NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4174 8.1927 115.2902 58.5090 64.5464 175.7069 4 S 4.3865 7.8148 115.4923 60.3251 62.1639 174.5756 5 I 3.6891 8.4420 123.3970 64.5257 37.3499 178.0155 6 R 3.9364 7.9580 118.3637 59.2397 29.7445 178.8651 7 E 3.9945 8.4187 118.6428 59.3485 29.3731 178.9860 8 E 3.9588 8.1299 119.4689 58.9647 29.6159 178.9557 9 V 3.5221 8.0476 118.7834 66.5481 31.6020 177.8975 10 H 4.2342 8.3253 116.0134 58.7010 28.4831 177.8830 11 R 3.9316 8.1923 120.8401 59.4666 29.8774 178.1030 12 H 4.1267 8.4276 118.3415 59.3343 29.7228 177.3238 13 L 4.1510 8.0556 119.6385 57.4940 41.0969 179.4966 14 G 3.7382 7.8408 105.6032 47.8498 0.0000 176.1485 15 T 3.9066 7.9671 118.2442 66.4730 68.5275 177.2463 16 V 3.5434 7.7769 113.8919 64.1462 31.3780 178.4131 17 A 4.0482 7.6860 119.7536 54.9765 17.9155 179.5653 18 L 4.0632 8.0275 117.0752 57.3060 41.6883 178.4190 19 M 4.5280 7.4859 116.4542 53.6260 32.2848 175.6560 20 Q 3.9322 7.3373 121.2320 55.7344 29.4076 174.8638 21 P 4.3681 0.0000 0.0000 63.0716 32.0123 175.2255 22 A 4.3970 7.9976 121.8326 51.6606 21.7218 176.3732 23 L 4.3028 8.3194 120.1228 53.7390 41.2030 176.5209 24 H 4.4531 8.5901 124.8224 54.6361 29.3619 174.5147 25 Q 4.4068 8.1708 129.3245 54.0708 28.7452 175.0839 26 Q 4.1108 8.4742 124.9796 55.8214 29.5098 175.9643 27 T 4.5539 8.1790 111.7415 60.5093 70.7974 174.8258 28 H 4.6801 8.1940 121.6469 55.0447 29.5517 173.1855 29 A 3.6757 7.9928 125.3872 52.2894 15.9674 175.2441 30 P 4.4124 0.0000 0.0000 61.5614 32.9189 177.1718 31 A 4.2585 8.2298 121.7218 51.1927 19.3419 176.8179 32 P 4.3763 0.0000 0.0000 66.0597 31.4515 178.7162 33 T 4.1014 7.8902 105.5086 63.2507 68.7583 174.3915 34 E 4.3640 8.4270 121.3419 56.3672 30.1034 175.6723 35 I 4.3342 7.5797 121.3253 59.9420 37.7042 176.3564 36 T 4.4071 8.2094 116.7554 60.7979 71.4679 174.9334 37 H 4.2023 8.6708 119.8949 59.6578 29.8222 177.0074 38 T 3.8264 7.9710 116.9979 66.8840 68.3344 176.4061 39 L 3.9566 7.9420 120.5919 57.5101 41.5882 179.3331 40 F 4.0940 8.6392 121.2072 61.3742 39.1476 177.2094 41 R 3.9057 8.4018 117.2581 59.2762 30.2971 178.0435 42 A 4.0184 7.9579 120.6399 55.3936 18.1448 179.3064 43 Y 4.2104 8.0319 114.8692 60.7163 37.9832 177.5692 44 T 4.2951 7.3261 108.3148 60.5672 69.3644 174.9308 45 R 4.0438 6.8144 117.5304 56.3869 30.3404 176.2059 46 V 4.0301 7.9649 111.7232 59.3209 32.3213 175.4185 47 P 4.0510 0.0000 0.0000 65.8609 31.1524 177.2125 48 H 4.4865 7.0117 111.2495 56.5127 28.8170 175.8020 49 D 4.5470 7.6942 121.8147 53.1576 39.3831 175.8215 50 V 4.4540 7.0588 112.9444 59.5304 33.1164 176.3040 51 G 3.8221 7.9590 110.0122 47.3155 0.0000 173.8719 52 G 4.0092 8.9635 113.5610 45.1648 0.0000 173.5687 53 E 4.0844 8.0386 119.9259 55.7534 30.0933 176.3738 54 A 4.2216 8.3190 125.7161 52.5043 19.0853 176.1777 55 D 4.6397 8.1530 119.4514 53.3036 44.3891 174.7465 56 V 4.1997 7.8901 115.6141 59.2005 33.2120 174.1872 57 P 4.4513 0.0000 0.0000 62.1239 31.8745 176.2182 58 I 4.3839 7.4347 114.8543 58.6061 40.4618 175.0732 59 E 4.0074 8.4032 123.0018 55.2389 28.6991 175.9382 60 Y 4.4167 8.0054 124.4592 58.4723 38.5538 175.6804 61 H 5.0155 8.2710 117.2545 53.8871 31.8678 172.5383 62 E 4.4603 8.4741 119.8640 55.2745 30.9995 175.6841 63 K 4.5943 7.9466 119.7940 54.7799 35.2041 175.5665 64 E 4.0712 8.6184 125.4609 56.2507 30.1053 176.0656 65 E 4.2426 8.3500 123.0467 55.5948 30.7640 176.8268 66 E 4.2087 8.9953 125.9344 55.8050 31.6868 178.2678 67 I 3.7491 8.2968 122.6294 64.3159 37.2335 178.8305 68 W 4.9803 8.1930 118.3781 58.8252 28.0194 178.3474 69 E 2.9166 6.9152 119.2974 58.7234 28.8565 178.6317 70 L 3.7470 7.3965 120.3027 58.2405 42.0851 178.8149 71 N 4.4444 8.1685 116.3814 56.5156 38.3979 177.6317 72 T 4.0268 8.1347 117.3405 66.5609 68.6287 176.3653 73 F 4.1972 8.3410 122.6965 61.4677 39.3154 177.0188 74 A 3.9486 8.2213 120.2020 55.3758 18.0615 179.7318 75 T 3.8721 8.2297 114.3208 67.1415 68.4426 176.7130 76 C 4.6029 8.5471 118.7265 63.0648 28.2076 176.0941 77 E 4.0927 8.3120 120.2763 59.4908 28.9179 179.1652 78 C 4.6198 8.5556 117.1673 62.8497 28.1453 176.0615 79 L 3.8904 8.4627 120.7114 57.5780 41.1052 179.5000 80 A 5.2397 8.2654 122.2577 54.4520 18.2633 179.2331 81 W 4.4646 8.6348 126.2551 60.7310 30.7493 177.4265 82 R 4.3301 8.1131 115.4939 55.6642 29.6331 177.1068 83 G 3.9887 8.0406 105.8763 46.2308 0.0000 175.6930 84 V 3.7049 8.2618 122.0658 65.0146 31.7735 175.7046 85 W 5.1952 8.0889 114.0177 55.8867 30.3731 173.0189 86 T 4.8144 8.1994 109.3616 60.0777 71.6290 175.3764 87 A 3.5888 8.1770 122.8660 55.1449 18.3255 179.8290 88 E 3.8053 7.9459 116.7597 59.5273 29.6842 179.2245 89 E 3.9326 7.8225 118.8765 59.0776 29.4484 179.3159 90 R 3.0871 7.0072 118.2205 59.1182 29.8763 178.6039 91 R 3.5985 7.7197 118.1066 59.3158 29.9935 178.9658 92 R 3.7067 7.7479 118.2024 59.3944 29.7170 178.7433 93 K 4.1355 7.9526 118.2634 59.3410 31.9978 179.1653 94 Q 4.3106 8.5901 121.4433 57.7044 28.6841 176.7156 95 N 5.0394 8.6639 115.5630 53.2740 39.2763 175.2290 96 C 4.1470 7.4795 115.9267 61.3568 30.6107 176.0018 97 D 4.4202 8.1858 118.0869 57.3237 40.4750 178.6978 98 V 3.6662 7.1190 111.3916 62.3403 31.9055 177.3350 99 G 4.1403 8.0929 105.4585 45.7808 0.0000 174.0419 100 Q 4.0295 8.8371 120.9823 59.6778 28.8578 179.5920 101 T 3.9474 7.9098 115.6711 66.8948 68.6436 176.7855 102 V 3.6973 7.8205 119.5430 65.8946 31.5784 176.9971 103 Y 4.2037 8.3585 119.6605 60.1066 38.3816 177.4034 104 L 4.5950 7.6950 116.6072 54.7332 43.2514 178.2411 105 G 3.8216 8.1772 105.2208 45.6874 0.0000 173.8893 106 M 4.6140 7.2237 119.2630 52.8398 34.1831 174.1378 107 P 4.5537 0.0000 0.0000 62.3591 32.1940 176.5186 108 Y 4.1916 8.7613 121.1360 62.1238 38.4938 178.5880 109 Y 4.3040 8.2124 116.5002 60.2660 38.1110 178.4029 110 G 3.9207 8.5005 107.5870 47.8893 0.0000 176.1093 111 R 4.1178 8.1667 120.2855 58.7278 30.0989 179.0038 112 W 4.5395 8.4101 119.7540 59.1389 29.1526 178.1152 113 L 4.1814 8.6262 120.1520 58.4100 41.6732 178.8568 114 L 4.0745 8.2423 118.9454 58.3956 41.6821 179.7912 115 T 4.1025 8.3596 115.2856 66.2918 67.8722 176.8724 116 A 3.9818 8.3217 122.9117 55.0646 18.2594 179.5629 117 A 3.9966 8.1458 119.4323 55.0935 18.4321 179.8597 118 R 3.8581 8.0959 117.3739 59.6675 30.2093 178.6431 119 I 3.7939 8.0110 118.6178 63.9791 37.8666 177.8396 120 L 4.1234 7.5209 118.9983 57.6187 41.3927 179.6670 121 V 4.0185 7.4446 119.4878 65.4814 31.3869 177.9283 122 D 4.4217 8.5316 117.6254 56.5780 40.5983 177.8790 123 K 4.2324 7.6246 116.7186 55.0114 32.4296 176.1987 124 Q 3.3987 7.5303 116.2301 56.9263 26.8122 175.2538 125 F 4.5415 7.8300 117.5865 59.6742 39.4810 176.6193 126 V 4.6861 7.3216 112.9453 58.8896 35.7978 174.2946 127 T 4.2799 9.0163 114.7557 61.1010 71.0079 175.8571 128 L 3.9071 8.3074 123.0512 58.4020 42.0591 179.3651 129 T 3.8301 7.7754 115.4269 66.6777 68.3869 176.1448 130 E 4.0087 8.3793 120.6493 59.2363 29.4583 179.2896 131 L 3.9364 7.8038 119.9695 58.4839 42.2629 178.6979 132 H 4.2716 8.5185 116.5673 59.1076 28.5673 177.6029 133 N 4.3752 8.6922 118.6825 56.0986 38.2526 177.4035 134 K 3.9322 8.4218 121.4365 59.5267 32.3039 178.9299 135 I 3.6770 7.9101 120.1306 64.3430 36.9659 178.5648 136 V 3.5806 7.7513 118.9944 65.8460 31.2783 177.5841 137 E 3.9099 8.3697 119.3038 59.5997 29.6108 178.6938 138 M 4.0451 8.2542 118.7542 58.5487 32.0386 178.9012 139 R 3.9332 8.0054 118.0376 59.5079 30.2473 179.0851 140 E 3.9954 8.4368 118.3462 59.2124 29.5378 179.3045 141 R 3.8938 8.1770 119.1525 59.2557 30.1255 178.7531 142 V 3.6694 7.6915 117.5377 65.6876 31.4373 177.8770 143 A 4.1592 8.1202 119.4528 54.0566 18.2859 178.6015 144 S 4.5722 8.0216 111.1535 57.6931 63.4635 175.0501 145 G 3.9180 7.7834 110.1990 46.5361 0.0000 175.4053 146 Q 4.0698 7.9006 117.4162 56.2305 28.9014 176.9760 147 G 3.8847 9.1566 105.0540 45.1026 0.0000 173.5273 148 L 4.4171 8.8149 120.3509 54.2719 43.5271 176.2417 149 G 3.8084 8.4255 118.9943 46.5333 0.0000 171.9120 150 E 4.1485 8.2594 119.3801 57.3110 30.6481 177.6388 151 Y 4.4279 7.6957 118.9721 60.3356 38.5109 175.4886 152 L 4.9906 7.6711 121.1215 52.3628 44.9924 173.4215 153 P 4.7110 0.0000 0.0000 61.4934 32.2797 174.4315 154 P 4.8666 0.0000 0.0000 62.7611 31.0939 176.0577 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 3 S 8.19 4.42 0.00 3.87 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 4 S 7.81 4.39 0.00 4.01 3.83 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 5 I 8.44 3.69 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 1.63 0.75 0.89 0.00 0.00 6 R 7.96 3.94 0.00 1.97 2.01 0.00 3.26 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 7 E 8.42 3.99 0.00 2.20 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 2.35 2.63 0.00 8 E 8.13 3.96 0.00 2.06 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 2.29 2.32 0.00 9 V 8.05 3.52 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 0.91 0.00 0.00 0.93 0.00 0.00 10 H 8.33 4.23 0.00 3.21 3.32 0.00 5.67 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.19 3.93 0.00 2.16 1.94 0.00 3.10 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 12 H 8.43 4.13 0.00 3.32 3.49 0.00 5.65 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 13 L 8.06 4.15 0.00 1.82 1.74 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.84 3.74 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 0.00 0.00 0.00 15 T 7.97 3.91 4.18 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 0.00 0.00 0.00 1.19 0.00 0.00 16 V 7.78 3.54 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 0.68 0.00 0.00 0.97 0.00 0.00 17 A 7.69 4.05 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 18 L 8.03 4.06 0.00 1.70 1.74 0.91 1.07 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 19 M 7.49 4.53 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 20 Q 7.34 3.93 0.00 1.96 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.69 6.88 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 21 P 0.00 4.37 0.00 2.08 1.97 0.00 3.77 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 22 A 8.00 4.40 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 23 L 8.32 4.30 0.00 1.65 1.67 0.93 1.03 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 24 H 8.59 4.45 0.00 3.11 3.25 0.00 5.70 0.00 0.00 0.00 0.00 6.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 8.17 4.41 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.73 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 26 Q 8.47 4.11 0.00 2.13 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.48 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 27 T 8.18 4.55 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 1.28 0.00 0.00 28 H 8.19 4.68 0.00 3.12 3.23 0.00 5.85 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 29 A 7.99 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.41 0.00 2.20 2.08 0.00 3.69 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 31 A 8.23 4.26 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.38 0.00 2.20 2.15 0.00 3.61 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 2.11 0.00 33 T 7.89 4.10 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 1.22 0.00 0.00 34 E 8.43 4.36 0.00 2.06 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 2.29 2.42 0.00 35 I 7.58 4.33 2.09 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.88 1.15 0.00 0.00 36 T 8.21 4.41 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 1.25 0.00 0.00 37 H 8.67 4.20 0.00 3.27 3.39 0.00 5.88 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 38 T 7.97 3.83 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 1.20 0.00 0.00 39 L 7.94 3.96 0.00 1.99 1.93 1.02 0.90 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 40 F 8.64 4.09 0.00 3.29 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 41 R 8.40 3.91 0.00 1.73 2.04 0.00 3.34 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 42 A 7.96 4.02 1.14 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 43 Y 8.03 4.21 0.00 2.87 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 44 T 7.33 4.30 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 0.58 0.00 0.00 45 R 6.81 4.04 0.00 1.99 2.07 0.00 3.04 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.53 0.00 46 V 7.96 4.03 1.90 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 0.68 0.00 0.00 0.96 0.00 0.00 47 P 0.00 4.05 0.00 1.50 1.82 0.00 3.43 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 48 H 7.01 4.49 0.00 3.37 3.38 0.00 5.56 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 49 D 7.69 4.55 0.00 2.65 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 V 7.06 4.45 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 0.99 0.00 0.00 1.00 0.00 0.00 51 G 7.96 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 0.00 0.00 0.00 52 G 8.96 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 0.00 0.00 0.00 53 E 8.04 4.08 0.00 2.09 1.89 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 2.33 2.38 0.00 54 A 8.32 4.22 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 55 D 8.15 4.64 0.00 2.62 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 56 V 7.89 4.20 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 0.77 0.00 0.00 0.90 0.00 0.00 57 P 0.00 4.45 0.00 1.97 1.91 0.00 3.58 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 1.99 2.03 0.00 58 I 7.43 4.38 1.72 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 0.93 -0.14 0.83 0.00 0.00 59 E 8.40 4.01 0.00 1.88 1.89 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 2.27 2.29 0.00 60 Y 8.01 4.42 0.00 3.02 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 61 H 8.27 5.02 0.00 3.20 3.24 0.00 5.51 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 62 E 8.47 4.46 0.00 1.97 1.90 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 2.26 2.21 0.00 63 K 7.95 4.59 0.00 1.69 1.59 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.47 7.81 64 E 8.62 4.07 0.00 1.97 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 0.00 2.30 2.28 0.00 65 E 8.35 4.24 0.00 1.80 1.72 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 2.03 2.04 0.00 66 E 9.00 4.21 0.00 1.16 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 2.17 2.29 0.00 67 I 8.30 3.75 2.16 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.78 0.97 0.00 0.00 68 W 8.19 4.98 0.00 3.53 3.19 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 69 E 6.92 2.92 0.00 1.40 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 1.47 1.47 0.00 70 L 7.40 3.75 0.00 1.83 1.72 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 71 N 8.17 4.44 0.00 3.12 2.99 0.00 0.00 7.06 7.08 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 72 T 8.13 4.03 4.42 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 1.61 0.00 0.00 73 F 8.34 4.20 0.00 2.78 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 74 A 8.22 3.95 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 75 T 8.23 3.87 4.55 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 1.27 0.00 0.00 76 C 8.55 4.60 0.00 3.53 3.42 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 77 E 8.31 4.09 0.00 1.82 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 1.74 1.88 0.00 78 C 8.56 4.62 0.00 3.26 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 79 L 8.46 3.89 0.00 1.95 1.28 0.61 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 80 A 8.27 5.24 1.52 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 0.00 0.00 81 W 8.63 4.46 0.00 3.31 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 82 R 8.11 4.33 0.00 1.64 1.72 0.00 3.01 0.00 0.00 2.39 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.42 0.00 83 G 8.04 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 0.00 0.00 0.00 84 V 8.26 3.70 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 0.55 0.00 0.00 0.47 0.00 0.00 85 W 8.09 5.20 0.00 3.66 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 86 T 8.20 4.81 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 1.26 0.00 0.00 87 A 8.18 3.59 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 88 E 7.95 3.81 0.00 1.93 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 2.34 2.30 0.00 89 E 7.82 3.93 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 2.35 2.32 0.00 90 R 7.01 3.09 0.00 0.67 1.18 0.00 2.58 0.00 0.00 2.55 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.77 0.00 91 R 7.72 3.60 0.00 1.85 1.85 0.00 3.29 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.66 0.00 92 R 7.75 3.71 0.00 1.78 2.00 0.00 3.30 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.77 0.00 93 K 7.95 4.14 0.00 2.04 1.91 0.00 1.88 0.00 0.00 1.89 0.00 0.00 3.09 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.51 1.65 7.81 94 Q 8.59 4.31 0.00 1.91 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.67 0.00 0.00 0.00 0.00 0.00 2.14 2.15 0.00 95 N 8.66 5.04 0.00 2.74 2.89 0.00 0.00 6.78 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 96 C 7.48 4.15 0.00 3.01 2.70 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 0.00 0.00 0.00 97 D 8.19 4.42 0.00 2.76 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 98 V 7.12 3.67 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 0.79 0.00 0.00 1.10 0.00 0.00 99 G 8.09 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 0.00 100 Q 8.84 4.03 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.85 0.00 0.00 0.00 0.00 0.00 2.47 2.61 0.00 101 T 7.91 3.95 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 1.25 0.00 0.00 102 V 7.82 3.70 2.34 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 1.10 0.00 0.00 0.98 0.00 0.00 103 Y 8.36 4.20 0.00 3.27 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 0.00 104 L 7.70 4.60 0.00 1.66 1.68 1.07 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.18 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 0.00 0.00 0.00 106 M 7.22 4.61 0.00 2.11 2.21 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 2.68 0.00 107 P 0.00 4.55 0.00 2.47 2.16 0.00 3.77 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 2.29 2.18 0.00 108 Y 8.76 4.19 0.00 2.95 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 0.00 109 Y 8.21 4.30 0.00 2.97 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 0.00 110 G 8.50 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 0.00 111 R 8.17 4.12 0.00 2.07 2.06 0.00 3.29 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.94 0.00 112 W 8.41 4.54 0.00 3.77 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 0.00 113 L 8.63 4.18 0.00 2.23 2.06 1.07 0.42 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 0.00 114 L 8.24 4.07 0.00 1.84 1.79 0.98 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 115 T 8.36 4.10 4.58 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 1.49 0.00 0.00 116 A 8.32 3.98 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 A 8.15 4.00 1.41 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 0.00 0.00 118 R 8.10 3.86 0.00 2.15 2.21 0.00 3.18 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.98 0.00 119 I 8.01 3.79 1.63 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.92 0.18 0.00 0.00 120 L 7.52 4.12 0.00 1.91 1.73 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 121 V 7.44 4.02 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 1.33 0.00 0.00 0.94 0.00 0.00 122 D 8.53 4.42 0.00 2.70 2.71 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 0.00 123 K 7.62 4.23 0.00 1.68 1.17 0.00 2.09 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.32 1.44 7.81 124 Q 7.53 3.40 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.28 7.02 0.00 0.00 0.00 0.00 0.00 2.22 2.19 0.00 125 F 7.83 4.54 0.00 3.17 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 0.00 126 V 7.32 4.69 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 0.92 0.00 0.00 0.96 0.00 0.00 127 T 9.02 4.28 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 1.19 0.00 0.00 128 L 8.31 3.91 0.00 1.71 1.62 0.82 0.71 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 0.00 129 T 7.78 3.83 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 1.21 0.00 0.00 130 E 8.38 4.01 0.00 2.15 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 2.33 2.31 0.00 131 L 7.80 3.94 0.00 1.78 1.80 0.93 0.87 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 0.00 132 H 8.52 4.27 0.00 3.33 3.30 0.00 5.69 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 0.00 133 N 8.69 4.38 0.00 2.83 2.87 0.00 0.00 6.69 8.15 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 0.00 134 K 8.42 3.93 0.00 1.93 2.02 0.00 1.54 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.53 7.81 135 I 7.91 3.68 2.03 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 1.40 0.96 0.89 0.00 0.00 136 V 7.75 3.58 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 1.10 0.00 0.00 0.95 0.00 0.00 137 E 8.37 3.91 0.00 2.19 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 2.31 2.36 0.00 138 M 8.25 4.05 0.00 2.06 2.22 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 2.63 2.96 0.00 139 R 8.01 3.93 0.00 2.03 1.97 0.00 3.10 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 140 E 8.44 4.00 0.00 2.14 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 2.33 2.40 0.00 141 R 8.18 3.89 0.00 2.02 2.14 0.00 3.11 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.65 0.00 142 V 7.69 3.67 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 0.96 0.00 0.00 1.01 0.00 0.00 143 A 8.12 4.16 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 0.00 144 S 8.02 4.57 0.00 4.04 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 0.00 145 G 7.78 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 0.00 146 Q 7.90 4.07 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.48 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 147 G 9.16 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 L 8.81 4.42 0.00 1.70 1.62 0.99 1.19 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 0.00 149 G 8.43 3.81 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 0.00 0.00 0.00 150 E 8.26 4.15 0.00 1.94 1.91 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 1.62 1.81 0.00 151 Y 7.70 4.43 0.00 3.27 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 0.00 152 L 7.67 4.99 0.00 1.73 1.52 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 153 P 0.00 4.71 0.00 2.23 2.04 0.00 3.86 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 154 P 0.00 4.87 0.00 2.20 2.29 0.00 3.41 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.93 0.00