NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9615 8.3549 109.7373 45.5249 0.0000 172.5237 2 L 4.3938 8.0823 118.3296 51.1193 43.4186 175.7827 3 S 4.5096 9.8914 119.0385 57.9403 66.2499 174.8871 4 D 4.7066 8.7982 121.6913 57.3951 40.4472 179.3006 5 G 3.6796 8.1140 105.7798 47.9366 0.0000 175.4227 6 E 3.8878 8.1594 121.4761 58.8088 29.5154 179.4618 7 W 4.2415 8.0510 118.9359 59.7020 29.0045 178.2013 8 Q 4.0702 8.1285 118.9720 59.3995 28.5277 178.5047 9 L 4.0178 7.7778 119.3428 57.7266 41.6158 179.5419 10 V 3.6791 7.9875 118.1186 66.3520 31.2767 178.1531 11 L 4.1863 8.0064 117.0353 57.7530 41.7292 179.1493 12 N 4.5259 8.6459 116.8186 56.4234 38.5613 177.4560 13 V 3.6155 7.8632 119.5991 66.0023 31.5678 177.7429 14 W 4.1453 8.7194 128.0867 60.2621 30.2819 177.9724 15 G 3.7066 7.8995 105.4424 47.5962 0.0000 175.3877 16 K 3.7833 7.3704 119.3866 59.3176 32.3537 179.0258 17 V 2.8790 7.0175 117.3588 65.8603 30.8519 177.7451 18 E 3.8698 7.8392 117.4394 58.5978 29.0166 178.5142 19 A 4.2170 7.2879 118.0745 53.2197 20.0764 177.4590 20 D 4.6438 7.7661 115.7947 52.4334 43.1417 175.8227 21 V 3.4758 7.7427 124.0432 66.0398 32.2625 176.8260 22 A 4.0582 8.0225 120.1664 54.9041 18.0810 179.6760 23 G 3.7333 8.0555 105.4095 47.8713 0.0000 175.7604 24 H 4.1900 8.2411 119.0850 58.1474 28.7365 178.0918 25 G 3.5914 8.2972 107.9089 47.8326 0.0000 175.3884 26 Q 3.8482 8.4802 122.7772 58.9315 29.0174 178.3565 27 E 3.8798 7.7872 119.5973 59.1086 29.3564 179.4317 28 V 3.4769 7.7794 118.3561 66.0490 31.5584 178.1461 29 L 3.3574 7.4491 118.0275 57.4643 41.2561 179.5367 30 I 3.5829 7.3914 119.6604 64.4592 37.0562 178.6242 31 R 3.8378 8.0005 118.9676 59.0821 29.8208 178.8497 32 L 3.9315 7.8488 120.0741 58.3153 41.6241 179.1688 33 F 4.5575 8.2262 118.0894 60.5120 38.6250 178.0475 34 K 4.1471 8.2809 117.7177 59.4234 31.9616 179.4524 35 G 3.7487 8.0095 104.9603 46.8121 0.0000 173.9073 36 H 4.7432 8.4972 118.6027 51.8669 30.4052 171.6903 37 P 4.5042 0.0000 0.0000 64.6768 30.9735 177.4524 38 E 4.1131 8.2999 116.0343 59.5253 29.4568 179.1899 39 T 3.7720 8.0923 110.9458 64.4927 68.7635 176.3129 40 L 3.5739 8.0727 123.2165 57.7578 41.7511 178.5777 41 E 4.0152 7.7733 117.4510 59.2607 29.4271 178.9138 42 K 4.3421 8.0565 118.0083 57.1851 32.5833 176.2706 43 F 4.6649 8.2933 118.2567 55.6092 40.0658 175.7514 44 D 4.3197 8.7651 126.3566 57.3397 40.7729 179.1988 45 K 3.7141 7.8750 117.9252 58.6970 32.0429 176.6340 46 F 5.1178 7.8496 114.7659 56.7478 40.4543 176.8803 47 K 4.0010 8.0271 120.4435 59.3299 32.4385 177.8642 48 H 4.4033 8.1408 113.9586 57.0088 28.9395 175.3217 49 L 4.2388 7.7106 122.1336 54.6902 41.7025 176.8589 50 K 4.4237 8.7666 122.6161 56.1352 32.9939 176.4133 51 S 4.5410 7.3245 112.8507 56.2388 66.3235 175.6761 52 E 3.8664 8.5050 122.8489 59.5157 29.2609 178.2416 53 D 4.3122 8.0795 117.4033 57.6426 40.8860 178.1361 54 E 3.9992 7.7616 117.7581 59.6054 29.2106 179.2463 55 M 4.0171 8.1699 118.2933 58.3368 32.0829 178.6144 56 K 4.0316 8.2486 117.8545 59.3026 32.2891 178.8261 57 A 4.3358 7.5747 119.2327 52.8889 18.6218 177.4333 58 S 4.1377 7.4249 112.9580 58.2292 62.8282 174.4462 59 E 3.9869 8.9543 129.2589 59.5513 29.4412 178.2917 60 D 4.5352 8.1804 118.5630 57.1400 40.8772 178.3479 61 L 3.5665 8.1841 121.1242 57.6507 42.0145 178.8076 62 K 3.8332 7.7301 119.5973 59.5072 32.2561 178.7900 63 K 3.9635 8.0702 118.5942 59.9451 32.0591 178.9125 64 H 4.4366 8.7970 118.8109 59.0364 29.7900 177.3423 65 G 3.6415 8.3901 108.0248 47.7894 0.0000 174.9425 66 N 4.2729 8.1612 119.4004 56.7825 38.9579 176.9721 67 T 3.8626 7.6392 116.4151 66.6178 68.5824 176.7015 68 V 3.5794 7.7457 119.8815 66.2619 31.5548 178.1266 69 L 4.2785 7.9864 118.4688 57.6799 41.4843 179.6461 70 T 3.9434 8.2511 115.9490 66.4851 68.3348 176.3866 71 A 3.9706 8.0026 122.6407 55.2834 18.4517 179.5362 72 L 3.8186 7.9644 118.9447 58.0355 42.1146 179.3118 73 G 3.3356 8.5659 106.2736 47.3655 0.0000 175.8393 74 G 3.6443 7.7414 107.1732 47.7586 0.0000 175.5683 75 I 3.8511 7.4027 122.1023 64.0991 37.1704 178.6440 76 L 4.0009 7.5746 119.7894 57.6405 41.1378 179.7214 77 K 3.9950 7.7693 117.4094 58.7288 32.1577 178.7322 78 K 3.9817 7.7273 117.0606 55.8389 32.6927 176.5434 79 K 2.0000 8.2001 118.4673 56.4536 29.7408 175.5559 80 G 3.8570 7.7569 105.8598 45.7300 0.0000 173.6956 81 H 4.5816 8.1097 120.3148 55.1487 27.3933 175.3345 82 H 5.0920 7.2502 114.4256 54.7165 29.4064 175.7636 83 E 3.9850 8.3407 123.1143 59.9986 28.9679 178.9302 84 A 3.9716 7.9135 119.0901 55.3643 18.2554 179.0251 85 E 4.0604 8.1412 116.5188 59.5057 29.5730 179.0846 86 L 4.2036 8.0492 119.8413 57.5065 42.1561 178.9514 87 T 3.8651 7.8487 116.1190 66.3506 68.4433 174.6429 88 P 4.2923 0.0000 0.0000 65.3872 31.2763 178.4300 89 L 4.0271 7.5113 115.8196 58.0954 41.9403 178.9835 90 A 4.1705 8.2941 120.8915 55.0926 18.2605 179.2254 91 Q 3.9100 8.2460 118.3812 59.5220 29.1709 178.9530 92 S 3.9956 8.0918 115.1646 61.8259 62.9547 176.1062 93 H 4.3001 8.6929 119.8140 58.3272 28.1739 177.3599 94 A 2.6388 7.8983 122.7823 54.3161 18.3009 178.6592 95 T 3.8518 7.7895 106.8415 63.5650 69.4817 176.1607 96 K 3.9912 7.2220 122.0174 58.7470 32.6904 177.3165 97 H 4.2466 8.4115 116.6980 56.3769 29.4461 175.7342 98 K 3.3519 7.4172 117.2883 56.9835 28.7016 174.0175 99 I 4.4084 8.5718 119.5892 58.5258 38.8859 174.8729 100 P 4.5758 0.0000 0.0000 62.8947 31.7629 177.8600 101 V 3.8179 8.4607 113.0399 63.9491 31.4494 178.7201 102 K 3.9841 7.8931 119.9699 59.6400 32.0275 178.5498 103 Y 4.1940 7.7642 117.3982 60.7015 37.7609 178.1362 104 L 4.2248 7.8909 119.7447 57.8525 41.2718 179.1672 105 E 4.1059 8.2162 118.6466 59.1863 29.3536 179.3481 106 F 4.6133 7.9223 118.0996 60.8090 38.9937 177.5534 107 I 3.8680 8.1064 118.2508 63.9133 37.7582 178.0215 108 S 4.1839 8.2947 116.3695 61.6366 62.6337 176.3049 109 E 4.0051 8.4563 121.6798 59.2545 29.3418 178.6242 110 A 4.4258 8.1195 122.1644 54.5932 18.3356 179.6365 111 I 3.6293 7.7946 118.2759 64.6870 37.1872 178.7267 112 I 3.7413 7.8279 120.4760 64.4946 36.8301 178.4066 113 Q 4.0124 8.3172 119.0499 59.1036 28.5760 179.3391 114 V 3.5125 7.9899 119.2378 65.8883 31.5340 178.0724 115 L 3.7627 7.8699 118.8336 57.6574 41.0901 179.2397 116 Q 4.2260 7.8555 118.4601 59.3814 29.0845 178.3466 117 S 4.2341 8.0038 115.1163 61.5273 63.0297 176.3643 118 K 4.1106 8.2202 119.5711 57.7155 33.3760 176.9281 119 H 5.0417 8.4948 116.3550 53.6425 29.4551 172.5595 120 P 4.3889 0.0000 0.0000 65.9159 31.6990 178.7282 121 G 3.7273 8.1609 106.7014 47.7689 0.0000 173.7690 122 D 4.6384 8.0092 117.2998 54.8341 42.2307 177.1024 123 F 5.0230 7.8203 123.2589 58.7916 37.1830 175.3752 124 G 3.8416 7.6904 107.6672 44.1606 0.0000 171.4216 125 A 3.8636 8.4526 120.7809 55.3405 18.3327 179.6784 126 D 4.1986 7.9795 116.4647 57.5114 40.9601 178.6835 127 A 3.9522 7.8128 120.4613 55.2889 18.3895 179.3903 128 Q 3.4604 7.6524 116.6527 58.9309 28.7510 179.5360 129 G 3.5076 8.0287 106.3394 47.5397 0.0000 175.4862 130 A 3.8272 8.0455 123.4533 55.1798 18.4671 179.4233 131 M 4.0213 8.2110 116.6737 58.9033 32.2466 178.5090 132 S 4.1776 8.5548 115.7530 61.6344 62.9251 176.8245 133 K 3.8872 7.9848 120.9074 59.2782 31.7201 179.2275 134 A 3.8301 7.9368 121.0200 55.2240 18.3182 179.7371 135 L 4.1265 7.9586 117.4153 57.6860 41.6617 179.2739 136 E 3.9925 8.6109 119.9159 58.9049 29.4531 178.5530 137 L 3.9397 8.3240 120.9085 58.0836 42.2130 178.4159 138 F 4.0556 8.3637 120.5438 61.5971 39.1652 177.3093 139 R 3.5616 8.1138 117.1684 59.1968 29.9224 178.7813 140 N 4.2279 8.2137 116.2258 56.5872 38.6963 177.2648 141 D 4.3284 8.3123 120.4697 57.4760 40.7480 178.8233 142 M 3.7117 7.6604 119.0162 58.1775 31.9731 178.6636 143 A 3.6542 7.9183 120.9853 54.9516 18.3544 179.5782 144 A 3.9687 7.8744 119.2853 55.1711 18.4295 180.0494 145 K 4.0366 7.8487 116.6742 59.5052 31.8977 179.1306 146 Y 4.4969 8.4109 117.5950 61.0617 37.7414 178.4250 147 K 3.9093 8.0715 120.1770 59.8633 32.0820 178.4374 148 E 4.0292 7.8278 117.7540 59.0127 29.6620 178.1609 149 L 4.2786 8.0236 117.5847 55.6053 41.7539 177.9411 150 G 3.9107 7.6218 106.7904 45.3795 0.0000 173.5447 151 F 4.5395 9.9511 121.7378 57.9546 39.7736 177.2093 152 Q 3.3568 6.1011 125.2071 57.1892 28.8361 178.0505 153 G 3.7170 8.3427 113.7513 46.2728 0.0000 173.4876 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 G 8.35 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 0.00 0.00 0.00 2 L 8.08 4.39 0.00 0.66 0.82 0.59 -0.69 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 3 S 9.89 4.51 0.00 4.00 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 4 D 8.80 4.71 0.00 2.77 2.85 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 5 G 8.11 3.68 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 0.00 0.00 0.00 6 E 8.16 3.89 0.00 2.04 1.71 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 2.22 2.27 0.00 7 W 8.05 4.24 0.00 3.61 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 8 Q 8.13 4.07 0.00 2.45 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 9 L 7.78 4.02 0.00 1.93 1.73 0.94 1.06 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 10 V 7.99 3.68 2.43 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 1.17 0.00 0.00 0.84 0.00 0.00 11 L 8.01 4.19 0.00 1.79 1.82 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.65 4.53 0.00 2.98 2.91 0.00 0.00 6.61 7.85 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 13 V 7.86 3.62 2.37 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 1.10 0.00 0.00 1.17 0.00 0.00 14 W 8.72 4.15 0.00 3.65 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 15 G 7.90 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 16 K 7.37 3.78 0.00 1.37 1.46 0.00 1.63 0.00 0.00 1.35 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.28 7.81 17 V 7.02 2.88 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 0.00 0.00 0.09 0.00 0.00 0.01 0.00 0.00 18 E 7.84 3.87 0.00 2.11 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 2.40 2.42 0.00 19 A 7.29 4.22 1.26 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 0.00 0.00 0.00 20 D 7.77 4.64 0.00 2.71 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 21 V 7.74 3.48 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 1.09 0.00 0.00 0.91 0.00 0.00 22 A 8.02 4.06 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 23 G 8.06 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.24 4.19 0.00 3.10 3.21 0.00 5.83 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.30 3.59 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 0.00 0.00 0.00 26 Q 8.48 3.85 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 27 E 7.79 3.88 0.00 2.09 1.87 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 2.24 2.22 0.00 28 V 7.78 3.48 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 1.05 0.00 0.00 0.92 0.00 0.00 29 L 7.45 3.36 0.00 1.52 0.93 0.76 0.52 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 I 7.39 3.58 1.89 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.74 0.86 0.00 0.00 31 R 8.00 3.84 0.00 1.77 1.94 0.00 3.08 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 32 L 7.85 3.93 0.00 1.69 1.43 1.03 0.98 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 33 F 8.23 4.56 0.00 2.89 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.28 4.15 0.00 1.68 1.84 0.00 1.82 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.64 1.60 7.81 35 G 8.01 3.75 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 0.00 0.00 0.00 36 H 8.50 4.74 0.00 2.90 2.97 0.00 5.65 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 37 P 0.00 4.50 0.00 2.16 2.12 0.00 3.85 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 2.10 2.15 0.00 38 E 8.30 4.11 0.00 2.30 2.32 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 2.53 2.66 0.00 39 T 8.09 3.77 4.32 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 0.89 0.00 0.00 40 L 8.07 3.57 0.00 1.41 1.80 -0.10 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.77 4.02 0.00 2.36 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 2.39 2.54 0.00 42 K 8.06 4.34 0.00 1.90 1.96 0.00 1.86 0.00 0.00 1.69 0.00 0.00 3.28 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.45 1.26 7.81 43 F 8.29 4.66 0.00 3.21 2.90 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 0.00 0.00 0.00 44 D 8.77 4.32 0.00 2.64 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 45 K 7.87 3.71 0.00 1.42 1.13 0.00 1.25 0.00 0.00 1.44 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.07 1.31 7.81 46 F 7.85 5.12 0.00 3.00 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 47 K 8.03 4.00 0.00 1.89 2.04 0.00 1.62 0.00 0.00 1.78 0.00 0.00 3.20 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.40 7.81 48 H 8.14 4.40 0.00 3.31 3.49 0.00 5.52 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 49 L 7.71 4.24 0.00 1.59 1.58 0.96 1.00 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 50 K 8.77 4.42 0.00 1.85 1.81 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.69 1.49 7.81 51 S 7.32 4.54 0.00 3.97 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 52 E 8.51 3.87 0.00 2.03 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 2.35 2.34 0.00 53 D 8.08 4.31 0.00 2.81 2.64 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 54 E 7.76 4.00 0.00 2.26 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 2.33 2.34 0.00 55 M 8.17 4.02 0.00 1.91 2.22 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 2.74 2.55 0.00 56 K 8.25 4.03 0.00 1.82 1.84 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.63 7.81 57 A 7.57 4.34 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 58 S 7.42 4.14 0.00 3.90 3.90 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 0.00 0.00 0.00 59 E 8.95 3.99 0.00 2.10 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 2.41 2.42 0.00 60 D 8.18 4.54 0.00 3.04 2.99 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 61 L 8.18 3.57 0.00 1.21 1.46 0.56 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.73 3.83 0.00 1.81 1.92 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.46 7.81 63 K 8.07 3.96 0.00 2.15 1.93 0.00 1.59 0.00 0.00 1.85 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.54 7.81 64 H 8.80 4.44 0.00 3.56 3.54 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.39 3.64 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 0.00 66 N 8.16 4.27 0.00 2.79 3.02 0.00 0.00 7.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 T 7.64 3.86 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 1.26 0.00 0.00 68 V 7.75 3.58 2.21 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 1.08 0.00 0.00 0.97 0.00 0.00 69 L 7.99 4.28 0.00 1.81 1.87 0.85 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.25 3.94 4.51 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 1.25 0.00 0.00 71 A 8.00 3.97 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 72 L 7.96 3.82 0.00 1.59 1.59 0.05 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.57 3.34 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 0.00 74 G 7.74 3.64 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 0.00 75 I 7.40 3.85 1.93 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 1.54 0.90 0.93 0.00 0.00 76 L 7.57 4.00 0.00 1.17 1.51 -0.08 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.77 4.00 0.00 1.74 1.81 0.00 1.89 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.46 1.44 7.81 78 K 7.73 3.98 0.00 1.77 1.82 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.57 1.74 7.81 79 K 8.20 2.00 0.00 1.14 0.74 0.00 1.46 0.00 0.00 1.44 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.36 0.74 7.81 80 G 7.76 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 H 8.11 4.58 0.00 3.05 3.19 0.00 5.64 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 82 H 7.25 5.09 0.00 3.31 3.45 0.00 5.67 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 83 E 8.34 3.98 0.00 2.09 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 2.42 2.48 0.00 84 A 7.91 3.97 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 85 E 8.14 4.06 0.00 2.26 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 2.40 2.44 0.00 86 L 8.05 4.20 0.00 1.85 1.66 0.74 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 87 T 7.85 3.87 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 1.26 0.00 0.00 88 P 0.00 4.29 0.00 2.19 2.12 0.00 3.69 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 2.14 2.16 0.00 89 L 7.51 4.03 0.00 1.86 1.89 0.97 1.07 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 90 A 8.29 4.17 1.46 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 0.00 0.00 91 Q 8.25 3.91 0.00 2.48 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 92 S 8.09 4.00 0.00 3.95 4.09 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 93 H 8.69 4.30 0.00 3.55 3.57 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.90 2.64 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 95 T 7.79 3.85 4.13 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 1.16 0.00 0.00 96 K 7.22 3.99 0.00 1.53 1.45 0.00 1.45 0.00 0.00 1.59 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.28 1.28 7.81 97 H 8.41 4.25 0.00 2.96 3.12 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.42 3.35 0.00 1.80 1.72 0.00 1.63 0.00 0.00 1.52 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.24 1.30 7.81 99 I 8.57 4.41 2.10 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 1.54 1.00 1.23 0.00 0.00 100 P 0.00 4.58 0.00 1.86 1.96 0.00 3.55 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 0.52 1.23 0.00 101 V 8.46 3.82 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 0.97 0.00 0.00 0.87 0.00 0.00 102 K 7.89 3.98 0.00 1.49 1.90 0.00 1.59 0.00 0.00 1.61 0.00 0.00 3.03 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.20 0.95 7.81 103 Y 7.76 4.19 0.00 3.28 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 0.00 104 L 7.89 4.22 0.00 1.90 1.82 0.68 1.18 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 0.00 105 E 8.22 4.11 0.00 2.13 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 0.00 2.33 2.49 0.00 106 F 7.92 4.61 0.00 3.25 2.88 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 0.00 107 I 8.11 3.87 2.02 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.37 1.12 0.00 0.00 108 S 8.29 4.18 0.00 4.19 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 0.00 109 E 8.46 4.01 0.00 2.16 2.39 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 2.40 2.40 0.00 110 A 8.12 4.43 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 0.00 111 I 7.79 3.63 2.04 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 1.57 0.68 1.01 0.00 0.00 112 I 7.83 3.74 2.10 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 1.77 0.71 1.15 0.00 0.00 113 Q 8.32 4.01 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.55 0.00 114 V 7.99 3.51 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 0.82 0.00 0.00 0.88 0.00 0.00 115 L 7.87 3.76 0.00 0.92 0.42 0.66 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 7.86 4.23 0.00 2.34 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.96 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 117 S 8.00 4.23 0.00 3.80 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 0.00 118 K 8.22 4.11 0.00 1.30 1.49 0.00 1.42 0.00 0.00 1.33 0.00 0.00 2.89 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.27 1.51 7.81 119 H 8.49 5.04 0.00 3.14 3.32 0.00 5.63 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.39 0.00 2.21 2.24 0.00 3.78 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 2.01 1.99 0.00 121 G 8.16 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.01 4.64 0.00 2.76 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 0.00 123 F 7.82 5.02 0.00 3.09 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 0.00 124 G 7.69 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.45 3.86 1.26 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 0.00 0.00 0.00 126 D 7.98 4.20 0.00 2.64 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.81 3.95 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 0.00 128 Q 7.65 3.46 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 1.38 1.66 0.00 129 G 8.03 3.51 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 0.00 0.00 0.00 130 A 8.05 3.83 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 0.00 131 M 8.21 4.02 0.00 2.42 2.38 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.88 0.00 132 S 8.55 4.18 0.00 3.85 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 0.00 133 K 7.98 3.89 0.00 1.83 1.69 0.00 1.59 0.00 0.00 1.52 0.00 0.00 2.77 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.52 7.81 134 A 7.94 3.83 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 0.00 135 L 7.96 4.13 0.00 1.80 1.82 0.99 0.72 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 0.00 136 E 8.61 3.99 0.00 2.03 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 2.31 2.32 0.00 137 L 8.32 3.94 0.00 1.83 2.00 1.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.36 4.06 0.00 3.18 3.33 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 0.00 139 R 8.11 3.56 0.00 2.07 1.89 0.00 3.26 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.01 0.00 140 N 8.21 4.23 0.00 2.84 2.83 0.00 0.00 7.09 8.06 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 0.00 141 D 8.31 4.33 0.00 2.90 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 M 7.66 3.71 0.00 1.34 1.68 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.87 0.00 143 A 7.92 3.65 1.26 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 0.00 0.00 0.00 144 A 7.87 3.97 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 K 7.85 4.04 0.00 1.98 1.93 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.49 7.81 146 Y 8.41 4.50 0.00 3.25 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 0.00 147 K 8.07 3.91 0.00 2.10 1.92 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.60 7.81 148 E 7.83 4.03 0.00 1.97 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 0.00 2.35 2.37 0.00 149 L 8.02 4.28 0.00 1.97 1.75 1.05 0.80 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 0.00 150 G 7.62 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 F 9.95 4.54 0.00 2.89 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 6.10 3.36 0.00 0.93 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.04 1.97 0.00 153 G 8.34 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