NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3941 0.0000 0.0000 62.1522 33.3678 176.9901 2 R 3.8979 8.0997 120.2091 57.2063 30.3794 174.7273 3 R 4.4086 7.9952 110.1920 57.7804 31.9477 176.5072 4 R 4.1562 7.7338 121.8378 54.3865 27.7959 175.9072 5 V 3.8897 7.7877 116.3054 61.2623 32.9752 175.6946 6 I 4.4297 7.7866 114.1995 60.0963 38.8172 173.1731 7 G 4.1155 8.4620 105.6403 44.1993 0.0000 172.3527 8 Q 5.2014 8.1613 122.4761 54.9661 30.7187 174.6139 9 R 3.9997 8.4419 119.2544 56.2663 29.9870 175.8339 10 K 4.6092 8.2879 118.8966 54.7038 34.7986 175.2945 11 I 4.6987 7.6941 111.7593 58.6975 40.4485 175.0993 12 L 4.0773 8.5014 121.9314 54.3994 42.0778 176.1633 13 P 4.6884 0.0000 0.0000 62.1421 33.0362 174.7808 14 D 4.5993 8.5680 118.3900 53.5367 41.4654 175.9739 15 P 4.3493 0.0000 0.0000 65.0125 31.3773 176.8306 16 K 4.4301 8.8057 117.8108 55.8078 32.0886 175.6010 17 F 4.4941 8.3336 114.2829 57.6710 43.3380 174.3791 18 G 3.6854 8.1806 108.1869 45.3524 0.0000 173.3140 19 S 4.6189 8.0016 115.2210 57.1038 64.0522 174.8060 20 E 4.0111 8.6403 124.8340 59.3933 29.6071 178.7588 21 L 3.8875 7.8954 118.3045 58.3442 41.6573 179.3431 22 L 3.9371 7.6818 118.8779 57.9496 41.9075 178.7861 23 A 4.0105 8.0264 120.3070 55.4218 17.8312 179.6691 24 K 4.0051 8.4840 116.6211 58.9177 32.1066 179.0522 25 F 4.5359 7.9566 120.6674 60.5053 39.4554 178.0592 26 V 3.2943 8.3028 112.5042 64.3741 31.1936 177.7832 27 N 4.1999 7.5191 114.8183 56.8614 38.5449 176.8506 28 I 3.7138 6.9631 118.5564 64.6121 37.3099 177.5054 29 L 4.0272 7.1176 118.8429 56.4773 42.2436 176.6390 30 M 4.0531 7.3660 118.1165 56.0591 32.8421 175.1889 31 V 4.2823 8.1980 118.1831 61.8702 33.6361 172.5957 32 D 4.4918 9.7557 119.0406 55.1127 38.4091 173.8158 33 G 3.8937 8.1335 103.5724 47.0586 0.0000 175.7196 34 K 4.4509 7.8077 118.7254 54.4510 31.4033 177.3611 35 K 3.9694 7.8640 123.5787 59.2928 33.1261 178.7347 36 S 4.1723 8.4086 115.1311 61.8406 62.9533 176.4557 37 T 3.9793 7.8148 108.3177 63.2045 69.6353 176.7441 38 A 3.8981 7.8835 124.8205 55.1270 18.0628 179.2943 39 E 3.7123 8.2127 115.4774 58.9086 29.7979 179.3834 40 S 4.2495 7.5289 116.7403 61.2273 62.7048 175.7048 41 I 4.1124 7.2352 119.7473 62.5099 37.4910 177.8290 42 V 3.7035 7.2032 120.5495 65.8986 31.5146 177.4080 43 Y 4.3882 7.2327 115.8164 61.2034 37.7202 178.6108 44 S 4.2752 7.8234 111.8813 60.5047 62.6828 175.0383 45 A 4.5830 7.8826 122.2331 53.5238 19.8673 177.7293 46 L 4.2337 8.0491 116.2746 56.3015 41.9999 177.6007 47 E 4.2765 8.1728 118.5931 59.1517 30.4689 177.6344 48 T 4.0972 7.8201 108.3849 63.7688 68.7412 175.8468 49 L 4.0796 7.9760 122.9176 57.5108 42.6910 178.0779 50 A 4.1686 7.5038 120.4532 55.2063 18.3787 179.3941 51 Q 3.9741 8.0211 117.9097 59.3266 29.1189 177.9620 52 R 4.1788 7.5702 116.2990 57.8044 30.2289 176.5938 53 S 4.4938 7.6582 110.4810 57.5158 64.9578 177.1575 54 G 4.0442 8.3369 107.4913 46.4634 0.0000 175.0900 55 K 4.2957 7.9933 119.9362 57.7826 29.9845 178.9139 56 S 3.4018 8.0709 120.1815 59.1907 62.7539 171.4589 57 E 4.7882 8.6321 110.6213 57.7719 34.7115 177.2607 58 L 4.0162 8.4052 118.6430 57.7641 41.4237 179.0540 59 E 5.1763 8.0989 114.4422 56.4691 29.9397 177.8679 60 A 4.1087 7.9880 122.9991 55.6491 19.0387 179.7274 61 F 3.8568 8.1671 118.6215 61.9302 39.2031 176.1138 62 E 4.0541 7.7137 116.8378 59.5730 29.5505 178.4374 63 V 3.7287 7.8518 116.6202 66.2665 31.3735 178.4069 64 A 3.9630 7.6598 118.8724 54.7315 17.5780 179.1435 65 L 3.8451 7.8821 118.9556 57.5093 41.9615 177.7949 66 E 4.2175 8.0323 117.3527 57.5262 29.7409 177.3014 67 N 4.5904 7.5105 114.8310 56.2493 39.0839 176.9285 68 V 4.1180 7.7453 118.1280 63.7484 31.8626 175.0235 69 R 3.8124 7.1685 117.7594 56.0097 29.7559 173.8122 70 P 4.8662 0.0000 0.0000 62.5610 33.0622 175.3278 71 T 4.4349 8.5887 114.6210 64.9935 70.1722 174.7646 72 V 4.9017 7.5119 111.6935 59.7225 35.2880 175.0346 73 E 4.6264 9.4094 120.4111 55.6178 32.7439 174.3616 74 V 4.8706 8.5157 110.9770 59.8917 35.8189 175.2962 75 K 4.4743 9.4109 124.7339 54.5162 35.0171 175.4413 76 S 4.0371 8.7776 124.3771 58.9950 62.5915 174.1661 77 R 3.8950 8.9116 126.3501 53.9710 29.3126 176.5476 78 R 4.4999 7.5959 118.2183 57.1829 28.6465 175.9777 79 V 3.3237 8.0166 119.1486 64.2329 30.6981 177.5823 80 G 3.7066 8.7683 115.6479 44.4568 0.0000 174.8260 81 G 3.9800 8.4956 112.0285 45.8192 0.0000 171.5617 82 S 4.8942 7.6866 115.8656 57.0370 65.3425 175.1166 83 T 4.0685 8.8421 119.3141 66.0112 69.2007 175.3793 84 Y 3.6127 7.7376 119.5269 58.0123 34.7467 174.0780 85 Q 3.9110 7.4638 124.3329 56.6427 30.0663 175.9793 86 V 4.2950 8.1447 127.6225 60.7553 33.2539 173.6004 87 P 4.9694 0.0000 0.0000 62.8842 32.3803 175.6107 88 V 4.5731 9.2476 120.8421 60.2740 35.6172 174.1902 89 E 4.6840 8.6963 121.6087 54.8033 29.7376 176.6280 90 V 3.8626 8.0682 124.9520 62.0565 32.5006 176.0211 91 R 4.5347 8.2988 119.6071 54.2275 32.3613 175.3269 92 P 4.8098 0.0000 0.0000 61.0776 29.6069 175.2422 93 V 4.3519 7.1160 121.3639 61.4822 37.3534 175.5464 94 R 3.8293 7.6131 119.2251 59.6162 29.7365 177.1172 95 R 3.6659 8.0359 117.2299 60.2283 29.6839 177.5350 96 N 4.1732 8.0781 114.8779 56.1780 37.5004 176.4868 97 A 3.9903 7.5357 123.2166 55.0354 18.3277 179.4318 98 L 3.2700 8.0668 116.6340 57.6316 41.5081 179.3031 99 A 3.7419 7.4325 120.4727 55.9034 18.2420 179.4522 100 M 3.9018 8.8403 117.6222 58.5659 31.9054 179.1664 101 R 3.8569 7.5199 118.1301 59.3138 29.9325 178.5825 102 W 4.0097 8.0897 118.8673 59.3889 29.1109 178.5832 103 I 3.9130 7.5408 120.1725 64.1285 36.8083 178.3696 104 V 3.6612 7.9846 119.1446 65.9557 31.5170 177.7330 105 E 3.9815 9.2906 120.0955 59.0077 29.2064 178.4325 106 A 4.1778 7.6595 119.0311 54.4592 18.9601 179.1043 107 A 4.0882 7.8006 118.1805 54.8772 18.6586 179.6455 108 R 4.0261 7.9844 117.7429 59.2449 30.0682 178.0838 109 K 4.2337 7.6520 116.0223 56.1980 33.5065 176.6959 110 R 4.6594 7.2499 118.4262 54.6776 32.7033 175.3406 111 G 4.3736 8.1903 107.9396 45.0927 0.0000 172.7910 112 D 5.2232 7.5636 130.2998 53.6152 40.9532 178.6825 113 K 4.2241 9.0994 126.6289 57.3521 33.2534 177.9967 114 S 4.3052 8.8998 116.9122 58.9488 65.1950 172.4149 115 M 4.0506 8.5432 124.6500 58.3997 32.0503 178.0632 116 A 3.9901 8.0239 120.6471 55.4616 18.4541 179.3553 117 L 3.9843 7.9126 116.3426 58.1041 41.5379 180.0083 118 R 3.9882 7.8841 117.0064 58.8846 30.1193 178.4138 119 L 4.1084 8.1708 120.7456 57.6362 42.2610 178.3416 120 A 3.8833 8.2927 120.7009 55.7462 18.3212 179.3671 121 N 4.5865 8.0842 114.6407 56.0934 38.3760 177.3627 122 E 4.1012 8.6418 119.9422 58.6088 29.9761 178.5620 123 L 3.9837 7.7328 120.0392 58.2290 42.4728 178.8408 124 S 4.0857 8.4640 113.4725 61.3053 62.0496 175.1935 125 D 4.5335 8.1545 119.3566 55.9396 40.7727 177.6226 126 A 3.9756 7.6708 120.5249 54.9589 18.9667 178.8560 127 A 3.8717 7.1809 118.1611 55.1293 18.8230 178.6973 128 E 4.3963 8.2626 112.9685 60.8837 29.4094 177.7067 129 N 3.9505 7.7753 115.7130 53.5684 35.9190 174.1561 130 K 4.3132 7.8937 121.3605 56.9587 37.2437 176.1967 131 G 4.0517 7.7427 108.5704 44.8059 0.0000 173.5007 132 T 3.9335 8.8026 114.7620 67.2470 68.5481 175.6227 133 A 3.9805 7.7022 121.6090 56.0170 17.9185 179.7399 134 V 3.8863 7.8249 109.3456 63.9266 31.8220 178.4754 135 K 4.0595 8.0664 119.3188 58.6438 31.9376 178.5233 136 K 3.6624 8.2510 120.2326 58.7576 31.4937 178.7056 137 R 3.9191 7.4051 118.1335 58.6658 29.8036 176.4263 138 E 4.3816 7.7750 117.2563 56.6342 31.0718 177.0149 139 D 4.5595 7.6436 117.3922 55.1587 45.3037 178.2411 140 V 3.6071 7.5005 117.9684 65.9338 31.2156 177.8463 141 H 4.2400 7.6912 115.0139 58.5719 28.5316 177.6218 142 R 4.1040 7.7294 119.0454 59.0338 30.3666 177.9873 143 M 4.1089 8.3428 118.2285 58.4480 32.4139 176.4567 144 A 4.4665 8.0632 120.0894 51.8710 21.2199 178.0874 145 E 3.2344 8.7548 118.2835 57.2806 29.3489 174.2068 146 A 4.3670 7.8700 121.9313 53.9411 20.2628 178.0422 147 N 4.6559 8.4959 107.2516 53.9686 38.5579 177.2064 148 K 4.1236 8.2438 120.3949 58.2875 32.3331 177.7303 149 A 4.1941 8.0678 120.0813 54.5016 18.6448 177.1593 150 F 4.4847 8.0790 114.9943 57.2744 39.4356 175.9040 151 A 4.2412 7.9695 128.2500 52.5520 18.3443 178.1154 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 P 0.00 4.39 0.00 2.19 2.23 0.00 3.73 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 1.88 1.96 0.00 2 R 8.10 3.90 0.00 1.88 1.99 0.00 3.18 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 3 R 8.00 4.41 0.00 1.90 1.96 0.00 3.09 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 4 R 7.73 4.16 0.00 1.77 1.91 0.00 3.31 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 5 V 7.79 3.89 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 6 I 7.79 4.43 1.87 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 1.35 0.61 0.95 0.00 0.00 7 G 8.46 4.12 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 0.00 8 Q 8.16 5.20 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.93 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 9 R 8.44 4.00 0.00 1.94 1.98 0.00 2.99 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 10 K 8.29 4.61 0.00 1.74 1.77 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.39 7.81 11 I 7.69 4.70 1.88 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 1.42 0.66 0.91 0.00 0.00 12 L 8.50 4.08 0.00 1.67 1.69 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.69 0.00 2.17 2.17 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 14 D 8.57 4.60 0.00 2.81 2.91 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 15 P 0.00 4.35 0.00 2.31 2.25 0.00 3.92 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 2.28 2.11 0.00 16 K 8.81 4.43 0.00 1.42 1.36 0.00 1.38 0.00 0.00 0.70 0.00 0.00 2.70 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.71 1.01 7.81 17 F 8.33 4.49 0.00 3.22 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 18 G 8.18 3.69 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 0.00 0.00 0.00 19 S 8.00 4.62 0.00 3.79 3.63 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 0.00 0.00 0.00 0.00 20 E 8.64 4.01 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 2.33 0.00 21 L 7.90 3.89 0.00 1.47 1.40 0.86 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.68 3.94 0.00 1.40 1.55 0.52 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.03 4.01 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 24 K 8.48 4.01 0.00 2.01 1.91 0.00 1.66 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.66 7.81 25 F 7.96 4.54 0.00 3.30 3.27 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 26 V 8.30 3.29 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 0.66 0.00 0.00 1.00 0.00 0.00 27 N 7.52 4.20 0.00 2.60 2.88 0.00 0.00 7.12 7.41 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 28 I 6.96 3.71 1.90 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 1.69 0.76 0.83 0.00 0.00 29 L 7.12 4.03 0.00 1.23 1.50 0.74 0.76 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 30 M 7.37 4.05 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.47 0.00 31 V 8.20 4.28 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 0.71 0.00 0.00 0.91 0.00 0.00 32 D 9.76 4.49 0.00 2.79 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 33 G 8.13 3.89 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 0.00 0.00 0.00 34 K 7.81 4.45 0.00 1.97 1.73 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.33 7.81 35 K 7.86 3.97 0.00 1.78 1.80 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.44 7.81 36 S 8.41 4.17 0.00 3.92 3.94 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 37 T 7.81 3.98 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 1.21 0.00 0.00 38 A 7.88 3.90 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 39 E 8.21 3.71 0.00 2.20 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 0.00 2.63 2.45 0.00 40 S 7.53 4.25 0.00 3.99 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 41 I 7.24 4.11 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.81 0.90 0.00 0.00 42 V 7.20 3.70 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 0.94 0.00 0.00 0.74 0.00 0.00 43 Y 7.23 4.39 0.00 3.16 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 44 S 7.82 4.28 0.00 4.13 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 45 A 7.88 4.58 1.47 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 0.00 0.00 46 L 8.05 4.23 0.00 2.08 1.97 1.05 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.17 4.28 0.00 2.57 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 2.39 0.00 48 T 7.82 4.10 4.27 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 1.31 0.00 0.00 49 L 7.98 4.08 0.00 1.94 1.78 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 50 A 7.50 4.17 1.60 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 51 Q 8.02 3.97 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 52 R 7.57 4.18 0.00 1.88 2.03 0.00 3.26 0.00 0.00 3.29 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 53 S 7.66 4.49 0.00 4.12 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 54 G 8.34 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 55 K 7.99 4.30 0.00 1.75 1.82 0.00 1.88 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.72 1.53 7.81 56 S 8.07 3.40 0.00 3.94 3.69 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 57 E 8.63 4.79 0.00 2.12 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 2.53 2.66 0.00 58 L 8.41 4.02 0.00 1.78 1.74 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.10 5.18 0.00 2.16 2.17 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 2.31 2.31 0.00 60 A 7.99 4.11 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 61 F 8.17 3.86 0.00 2.98 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 62 E 7.71 4.05 0.00 2.05 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 2.36 2.49 0.00 63 V 7.85 3.73 2.19 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 1.03 0.00 0.00 0.97 0.00 0.00 64 A 7.66 3.96 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 65 L 7.88 3.85 0.00 1.73 1.91 0.69 0.98 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 66 E 8.03 4.22 0.00 2.01 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 0.00 2.33 2.36 0.00 67 N 7.51 4.59 0.00 2.94 2.86 0.00 0.00 6.89 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 68 V 7.75 4.12 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 1.21 0.00 0.00 0.99 0.00 0.00 69 R 7.17 3.81 0.00 2.05 2.01 0.00 3.35 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 70 P 0.00 4.87 0.00 2.39 2.48 0.00 3.79 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 71 T 8.59 4.43 4.38 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 1.26 0.00 0.00 72 V 7.51 4.90 2.14 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 0.81 0.00 0.00 0.98 0.00 0.00 73 E 9.41 4.63 0.00 1.97 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 2.21 2.30 0.00 74 V 8.52 4.87 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 0.67 0.00 0.00 0.91 0.00 0.00 75 K 9.41 4.47 0.00 1.71 1.74 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.39 7.81 76 S 8.78 4.04 0.00 3.79 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 77 R 8.91 3.90 0.00 2.08 1.93 0.00 3.55 0.00 0.00 3.29 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 78 R 7.60 4.50 0.00 1.94 2.03 0.00 3.30 0.00 0.00 3.01 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 79 V 8.02 3.32 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 0.65 0.00 0.00 0.91 0.00 0.00 80 G 8.77 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 0.00 0.00 0.00 81 G 8.50 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 82 S 7.69 4.89 0.00 3.78 4.12 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 83 T 8.84 4.07 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 84 Y 7.74 3.61 0.00 3.01 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 7.46 3.91 0.00 1.95 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.76 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 86 V 8.14 4.30 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 1.06 0.00 0.00 1.18 0.00 0.00 87 P 0.00 4.97 0.00 2.14 2.04 0.00 3.84 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 88 V 9.25 4.57 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 0.81 0.00 0.00 0.95 0.00 0.00 89 E 8.70 4.68 0.00 1.87 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 2.28 2.38 0.00 90 V 8.07 3.86 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 0.78 0.00 0.00 0.93 0.00 0.00 91 R 8.30 4.53 0.00 1.88 1.87 0.00 3.13 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 92 P 0.00 4.81 0.00 2.04 2.03 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 93 V 7.12 4.35 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 0.77 0.00 0.00 0.92 0.00 0.00 94 R 7.61 3.83 0.00 1.85 1.90 0.00 3.20 0.00 0.00 3.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 95 R 8.04 3.67 0.00 2.14 1.82 0.00 3.17 0.00 0.00 3.28 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 96 N 8.08 4.17 0.00 2.96 3.08 0.00 0.00 5.85 7.46 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 97 A 7.54 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 98 L 8.07 3.27 0.00 1.18 0.13 0.87 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.43 3.74 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 M 8.84 3.90 0.00 2.31 2.36 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 2.81 2.51 0.00 101 R 7.52 3.86 0.00 1.87 1.76 0.00 3.05 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 102 W 8.09 4.01 0.00 3.47 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 0.00 103 I 7.54 3.91 2.05 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.27 0.89 0.00 0.00 104 V 7.98 3.66 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 0.83 0.00 0.00 1.00 0.00 0.00 105 E 9.29 3.98 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 2.37 2.38 0.00 106 A 7.66 4.18 1.47 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 0.00 0.00 107 A 7.80 4.09 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 0.00 108 R 7.98 4.03 0.00 2.13 2.16 0.00 3.12 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 109 K 7.65 4.23 0.00 1.80 1.81 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.81 1.59 7.81 110 R 7.25 4.66 0.00 1.77 1.95 0.00 3.40 0.00 0.00 3.50 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 111 G 8.19 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 0.00 112 D 7.56 5.22 0.00 2.68 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 0.00 0.00 0.00 113 K 9.10 4.22 0.00 1.70 1.53 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.32 7.81 114 S 8.90 4.31 0.00 3.89 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 0.00 115 M 8.54 4.05 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.63 0.00 116 A 8.02 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 0.00 117 L 7.91 3.98 0.00 1.71 1.75 0.96 0.94 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 0.00 118 R 7.88 3.99 0.00 1.99 2.18 0.00 3.30 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 119 L 8.17 4.11 0.00 1.90 1.78 1.02 1.14 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 0.00 120 A 8.29 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 0.00 121 N 8.08 4.59 0.00 2.82 2.88 0.00 0.00 6.93 7.80 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 0.00 122 E 8.64 4.10 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 2.34 2.50 0.00 123 L 7.73 3.98 0.00 1.83 1.62 0.67 0.52 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 0.00 124 S 8.46 4.09 0.00 3.86 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 0.00 125 D 8.15 4.53 0.00 3.11 2.60 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 0.00 126 A 7.67 3.98 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 0.00 127 A 7.18 3.87 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 128 E 8.26 4.40 0.00 2.08 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 2.34 2.27 0.00 129 N 7.78 3.95 0.00 2.88 2.92 0.00 0.00 6.65 7.74 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 0.00 130 K 7.89 4.31 0.00 1.81 1.88 0.00 1.59 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.43 7.81 131 G 7.74 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 0.00 0.00 0.00 132 T 8.80 3.93 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 1.18 0.00 0.00 133 A 7.70 3.98 1.47 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 0.00 0.00 134 V 7.82 3.89 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 0.96 0.00 0.00 0.98 0.00 0.00 135 K 8.07 4.06 0.00 2.03 1.89 0.00 1.48 0.00 0.00 1.54 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.40 7.81 136 K 8.25 3.66 0.00 1.27 1.10 0.00 1.06 0.00 0.00 1.04 0.00 0.00 2.57 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.30 0.21 7.81 137 R 7.41 3.92 0.00 2.02 2.12 0.00 3.20 0.00 0.00 3.43 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.86 0.00 138 E 7.78 4.38 0.00 2.04 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 2.46 2.46 0.00 139 D 7.64 4.56 0.00 2.61 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 0.00 140 V 7.50 3.61 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 1.06 0.00 0.00 0.73 0.00 0.00 141 H 7.69 4.24 0.00 3.26 3.34 0.00 5.90 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 R 7.73 4.10 0.00 1.94 1.96 0.00 3.37 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 143 M 8.34 4.11 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.56 0.00 144 A 8.06 4.47 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 0.00 145 E 8.75 3.23 0.00 2.24 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 0.00 2.19 2.30 0.00 146 A 7.87 4.37 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 0.00 147 N 8.50 4.66 0.00 2.87 2.78 0.00 0.00 6.84 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 0.00 148 K 8.24 4.12 0.00 1.83 1.95 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.42 7.81 149 A 8.07 4.19 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 0.00 150 F 8.08 4.48 0.00 3.14 3.09 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 0.00 0.00 0.00 151 A 7.97 4.24 1.25 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 0.00 0.00