NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8224 8.3544 109.7208 44.8588 0.0000 174.0163 4 D 4.1450 8.6311 124.0499 53.8151 42.4735 175.5166 5 K 3.9541 9.5048 128.7771 59.5539 32.7645 178.4834 6 K 3.9982 8.0724 118.2934 58.7539 32.1430 179.1207 7 V 3.6647 8.1921 118.8357 66.3327 31.3291 178.1989 8 I 3.7982 7.6225 118.7999 64.4102 36.9546 178.3631 9 Q 3.9590 8.0020 118.7687 59.2376 28.4363 178.7600 10 H 4.1121 8.6255 117.3379 58.8677 28.7442 177.5015 11 L 3.9866 8.3801 121.0903 58.3638 41.6926 179.7014 12 N 4.3525 8.4662 115.7871 55.6250 38.4311 177.5712 13 K 3.9469 7.8919 121.5192 59.3464 32.2538 178.8623 14 I 3.6527 7.9981 120.2220 64.3114 37.0005 177.7940 15 L 3.9991 8.1842 121.7029 58.5890 41.8086 179.4915 16 G 3.5911 7.9531 104.8875 47.7273 0.0000 175.3649 17 N 4.3488 8.0371 118.5453 56.3337 38.5764 177.3605 18 E 3.9539 8.4501 120.2892 59.2693 29.3991 179.2594 19 L 3.9656 8.2228 119.4209 57.7929 41.6020 179.6686 20 I 3.6176 7.5569 118.9257 64.2958 37.0202 178.0625 21 A 3.2630 7.8488 121.5076 55.0928 18.0778 179.4135 22 I 3.6102 8.0411 118.3203 65.0065 37.2780 178.4623 23 N 4.4179 7.8110 117.0328 55.9983 38.2430 177.5393 24 Q 3.8047 8.1299 121.1453 59.5037 29.1807 177.7105 25 Y 5.2759 7.9927 119.3949 60.6831 37.9425 178.5347 26 F 3.8001 8.3791 121.6125 61.0761 39.4662 177.0129 27 L 3.9780 8.0544 119.8883 58.5882 41.9254 178.4061 28 H 3.8090 8.4029 116.5153 58.9229 28.5810 177.6557 29 S 4.3373 8.3766 114.9621 61.6443 62.3866 176.3938 30 R 3.9767 7.7738 119.8464 58.5090 29.8688 179.0308 31 M 3.4507 7.8312 119.4062 57.9387 31.8930 178.4138 32 W 4.6528 7.7463 119.0405 60.2307 29.0548 178.3773 33 N 4.4097 8.4368 116.2449 56.3156 37.7118 176.9500 34 D 4.3191 7.5711 118.2329 56.9393 41.3624 177.7930 35 W 4.8492 7.9549 117.5772 57.4761 29.6878 177.2830 36 G 4.1017 8.1216 107.6101 45.3316 0.0000 173.9612 37 L 4.7734 8.1647 122.3478 53.5624 40.2634 177.6906 38 K 4.1327 8.6047 120.9003 58.7910 32.5789 179.1572 39 R 3.9107 7.9137 119.5794 59.0407 29.9854 178.4252 40 L 3.8144 7.6987 118.5827 57.4944 41.5972 179.2965 41 G 3.8607 8.1799 105.4711 47.9144 0.0000 175.5118 42 A 3.9983 8.1887 123.3530 55.2230 18.5546 179.2992 43 H 4.0665 8.1062 116.3469 59.2397 29.8426 177.1444 44 E 3.9976 8.4300 121.3771 59.2208 29.5458 177.7884 45 Y 3.9914 8.1451 119.6995 61.3571 38.7304 178.2207 46 H 4.0861 8.0830 116.5752 58.6798 28.6473 177.6887 47 E 3.8783 7.9274 120.3513 59.1754 29.2051 179.1621 48 S 4.2544 8.3652 113.4165 61.6898 62.3909 176.1238 49 I 3.5898 7.5037 122.2796 64.7688 36.8469 178.1814 50 D 4.3097 8.0806 119.3286 57.1777 40.5124 178.5976 51 E 4.1837 7.9654 119.0009 59.2359 29.5538 178.8555 52 M 4.0179 8.0771 118.9818 58.4898 32.0034 178.9618 53 K 4.0347 7.8560 118.3414 59.4252 32.2040 179.0981 54 H 4.2156 8.0350 116.3687 58.8521 28.6626 177.3706 55 A 3.9702 8.1933 122.4301 55.3313 18.1529 178.7272 56 D 4.3151 8.0968 116.1687 57.9146 41.2428 179.1886 57 K 3.9575 8.0776 118.4205 59.3748 31.9604 179.3766 58 L 3.9830 8.1110 119.2049 57.8214 41.6022 179.3647 59 I 3.7040 8.1459 120.0772 64.6257 37.0191 178.1713 60 E 3.9968 8.3911 119.2635 59.4332 29.2338 179.4878 61 R 3.9902 7.9785 118.4752 59.5217 30.1427 178.3959 62 I 3.7052 8.0672 119.8298 64.6034 37.2028 178.1484 63 L 3.9636 7.9698 119.5581 58.0823 41.2562 179.5956 64 F 4.2949 8.2688 119.5498 61.1919 39.5062 176.6110 65 L 3.7590 8.0160 115.8364 54.6693 41.5493 176.6400 66 E 3.7250 7.9790 117.6724 57.5702 27.0935 174.3344 67 G 4.0881 7.9383 109.6575 43.8828 0.0000 173.3019 68 L 4.5386 8.0821 119.9978 51.9837 42.7027 174.8121 69 P 4.2707 0.0000 0.0000 62.6035 31.5029 175.9751 70 N 4.6341 10.1942 124.2825 52.5552 38.2363 173.9704 71 L 4.5805 8.3101 124.2440 54.5356 42.2198 177.3706 72 Q 4.1198 8.3360 121.4950 57.1264 29.4745 175.2251 73 D 4.6272 8.0885 117.6195 52.5873 41.2900 175.2954 74 L 4.5209 8.2862 126.9881 52.7668 43.4066 176.8968 75 G 3.7707 8.3220 116.5843 44.9401 0.0000 171.2640 76 K 4.1770 8.3795 121.6457 55.2174 32.2853 177.2800 77 L 4.0444 8.4142 127.2623 54.6892 42.0752 177.1791 78 L 4.4197 8.6347 124.5066 53.3571 40.8645 175.1497 79 I 4.3229 8.0145 124.0990 59.2609 38.4010 176.7437 80 G 3.9995 8.7083 114.8941 45.0627 0.0000 172.4530 81 E 4.7500 8.6302 116.0869 55.7686 31.0411 175.9877 82 N 4.9196 7.7560 115.9773 50.6470 41.4851 174.9821 83 T 4.4799 8.7213 116.8453 67.3685 68.4943 176.4093 84 Q 3.9681 8.1810 120.5330 59.1726 29.0846 177.9341 85 E 3.9771 8.5921 119.6086 59.5946 29.5594 178.9114 86 M 3.8945 8.2598 119.0063 58.5840 32.0307 178.8990 87 L 4.1511 8.2566 118.8033 57.9060 41.7565 179.4215 88 Q 3.9694 8.2727 119.4738 59.3120 29.0196 177.8221 89 C 4.1110 8.8949 118.4135 63.2694 28.3520 175.9920 90 D 4.6843 8.3310 120.1932 57.3533 40.2865 178.7097 91 L 4.0108 8.0075 120.9492 58.0638 42.1008 178.6410 92 N 4.3300 8.5915 116.9590 56.3289 38.5015 177.0920 93 L 4.0168 8.1327 121.6302 58.2555 42.0828 178.9365 94 E 4.1115 8.1973 118.3283 59.1830 29.5230 179.0862 95 L 3.9866 8.2584 119.4660 57.8891 41.2964 179.5748 96 K 4.0489 8.2093 119.0456 59.0348 32.0449 178.7559 97 A 4.0906 7.9765 121.4476 55.0889 18.3899 179.6791 98 T 3.8131 8.2451 114.6781 66.6322 68.4902 176.5695 99 K 3.9057 7.9737 121.3109 59.8814 32.1749 178.5617 100 D 4.4337 7.8133 118.3894 57.0920 40.7238 178.6778 101 L 4.0064 8.1595 119.8055 57.9957 41.5045 179.8334 102 R 3.9940 8.1009 117.9257 59.1600 29.9366 179.0313 103 E 3.9682 8.1192 118.0163 59.2571 29.4852 179.1334 104 A 3.6790 7.9990 120.8775 55.1987 18.4069 179.8119 105 I 3.7032 7.8570 118.3399 64.1878 37.1233 178.9447 106 V 3.5171 7.5509 119.1982 66.2768 31.4749 177.5415 107 H 4.0196 8.0686 117.9773 59.4936 29.6902 176.8633 108 C 4.0313 8.1174 118.4669 62.8846 27.6011 175.8169 109 E 3.9675 8.1678 120.8625 59.0445 28.9757 178.6278 110 Q 3.9848 7.9676 119.1224 58.4653 29.1802 177.4935 111 V 3.9712 7.2915 110.3270 60.6932 31.8413 175.6772 112 H 3.0719 7.2760 114.1151 57.0773 26.4698 176.1055 113 D 4.5289 7.8783 121.5395 53.5297 39.2712 175.5400 114 Y 4.2902 7.7953 122.5930 60.0753 38.2874 177.4634 115 V 3.6492 7.8327 119.0747 66.2108 31.8430 178.1132 116 S 4.1542 8.5250 114.8918 61.5486 62.5331 176.7922 117 R 3.9160 8.0177 121.4976 59.2759 29.8578 178.0836 118 D 4.2980 8.2086 117.9667 57.0720 41.2773 177.6340 119 L 3.9399 8.0703 121.0153 58.5578 41.9819 179.1776 120 L 4.0347 7.9200 118.5490 57.5160 41.4968 179.4599 121 K 3.9484 8.2195 119.9116 59.4280 32.2099 178.7062 122 D 4.3296 8.1026 119.1493 57.4677 40.8032 178.5198 123 I 3.4707 7.7113 120.2730 64.3258 37.0573 178.0953 124 L 3.9305 8.1559 121.1249 58.3456 42.0212 178.7896 125 E 3.9606 8.3124 118.9985 59.0131 29.4899 178.7761 126 S 4.1389 7.9408 113.3410 61.3699 62.4513 175.9195 127 E 4.1021 8.3893 121.3675 59.5218 29.1245 179.1375 128 E 4.0066 8.4712 118.7118 59.5258 29.5058 179.2085 129 E 4.0084 8.1542 118.1456 59.6741 29.4240 178.9464 130 H 4.3826 8.2746 118.2250 59.3139 29.9771 177.2586 131 I 3.6645 8.0502 121.7906 64.4429 36.9851 177.4137 132 D 4.3525 8.2999 118.9742 57.8005 40.9725 177.8765 133 Y 4.1300 8.0197 119.3796 60.7845 38.8432 177.9322 134 L 3.5927 8.1763 120.0233 58.0319 41.7307 179.6299 135 E 3.9314 8.6537 118.4872 59.4783 29.2440 179.5541 136 T 3.7961 7.8907 115.8189 66.7770 68.5524 176.6494 137 Q 3.8151 7.7512 119.7962 58.7339 28.5021 178.9057 138 L 3.8317 7.7285 120.0532 57.6249 41.6993 179.4150 139 G 3.7880 8.0081 105.7221 48.1383 0.0000 175.2698 140 L 4.0092 8.5379 122.5292 57.4522 41.6704 179.6496 141 I 3.5081 7.3930 119.4076 64.6274 36.8171 178.4100 142 Q 3.9824 7.4469 117.2336 58.7906 28.5627 178.9941 143 K 4.1160 7.8449 118.3916 59.4435 32.4544 179.3936 144 V 3.9846 8.2064 110.1065 60.8426 32.4486 177.5101 145 G 4.0369 7.7033 105.5815 45.5145 0.0000 174.3533 146 L 3.9680 8.4910 122.2579 58.1388 42.1189 179.3799 147 E 4.1124 8.1366 117.9205 59.0245 29.4773 178.8191 148 N 4.3418 8.0982 116.3416 56.2964 38.5084 176.4426 149 Y 3.9856 7.9348 119.7049 60.7856 39.2243 177.8871 150 L 4.1019 8.1318 119.7049 57.8498 41.8881 179.1156 151 Q 3.9151 8.0576 119.3542 59.5082 28.7864 178.6687 152 S 4.2787 8.1332 113.8828 60.4047 62.9776 174.5552 153 H 4.7022 8.1187 118.9165 55.6722 29.6963 175.8166 154 M 4.1335 7.8503 119.9816 57.9497 32.0029 176.3969 155 H 5.0777 7.4476 114.5356 54.4808 30.5204 175.3625 156 E 4.1387 8.5818 119.9691 56.8452 29.3624 177.0028 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 G 8.35 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 4 D 8.63 4.15 0.00 2.86 2.58 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 5 K 9.50 3.95 0.00 1.84 1.77 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.51 7.81 6 K 8.07 4.00 0.00 1.86 1.62 0.00 1.61 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.48 7.81 7 V 8.19 3.66 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 0.95 0.00 0.00 1.06 0.00 0.00 8 I 7.62 3.80 2.01 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 1.52 0.70 0.90 0.00 0.00 9 Q 8.00 3.96 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 10 H 8.63 4.11 0.00 3.39 3.32 0.00 5.64 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 11 L 8.38 3.99 0.00 1.78 1.76 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.47 4.35 0.00 2.84 2.86 0.00 0.00 6.74 7.76 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 13 K 7.89 3.95 0.00 1.92 2.06 0.00 1.62 0.00 0.00 1.66 0.00 0.00 3.14 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 I 8.00 3.65 1.99 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 1.67 0.85 0.92 0.00 0.00 15 L 8.18 4.00 0.00 1.82 1.87 0.92 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.95 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 17 N 8.04 4.35 0.00 3.01 2.88 0.00 0.00 6.96 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 18 E 8.45 3.95 0.00 2.07 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 2.53 2.53 0.00 19 L 8.22 3.97 0.00 1.80 1.69 0.90 0.89 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 20 I 7.56 3.62 1.94 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.83 0.89 0.00 0.00 21 A 7.85 3.26 1.02 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 0.00 0.00 22 I 8.04 3.61 1.98 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 1.50 0.64 0.88 0.00 0.00 23 N 7.81 4.42 0.00 2.82 2.83 0.00 0.00 6.75 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 24 Q 8.13 3.80 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.49 2.30 0.00 25 Y 7.99 5.28 0.00 3.07 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 8.38 3.80 0.00 3.40 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.05 3.98 0.00 1.87 1.83 0.88 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.40 3.81 0.00 3.53 2.95 0.00 5.69 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.38 4.34 0.00 4.01 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 30 R 7.77 3.98 0.00 2.11 1.88 0.00 3.00 0.00 0.00 2.73 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 31 M 7.83 3.45 0.00 0.77 1.57 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.16 0.00 32 W 7.75 4.65 0.00 3.73 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 33 N 8.44 4.41 0.00 2.74 2.86 0.00 0.00 6.67 7.67 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 34 D 7.57 4.32 0.00 2.62 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 35 W 7.95 4.85 0.00 3.79 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.12 4.10 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 0.00 0.00 0.00 37 L 8.16 4.77 0.00 2.10 1.61 1.22 0.76 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 38 K 8.60 4.13 0.00 2.01 1.86 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.48 7.81 39 R 7.91 3.91 0.00 2.05 1.92 0.00 2.94 0.00 0.00 2.91 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 40 L 7.70 3.81 0.00 1.28 0.24 0.33 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.18 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 42 A 8.19 4.00 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 43 H 8.11 4.07 0.00 3.32 3.34 0.00 5.78 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.43 4.00 0.00 2.51 2.27 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 2.75 2.67 0.00 45 Y 8.15 3.99 0.00 3.03 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 46 H 8.08 4.09 0.00 3.34 3.21 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.93 3.88 0.00 1.98 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 2.23 2.15 0.00 48 S 8.37 4.25 0.00 4.07 4.06 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 0.00 0.00 0.00 49 I 7.50 3.59 1.81 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.03 0.84 0.00 0.00 50 D 8.08 4.31 0.00 2.81 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 7.97 4.18 0.00 2.11 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 2.68 2.66 0.00 52 M 8.08 4.02 0.00 2.03 2.25 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 2.84 2.56 0.00 53 K 7.86 4.03 0.00 1.85 1.82 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.59 7.81 54 H 8.03 4.22 0.00 3.49 3.35 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 55 A 8.19 3.97 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 56 D 8.10 4.32 0.00 2.94 2.89 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 57 K 8.08 3.96 0.00 2.05 1.87 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.69 7.81 58 L 8.11 3.98 0.00 1.93 1.73 0.97 0.67 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 59 I 8.15 3.70 2.05 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 1.53 1.09 0.92 0.00 0.00 60 E 8.39 4.00 0.00 2.17 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 2.35 2.44 0.00 61 R 7.98 3.99 0.00 2.12 2.16 0.00 3.37 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 62 I 8.07 3.71 2.05 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 1.54 0.61 0.95 0.00 0.00 63 L 7.97 3.96 0.00 2.10 1.80 0.93 0.90 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 64 F 8.27 4.29 0.00 2.97 3.36 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 65 L 8.02 3.76 0.00 1.78 1.62 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.98 3.72 0.00 2.02 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 2.17 2.18 0.00 67 G 7.94 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 0.00 0.00 0.00 68 L 8.08 4.54 0.00 1.60 1.60 0.91 0.97 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 69 P 0.00 4.27 0.00 2.04 2.01 0.00 3.66 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 70 N 10.19 4.63 0.00 2.48 2.85 0.00 0.00 7.17 7.66 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 71 L 8.31 4.58 0.00 1.62 1.63 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.34 4.12 0.00 1.99 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.53 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 73 D 8.09 4.63 0.00 2.68 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.29 4.52 0.00 1.53 1.53 0.88 1.07 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 75 G 8.32 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.38 4.18 0.00 1.70 1.74 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.51 7.81 77 L 8.41 4.04 0.00 1.63 1.56 0.88 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.63 4.42 0.00 1.80 1.68 0.96 0.72 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 79 I 8.01 4.32 1.88 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.80 0.91 0.00 0.00 80 G 8.71 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 81 E 8.63 4.75 0.00 2.01 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 2.28 2.24 0.00 82 N 7.76 4.92 0.00 2.86 2.80 0.00 0.00 6.21 7.22 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 83 T 8.72 4.48 4.44 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 1.49 0.00 0.00 84 Q 8.18 3.97 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.92 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 85 E 8.59 3.98 0.00 2.24 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 2.34 2.36 0.00 86 M 8.26 3.89 0.00 1.37 2.24 0.00 0.00 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.08 0.00 87 L 8.26 4.15 0.00 1.88 1.72 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.27 3.97 0.00 2.27 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 89 C 8.89 4.11 0.00 3.30 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 90 D 8.33 4.68 0.00 3.08 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.01 4.01 0.00 1.89 1.89 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.59 4.33 0.00 2.90 2.88 0.00 0.00 6.66 6.29 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 93 L 8.13 4.02 0.00 1.94 1.97 0.92 0.74 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 94 E 8.20 4.11 0.00 2.24 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 2.68 2.53 0.00 95 L 8.26 3.99 0.00 1.90 1.74 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.21 4.05 0.00 1.90 2.02 0.00 1.53 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.51 7.81 97 A 7.98 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 98 T 8.25 3.81 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 1.27 0.00 0.00 99 K 7.97 3.91 0.00 1.87 1.98 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.51 7.81 100 D 7.81 4.43 0.00 2.91 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 0.00 101 L 8.16 4.01 0.00 1.94 1.73 0.93 0.84 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 0.00 102 R 8.10 3.99 0.00 2.03 1.98 0.00 3.14 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 103 E 8.12 3.97 0.00 2.02 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 2.35 2.34 0.00 104 A 8.00 3.68 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 0.00 105 I 7.86 3.70 2.01 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 1.41 0.73 0.92 0.00 0.00 106 V 7.55 3.52 2.27 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 1.00 0.00 0.00 0.96 0.00 0.00 107 H 8.07 4.02 0.00 3.28 3.17 0.00 5.84 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 0.00 108 C 8.12 4.03 0.00 3.14 3.06 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 0.00 0.00 0.00 109 E 8.17 3.97 0.00 2.13 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 0.00 2.36 2.41 0.00 110 Q 7.97 3.98 0.00 2.06 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 111 V 7.29 3.97 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 0.67 0.00 0.00 0.90 0.00 0.00 112 H 7.28 3.07 0.00 3.16 3.30 0.00 5.66 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.88 4.53 0.00 2.57 2.48 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 0.00 0.00 0.00 114 Y 7.80 4.29 0.00 3.09 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.83 3.65 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 1.16 0.00 0.00 0.99 0.00 0.00 116 S 8.52 4.15 0.00 4.21 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 0.00 117 R 8.02 3.92 0.00 2.01 2.19 0.00 3.27 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 118 D 8.21 4.30 0.00 2.98 2.78 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 0.00 0.00 0.00 0.00 119 L 8.07 3.94 0.00 1.95 1.83 0.94 0.55 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 0.00 120 L 7.92 4.03 0.00 1.91 1.71 0.92 1.10 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 0.00 121 K 8.22 3.95 0.00 1.96 2.02 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.64 7.81 122 D 8.10 4.33 0.00 2.95 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 I 7.71 3.47 2.00 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 1.24 0.80 0.79 0.00 0.00 124 L 8.16 3.93 0.00 1.82 1.87 0.94 1.07 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 0.00 125 E 8.31 3.96 0.00 2.10 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 2.33 2.34 0.00 126 S 7.94 4.14 0.00 4.04 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 0.00 127 E 8.39 4.10 0.00 2.08 2.40 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 2.66 2.54 0.00 128 E 8.47 4.01 0.00 2.04 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 2.36 2.53 0.00 129 E 8.15 4.01 0.00 2.29 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 2.37 2.36 0.00 130 H 8.27 4.38 0.00 3.30 3.53 0.00 5.62 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 0.00 131 I 8.05 3.66 2.07 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 1.43 0.46 0.94 0.00 0.00 132 D 8.30 4.35 0.00 2.95 2.92 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 Y 8.02 4.13 0.00 3.21 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 0.00 134 L 8.18 3.59 0.00 1.96 1.62 0.95 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.65 3.93 0.00 2.02 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 0.00 2.29 2.40 0.00 136 T 7.89 3.80 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 1.21 0.00 0.00 137 Q 7.75 3.82 0.00 1.87 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 1.43 2.01 0.00 138 L 7.73 3.83 0.00 1.89 1.61 0.81 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.01 3.79 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 0.00 0.00 0.00 140 L 8.54 4.01 0.00 1.87 1.95 1.06 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.39 3.51 1.82 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 -0.16 0.79 0.00 0.00 142 Q 7.45 3.98 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.98 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 143 K 7.84 4.12 0.00 1.75 1.86 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.71 7.81 144 V 8.21 3.98 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 0.77 0.00 0.00 1.18 0.00 0.00 145 G 7.70 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 0.00 146 L 8.49 3.97 0.00 1.75 1.68 0.92 0.94 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 0.00 147 E 8.14 4.11 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 148 N 8.10 4.34 0.00 3.07 2.89 0.00 0.00 6.79 7.48 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 0.00 149 Y 7.93 3.99 0.00 3.04 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 0.00 150 L 8.13 4.10 0.00 1.77 1.74 0.95 0.78 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 0.00 151 Q 8.06 3.92 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 152 S 8.13 4.28 0.00 3.86 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 H 8.12 4.70 0.00 2.99 3.03 0.00 5.81 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 7.85 4.13 0.00 1.95 1.81 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.44 0.00 155 H 7.45 5.08 0.00 3.11 3.18 0.00 5.72 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 0.00 156 E 8.58 4.14 0.00 1.95 1.85 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 2.31 2.30 0.00