NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3982 8.3344 115.4138 57.4429 64.6292 172.6622 3 S 3.9048 8.4486 114.2940 56.9934 62.1392 173.4092 4 Q 4.2072 8.6988 125.9671 57.9124 29.3487 176.2176 5 I 4.2477 7.0367 109.5064 60.6146 39.0650 176.1071 6 R 4.2957 7.4583 121.4003 56.3198 29.2336 175.6434 7 Q 4.2441 8.7948 123.6114 56.4347 31.3454 173.1739 8 N 4.2849 9.0344 123.0726 54.5575 37.3524 172.7971 9 Y 4.9186 7.3177 118.4340 55.2540 39.0917 175.9614 10 S 4.3224 8.1296 123.4463 58.0615 65.5671 175.1216 11 T 3.7713 8.2846 114.3726 64.8810 68.6096 176.5013 12 D 4.2765 7.8485 121.6983 56.9863 40.8512 178.6152 13 V 3.4307 7.4085 118.3457 65.8312 31.5383 177.2257 14 E 3.7016 7.4569 118.8559 59.7364 29.4756 178.9955 15 A 3.9619 7.8870 119.8316 54.9517 18.3983 179.4736 16 A 3.9485 7.7918 119.2710 54.9940 18.2925 180.0561 17 V 3.5100 8.1439 117.2825 66.4469 31.8562 177.9697 18 N 4.1812 8.0554 116.1462 56.3498 38.2724 177.4612 19 S 4.0554 7.8553 114.1722 61.2948 62.5154 175.9678 20 L 3.9648 7.9940 123.1294 57.8622 41.7003 178.9026 21 V 3.7764 8.1581 118.7389 66.3197 31.4804 177.5670 22 N 4.3081 8.0394 116.1179 56.5842 38.7266 176.5034 23 L 3.9473 7.8999 121.8647 58.2336 42.1372 178.7007 24 Y 4.1457 8.2229 116.8261 61.0800 37.9554 177.8527 25 L 3.8818 8.3433 120.3753 58.0532 41.6774 179.5503 26 Q 4.1008 8.4437 119.1220 59.0819 29.0496 178.0751 27 A 3.9673 8.0836 121.9683 55.0727 18.4422 179.4765 28 S 4.3381 8.9741 112.0805 61.9515 62.5828 175.7790 29 Y 4.5012 8.3005 122.1530 61.2589 38.5407 178.2142 30 T 3.8020 8.0972 116.7164 66.7694 68.4030 176.3640 31 Y 4.1224 7.9368 118.6974 60.6619 37.8886 177.9223 32 L 4.1435 8.3475 121.4735 58.4347 42.2455 178.9202 33 S 4.3126 8.1767 112.8339 61.4629 62.4202 176.1038 34 L 3.4505 7.6660 121.5269 57.5523 41.0632 179.3120 35 G 4.0023 8.5971 104.6428 48.4973 0.0000 175.4357 36 F 4.3589 8.4764 120.4787 59.6620 38.7732 177.2900 37 Y 4.2872 8.1588 119.7727 60.7920 38.5765 177.8240 38 F 4.2169 8.2507 117.0250 59.2047 38.8909 176.4047 39 D 4.4851 7.8147 116.5435 54.6273 41.8279 176.5237 40 R 4.1149 7.1820 118.8431 56.5711 30.7003 177.3913 41 D 4.5996 8.6647 120.4455 56.1892 39.6065 177.3885 42 D 4.4700 7.9991 118.1452 55.0580 40.1575 177.4801 43 V 3.6714 7.7882 118.4409 64.9021 32.4984 175.5452 44 A 3.8206 8.2150 119.5761 53.3370 16.0249 178.0049 45 L 4.6887 8.3999 120.7899 50.8542 43.3001 177.4518 46 E 4.0053 8.7214 123.6474 59.0425 29.7053 178.0916 47 G 3.5810 8.0018 105.0218 47.8726 0.0000 175.4815 48 V 3.1382 7.4637 120.7339 65.3371 31.4761 177.6060 49 S 4.2481 8.1914 113.1035 61.8674 62.1776 175.6556 50 H 4.1036 8.5978 121.1160 59.0973 29.6853 176.5487 51 F 3.6907 8.1896 122.6714 61.6530 39.0741 177.3478 52 F 4.2424 7.8881 116.9326 60.4888 38.7960 177.9084 53 R 4.0197 8.0698 117.8613 59.2169 29.7219 178.9562 54 E 3.7764 8.0338 118.3051 59.3620 29.4687 179.2685 55 L 3.5766 7.1561 118.1911 57.6166 41.5685 179.4416 56 A 4.1736 8.2948 120.9877 55.2292 18.3373 179.3630 57 E 3.8653 7.9771 117.5690 59.3754 29.7075 178.7852 58 E 3.8770 8.2830 119.0145 59.4366 29.5180 179.5751 59 K 4.1179 8.2391 118.4756 59.4193 32.0451 179.4125 60 R 3.0363 7.8517 118.9424 59.1374 29.9387 178.4628 61 E 3.9392 8.0787 118.4881 58.7256 29.3553 179.4436 62 G 3.2543 7.6257 106.4227 47.9129 0.0000 175.4930 63 Y 4.4201 7.8073 120.8286 59.1547 38.0437 177.9102 64 E 4.0704 7.6417 120.7754 59.1402 29.4529 179.0360 65 R 4.0042 8.0511 119.0148 59.1434 30.0740 178.5240 66 L 4.1988 8.3052 118.8670 58.0933 41.6242 179.5177 67 L 4.0582 8.3258 118.9714 57.6255 41.0163 179.6127 68 K 3.9701 8.1112 119.7431 59.7096 32.2243 178.6407 69 M 3.9373 8.2400 118.7447 58.3270 32.1685 177.6741 70 Q 3.8557 8.2774 120.2251 59.5734 29.0883 178.5116 71 N 4.3515 7.8969 117.1074 56.3960 38.3066 177.4195 72 Q 3.9555 7.4428 117.5165 59.0308 29.2295 178.8249 73 R 3.7926 7.6501 118.5432 57.0596 29.7724 178.1315 74 G 4.0716 7.4864 105.2523 44.9632 0.0000 174.0412 75 G 4.6359 7.4937 107.7342 44.7419 0.0000 173.2162 76 R 4.6219 8.1436 117.6705 53.9434 32.8274 175.8904 77 A 4.9130 8.2649 123.6506 50.6864 19.6746 176.9857 78 L 4.6194 7.9908 121.0081 52.9482 44.6562 176.1350 79 F 4.7349 8.7551 122.4116 56.0698 40.5639 175.0399 80 Q 4.7793 8.2729 121.6424 53.4866 32.3341 174.9970 81 D 4.4407 8.5695 118.6500 54.9643 41.2352 176.9066 82 I 4.3680 7.9867 122.5508 59.1835 37.7932 175.9373 83 K 4.0695 8.5735 125.7056 55.8546 32.4173 177.5603 84 K 3.8193 8.4555 122.2691 55.8111 31.7188 174.7387 85 P 4.3383 0.0000 0.0000 62.4280 31.7452 177.8071 86 A 4.1167 8.6495 123.2194 54.4458 18.4931 177.0559 87 E 4.3257 6.7623 112.4526 54.6756 33.1307 174.9094 88 D 4.7887 7.8949 116.9027 54.2838 43.0747 176.5257 89 E 3.9607 7.0130 116.3532 54.1805 33.2955 174.8188 90 W 4.4599 6.0155 120.1577 56.0200 31.0746 177.8297 91 G 3.6904 7.6436 109.7739 47.2544 0.0000 176.2812 92 K 4.7158 9.2039 126.0818 54.3754 35.3708 176.6921 93 T 4.1744 8.6831 116.3192 67.0582 68.2496 174.6833 94 P 4.3438 0.0000 0.0000 65.6537 31.3841 178.3067 95 D 4.4299 8.2944 116.9035 57.5106 40.8788 178.6479 96 A 4.2299 8.1981 120.6588 55.4971 18.3799 179.2735 97 M 4.3001 8.5188 116.7793 58.8713 32.2283 178.6686 98 K 4.0460 8.3611 118.4674 59.4600 32.2905 179.1860 99 A 4.1129 8.2634 120.8816 55.0034 18.1679 179.6783 100 A 3.9347 8.1582 119.4060 55.5250 18.6181 179.2677 101 M 4.0152 8.4169 116.8845 58.8935 32.2249 178.2436 102 A 3.9996 8.4297 121.0111 55.1327 18.5567 179.1540 103 L 3.8759 7.9563 118.7646 58.4855 42.0289 179.0814 104 E 4.0473 8.5214 118.4609 59.4618 29.3615 179.4673 105 K 3.9239 8.1679 118.4727 59.3429 32.1098 179.2317 106 K 3.9043 8.2233 119.8598 59.4091 32.0325 178.8716 107 L 3.7956 8.0063 119.2499 57.8916 41.5532 178.8355 108 N 4.2971 8.8772 117.4755 56.7654 38.7091 176.5727 109 Q 3.9111 8.4582 120.8934 59.2874 29.2947 178.1265 110 A 3.9659 8.0845 121.6404 55.0226 18.2791 179.7417 111 L 3.9128 8.0441 117.7725 57.8932 41.6740 179.4641 112 L 4.0006 8.2413 119.2864 58.0121 41.5183 179.3155 113 D 4.3557 8.2877 118.8120 57.4634 40.8028 178.7923 114 L 3.9716 7.9358 120.5228 58.1188 41.9223 178.5334 115 H 4.1681 8.2473 118.3830 58.8668 29.8463 176.9356 116 A 4.0240 8.3403 122.9746 55.2760 18.3606 179.3238 117 L 4.0199 8.3589 119.2542 58.1987 42.0791 179.4828 118 G 3.5804 7.9983 105.6793 47.8926 0.0000 175.8146 119 S 4.1239 8.3279 117.8277 61.2072 62.6192 176.5547 120 A 4.0527 7.8582 122.2686 55.0205 18.1683 179.0139 121 R 4.3400 7.6615 113.2285 54.6726 31.7092 177.1728 122 T 3.4571 7.4148 107.5588 63.0359 67.6933 172.9025 123 D 4.8680 8.0854 122.8908 51.4306 41.7646 173.8815 124 P 4.3016 0.0000 0.0000 65.6065 31.3168 177.8765 125 H 4.1108 8.2356 117.4741 59.1097 29.8742 176.8706 126 L 4.0530 7.9812 121.7277 58.2358 41.8491 178.7762 127 C 4.0874 7.9620 116.7843 62.7776 28.1164 175.4819 128 D 4.3344 8.4690 119.9829 57.3871 40.8437 177.8674 129 F 4.1474 8.5265 121.3384 61.5479 39.3459 177.1238 130 L 4.3659 8.1797 118.0051 57.5535 41.2620 179.1748 131 E 3.9872 8.1902 117.9136 59.7575 29.5632 179.1590 132 T 3.8607 8.0670 114.4622 66.8248 68.6614 175.7320 133 H 4.4392 7.4750 114.5939 56.0176 29.7441 175.9530 134 F 4.6975 7.7315 116.8874 59.3675 40.8104 177.1348 135 L 3.9322 8.0576 117.8265 58.6031 41.4585 179.3253 136 D 4.3322 8.0041 116.7119 57.5858 41.4184 178.2084 137 E 3.9820 8.1641 118.5366 59.3546 29.3522 179.1355 138 E 4.0650 8.5608 119.0312 59.1768 29.4844 179.3044 139 V 3.6064 7.7271 118.0383 66.1895 31.5893 178.3020 140 K 3.9726 8.2151 118.1279 59.2060 31.7380 179.2337 141 L 3.9808 7.8844 120.7165 58.2163 42.1005 179.1107 142 I 3.7614 8.0414 119.9557 64.1238 37.0691 178.0498 143 K 3.8158 8.3222 120.8388 59.6516 32.0654 178.5720 144 K 4.1648 8.1676 120.9790 59.3445 32.1271 178.6242 145 M 4.3151 8.5438 119.3000 58.2282 31.8632 178.9563 146 G 3.6391 8.7314 106.2531 48.0570 0.0000 175.3816 147 D 4.4007 8.1495 121.6485 57.3425 40.7453 178.8457 148 H 4.1709 8.0001 116.4644 58.7523 28.6296 177.6947 149 L 4.0006 7.9314 120.7972 58.1511 41.4720 179.6642 150 T 3.8580 7.9214 115.4225 66.9853 68.3367 176.4895 151 N 4.4009 8.1718 118.1803 56.0885 38.2753 177.6544 152 L 3.9880 8.3821 120.2179 57.9946 41.8047 178.6740 153 H 4.2581 8.3640 117.4720 59.2810 29.9201 176.9941 154 R 4.0699 8.0238 119.4241 58.6399 31.2085 177.7017 155 L 4.5492 7.4655 120.3997 53.0739 38.3850 177.0290 156 G 3.7084 7.4499 110.8882 45.7937 0.0000 170.7887 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 S 8.33 4.40 0.00 4.01 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 3 S 8.45 3.90 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 4 Q 8.70 4.21 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.62 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 5 I 7.04 4.25 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.66 0.90 0.00 0.00 6 R 7.46 4.30 0.00 1.90 1.98 0.00 3.22 0.00 0.00 3.05 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 7 Q 8.79 4.24 0.00 2.07 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.05 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 8 N 9.03 4.28 0.00 2.89 2.90 0.00 0.00 7.04 7.54 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 9 Y 7.32 4.92 0.00 2.98 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 10 S 8.13 4.32 0.00 4.00 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 11 T 8.28 3.77 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 1.16 0.00 0.00 12 D 7.85 4.28 0.00 2.66 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 13 V 7.41 3.43 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.86 0.00 0.00 14 E 7.46 3.70 0.00 1.73 1.88 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 2.25 2.34 0.00 15 A 7.89 3.96 1.28 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 0.00 0.00 16 A 7.79 3.95 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 17 V 8.14 3.51 2.29 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 1.14 0.00 0.00 1.03 0.00 0.00 18 N 8.06 4.18 0.00 2.85 2.74 0.00 0.00 6.77 7.14 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 19 S 7.86 4.06 0.00 3.98 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 20 L 7.99 3.96 0.00 1.93 1.87 0.82 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.16 3.78 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 1.02 0.00 0.00 22 N 8.04 4.31 0.00 2.83 2.94 0.00 0.00 6.95 6.08 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 23 L 7.90 3.95 0.00 1.87 1.78 0.86 0.87 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 24 Y 8.22 4.15 0.00 3.61 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 25 L 8.34 3.88 0.00 1.80 1.63 0.96 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.44 4.10 0.00 2.42 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 27 A 8.08 3.97 1.54 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 0.00 0.00 28 S 8.97 4.34 0.00 4.20 4.49 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.30 4.50 0.00 3.26 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 30 T 8.10 3.80 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 0.96 0.00 0.00 31 Y 7.94 4.12 0.00 3.29 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 32 L 8.35 4.14 0.00 2.00 2.20 1.34 0.90 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 33 S 8.18 4.31 0.00 4.02 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.67 3.45 0.00 1.57 1.01 -0.03 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.60 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 0.00 0.00 0.00 36 F 8.48 4.36 0.00 3.35 3.23 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 37 Y 8.16 4.29 0.00 3.29 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 38 F 8.25 4.22 0.00 3.41 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 39 D 7.81 4.49 0.00 2.73 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 R 7.18 4.11 0.00 1.81 1.96 0.00 3.38 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.88 0.00 41 D 8.66 4.60 0.00 2.80 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 42 D 8.00 4.47 0.00 2.81 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 43 V 7.79 3.67 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 0.79 0.00 0.00 0.32 0.00 0.00 44 A 8.21 3.82 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 45 L 8.40 4.69 0.00 1.77 1.48 1.00 1.00 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 46 E 8.72 4.01 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 47 G 8.00 3.58 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 0.00 0.00 0.00 0.00 48 V 7.46 3.14 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 -0.25 0.00 0.00 0.55 0.00 0.00 49 S 8.19 4.25 0.00 4.09 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.60 4.10 0.00 3.23 3.39 0.00 5.68 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.19 3.69 0.00 2.95 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.89 4.24 0.00 3.28 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 53 R 8.07 4.02 0.00 1.96 1.94 0.00 2.75 0.00 0.00 3.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.92 0.00 54 E 8.03 3.78 0.00 1.75 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 2.04 2.15 0.00 55 L 7.16 3.58 0.00 1.17 0.33 0.52 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.29 4.17 1.54 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 0.00 0.00 57 E 7.98 3.87 0.00 2.23 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 2.25 2.33 0.00 58 E 8.28 3.88 0.00 2.08 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 2.20 2.39 0.00 59 K 8.24 4.12 0.00 2.20 2.29 0.00 2.29 0.00 0.00 1.91 0.00 0.00 3.04 0.00 0.00 3.60 0.00 0.00 0.00 0.00 1.93 2.06 7.81 60 R 7.85 3.04 0.00 2.01 1.94 0.00 3.09 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.59 0.00 61 E 8.08 3.94 0.00 2.07 1.80 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 2.20 2.31 0.00 62 G 7.63 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 0.00 0.00 0.00 63 Y 7.81 4.42 0.00 3.34 3.38 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 64 E 7.64 4.07 0.00 2.03 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 2.32 2.07 0.00 65 R 8.05 4.00 0.00 1.98 2.17 0.00 2.54 0.00 0.00 2.47 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.62 0.00 66 L 8.31 4.20 0.00 2.13 1.83 1.13 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.33 4.06 0.00 1.86 1.85 1.39 0.67 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 68 K 8.11 3.97 0.00 2.20 2.05 0.00 1.55 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.52 7.81 69 M 8.24 3.94 0.00 1.64 1.44 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.23 0.00 70 Q 8.28 3.86 0.00 2.26 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 71 N 7.90 4.35 0.00 2.93 2.84 0.00 0.00 7.11 7.94 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 72 Q 7.44 3.96 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.02 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 73 R 7.65 3.79 0.00 0.93 0.66 0.00 2.90 0.00 0.00 2.81 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.92 0.00 74 G 7.49 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 G 7.49 4.64 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 76 R 8.14 4.62 0.00 1.76 1.82 0.00 3.34 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 77 A 8.26 4.91 1.04 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 78 L 7.99 4.62 0.00 1.48 1.50 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 79 F 8.76 4.73 0.00 3.03 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 80 Q 8.27 4.78 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.97 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 81 D 8.57 4.44 0.00 2.69 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.99 4.37 1.94 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.61 1.09 0.00 0.00 83 K 8.57 4.07 0.00 1.76 1.76 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.46 7.81 84 K 8.46 3.82 0.00 1.70 1.83 0.00 1.53 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.37 7.81 85 P 0.00 4.34 0.00 2.46 2.31 0.00 3.31 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.65 0.00 86 A 8.65 4.12 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 87 E 6.76 4.33 0.00 1.16 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 1.51 1.47 0.00 88 D 7.89 4.79 0.00 2.43 2.56 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 89 E 7.01 3.96 0.00 1.53 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 2.12 2.15 0.00 90 W 6.02 4.46 0.00 2.99 3.15 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 91 G 7.64 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 92 K 9.20 4.72 0.00 2.05 1.88 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.55 7.81 93 T 8.68 4.17 4.30 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 1.13 0.00 0.00 94 P 0.00 4.34 0.00 2.23 2.17 0.00 3.67 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 95 D 8.29 4.43 0.00 3.21 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 96 A 8.20 4.23 1.81 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 97 M 8.52 4.30 0.00 2.36 2.23 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.63 0.00 98 K 8.36 4.05 0.00 2.14 1.91 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.65 7.81 99 A 8.26 4.11 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 0.00 100 A 8.16 3.93 1.82 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 0.00 101 M 8.42 4.02 0.00 2.39 2.19 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.68 0.00 102 A 8.43 4.00 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 0.00 103 L 7.96 3.88 0.00 1.79 1.87 0.86 0.33 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 0.00 104 E 8.52 4.05 0.00 2.27 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 2.76 2.68 0.00 105 K 8.17 3.92 0.00 1.99 1.88 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.50 7.81 106 K 8.22 3.90 0.00 1.82 2.00 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.46 7.81 107 L 8.01 3.80 0.00 1.94 1.60 1.03 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.88 4.30 0.00 2.92 2.99 0.00 0.00 6.94 7.42 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 0.00 109 Q 8.46 3.91 0.00 2.33 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 110 A 8.08 3.97 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 0.00 111 L 8.04 3.91 0.00 1.92 1.77 1.10 0.32 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 0.00 112 L 8.24 4.00 0.00 1.87 1.74 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 113 D 8.29 4.36 0.00 2.86 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 0.00 114 L 7.94 3.97 0.00 1.87 1.83 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 115 H 8.25 4.17 0.00 3.32 3.46 0.00 5.65 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 0.00 116 A 8.34 4.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 L 8.36 4.02 0.00 1.74 1.92 0.89 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 118 G 8.00 3.58 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 0.00 0.00 0.00 0.00 119 S 8.33 4.12 0.00 4.04 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 0.00 120 A 7.86 4.05 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 0.00 121 R 7.66 4.34 0.00 1.82 1.94 0.00 3.45 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 122 T 7.41 3.46 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 1.27 0.00 0.00 123 D 8.09 4.87 0.00 2.72 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 0.00 124 P 0.00 4.30 0.00 2.34 2.33 0.00 3.80 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 2.12 2.06 0.00 125 H 8.24 4.11 0.00 3.23 3.50 0.00 5.67 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 7.98 4.05 0.00 1.92 1.89 1.00 0.95 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 0.00 127 C 7.96 4.09 0.00 3.14 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 0.00 128 D 8.47 4.33 0.00 2.88 2.84 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 0.00 129 F 8.53 4.15 0.00 3.17 3.30 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 0.00 130 L 8.18 4.37 0.00 2.07 1.86 1.05 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 131 E 8.19 3.99 0.00 2.15 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 2.40 2.72 0.00 132 T 8.07 3.86 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 0.92 0.00 0.00 133 H 7.47 4.44 0.00 2.35 2.61 0.00 5.61 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 F 7.73 4.70 0.00 3.18 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.06 3.93 0.00 1.74 1.76 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 136 D 8.00 4.33 0.00 2.73 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 0.00 137 E 8.16 3.98 0.00 2.13 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 2.47 0.00 138 E 8.56 4.06 0.00 2.34 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 2.66 2.65 0.00 139 V 7.73 3.61 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 1.14 0.00 0.00 0.99 0.00 0.00 140 K 8.22 3.97 0.00 1.85 1.85 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.71 7.81 141 L 7.88 3.98 0.00 1.94 1.94 0.95 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 142 I 8.04 3.76 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.80 0.97 0.00 0.00 143 K 8.32 3.82 0.00 1.94 2.08 0.00 1.53 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.52 7.81 144 K 8.17 4.16 0.00 2.02 2.01 0.00 1.80 0.00 0.00 1.90 0.00 0.00 3.23 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.36 7.81 145 M 8.54 4.32 0.00 2.23 2.34 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.02 2.83 0.00 146 G 8.73 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 0.00 147 D 8.15 4.40 0.00 2.78 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.00 4.17 0.00 3.30 3.18 0.00 5.63 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 0.00 149 L 7.93 4.00 0.00 1.93 1.76 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 150 T 7.92 3.86 4.41 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 1.20 0.00 0.00 151 N 8.17 4.40 0.00 2.86 2.85 0.00 0.00 7.11 6.90 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 0.00 152 L 8.38 3.99 0.00 1.79 1.75 0.90 1.10 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 0.00 153 H 8.36 4.26 0.00 3.26 3.51 0.00 5.76 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 0.00 154 R 8.02 4.07 0.00 1.97 2.14 0.00 3.31 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 155 L 7.47 4.55 0.00 1.74 1.62 0.91 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 156 G 7.45 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