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 1.48 1.35 0.84 0.00 0.00 99 A 7.84 3.93 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 0.00 100 E 7.99 4.10 0.00 1.95 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 2.25 2.34 0.00 101 T 7.94 4.30 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 1.22 0.00 0.00 102 G 8.38 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 0.00 0.00 0.00 103 A 7.72 3.58 1.15 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 0.00 0.00 104 P 0.00 4.55 0.00 2.27 2.04 0.00 3.72 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.36 0.00 105 D 8.80 4.56 0.00 2.76 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 D 8.27 4.42 0.00 2.84 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 0.00 107 A 8.19 4.19 1.64 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 0.00 0.00 108 F 8.49 3.63 0.00 3.33 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 0.00 109 E 8.70 3.72 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 2.72 2.56 0.00 110 T 7.77 3.86 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 1.27 0.00 0.00 111 L 7.66 4.07 0.00 1.60 1.22 0.65 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 112 R 7.42 3.67 0.00 1.54 1.72 0.00 3.02 0.00 0.00 3.07 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.50 0.00 113 A 7.48 4.05 1.22 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 0.00 0.00 114 H 7.92 4.55 0.00 2.86 2.67 0.00 5.60 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 F 7.57 4.92 0.00 2.80 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 0.00 116 S 9.18 4.45 0.00 4.04 4.01 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 0.00 117 D 8.54 4.33 0.00 2.72 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 0.00 118 E 8.18 3.94 0.00 2.06 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 2.43 2.45 0.00 119 E 8.10 4.00 0.00 2.38 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 2.45 2.44 0.00 120 I 8.08 3.55 1.96 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.62 0.79 0.00 0.00 121 V 8.02 3.63 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 1.14 0.00 0.00 1.03 0.00 0.00 122 K 8.06 4.08 0.00 2.06 1.90 0.00 1.78 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.65 1.74 7.81 123 I 8.17 3.67 1.93 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.57 0.91 0.00 0.00 124 T 8.24 4.06 4.40 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 1.35 0.00 0.00 125 V 8.19 3.61 2.33 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 1.20 0.00 0.00 1.02 0.00 0.00 126 A 8.28 4.06 1.45 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 0.00 0.00 127 I 8.21 3.76 1.99 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 1.42 1.05 0.81 0.00 0.00 128 G 8.26 3.62 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 0.00 0.00 0.00 129 A 8.30 3.93 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 0.00 130 I 7.96 3.96 1.97 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.43 1.04 0.00 0.00 131 N 8.36 4.43 0.00 3.02 2.82 0.00 0.00 6.98 6.35 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 0.00 132 T 7.89 3.74 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 0.88 0.00 0.00 133 W 7.99 4.51 0.00 3.57 3.24 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 0.00 134 N 8.81 4.48 0.00 2.73 2.91 0.00 0.00 7.08 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 0.00 135 R 7.81 3.85 0.00 1.82 1.83 0.00 3.16 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 136 I 7.71 3.03 1.86 0.00 0.00 0.53 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 0.42 0.13 0.00 0.00 137 A 8.18 3.91 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 0.00 138 V 7.98 3.62 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 0.99 0.00 0.00 0.97 0.00 0.00 139 G 7.79 3.45 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 0.00 0.00 0.00 140 F 7.91 5.13 0.00 3.22 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 0.00 141 R 7.90 4.01 0.00 2.07 2.01 0.00 3.33 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 142 S 8.14 4.16 0.00 3.22 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 0.00 143 Q 8.53 4.95 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.04 0.00 0.00 0.00 0.00 0.00 2.44 2.28 0.00 144 H 8.75 4.59 0.00 3.21 3.22 0.00 5.73 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 P 0.00 4.41 0.00 2.06 2.03 0.00 3.75 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 146 V 8.20 4.00 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 0.81 0.00 0.00 0.93 0.00 0.00