NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.6076 8.3133 118.0201 57.0732 42.7723 170.8437 2 E 4.7918 8.5348 119.4825 55.3864 33.3049 170.7483 3 E 4.0164 9.7316 118.7260 56.2842 30.4297 175.7812 4 P 3.8107 0.0000 0.0000 61.2136 32.0153 174.5202 5 P 4.2454 0.0000 0.0000 63.2574 31.7815 176.0754 6 T 4.6651 7.8107 110.3010 60.2052 70.8404 173.3827 7 F 4.7042 8.1303 120.0586 55.7855 43.3564 174.8552 8 E 4.0335 9.0125 121.6305 59.2923 29.9462 177.3784 9 A 3.0461 8.0078 120.2759 53.7720 19.3991 177.1954 10 M 5.1151 7.6958 110.5910 53.4472 34.3321 174.6454 11 E 4.9726 8.9219 118.0183 54.1472 33.5935 174.5125 12 L 4.1751 8.5713 121.0591 55.0048 43.1706 176.1459 13 I 4.1393 7.9292 125.5563 62.3333 38.0963 176.2373 14 G 3.8369 9.0491 115.1622 44.6860 0.0000 172.9543 15 K 3.8784 8.2548 120.0193 54.0381 31.7377 173.6507 16 P 4.5874 0.0000 0.0000 61.2392 31.2079 176.5845 17 K 4.1419 8.5543 124.0061 55.4073 32.5149 176.2491 18 P 4.4310 0.0000 0.0000 65.0806 31.6624 176.2603 19 Y 4.9819 7.4052 118.4562 55.7413 41.2454 173.8611 20 Y 4.6291 8.2656 123.9547 56.4087 40.6757 174.8772 21 E 4.3186 9.8514 124.2695 54.3161 32.4369 175.3415 22 I 3.8483 7.9879 123.8519 62.6971 37.3618 177.0324 23 G 3.9808 8.9304 114.8463 45.0533 0.0000 173.3939 24 E 4.2185 7.9121 120.5026 56.3930 30.4270 176.2137 25 R 4.9688 8.6131 124.2920 55.2311 32.3544 175.4087 26 V 4.3126 8.4418 123.2207 61.1752 35.0404 173.8749 27 D 5.2752 8.3778 126.2161 52.7824 43.9109 174.6700 28 Y 5.2031 8.5325 118.6712 56.0404 41.2907 175.1814 29 K 4.7102 8.6576 119.5893 54.9903 36.3500 175.0929 30 C 4.7559 8.7541 118.9368 57.0403 41.8477 173.8239 31 K 4.4146 9.3224 122.4480 55.4278 33.4743 176.5477 32 K 3.9532 8.6316 122.8527 58.4856 32.3033 176.2958 33 G 3.9193 9.1938 114.1494 45.1017 0.0000 172.3170 34 Y 5.4279 8.0978 116.3227 56.2330 40.7765 175.2779 35 F 5.2422 9.3106 115.5798 55.4314 41.8518 172.9664 36 Y 4.9684 8.8108 121.3048 56.8728 40.0529 174.6162 37 I 4.2715 7.5513 125.9067 58.5218 40.3534 173.8913 38 P 4.2076 0.0000 0.0000 62.3746 31.7519 173.9410 39 P 4.9153 0.0000 0.0000 62.4090 31.4864 175.3157 40 L 4.0975 7.8253 117.7425 55.1965 42.0993 176.9126 41 A 4.2733 8.2718 123.3629 52.9708 19.1154 177.4463 42 T 4.8252 8.0716 115.9358 61.1827 67.7772 172.3548 43 H 5.2039 8.0381 112.8975 55.2570 31.6407 172.0958 44 T 4.7364 8.4180 113.0198 60.9802 71.6589 172.1617 45 I 5.3171 8.2464 122.8889 59.7171 41.5476 175.6299 46 C 4.0738 8.8297 126.9739 56.3739 42.5928 173.1230 47 D 4.8148 8.3492 126.8302 52.4393 39.9736 177.4173 48 R 4.0462 8.4749 117.8360 59.0950 30.8229 178.1465 49 N 4.9119 7.3745 121.9643 54.0469 38.3693 175.1608 50 H 4.7449 9.0928 108.6668 55.9226 30.0856 172.6761 51 T 4.5557 7.7313 114.3438 61.3030 72.1042 173.4995 52 W 4.8471 8.3012 121.9664 55.6815 30.5143 176.5469 53 L 4.3659 8.3413 122.4225 54.0079 42.0207 175.3006 54 P 4.6243 0.0000 0.0000 63.0649 32.0567 176.7982 55 V 4.1443 7.6363 117.5495 61.3678 33.1268 171.5280 56 S 4.8940 8.3856 116.8965 56.7062 66.3256 172.5776 57 D 4.4655 8.1748 117.8358 53.4837 39.6400 178.4677 58 D 4.1231 7.8846 121.6540 57.8079 41.2416 177.6535 59 A 3.9600 7.7767 120.3854 53.8732 19.5197 177.5439 60 C 5.1447 7.3710 112.8684 55.5143 42.7123 173.3094 61 Y 4.8875 8.5255 120.9017 55.8941 41.2649 175.2018 62 R 4.5519 8.7728 119.4039 55.9060 31.4102 176.8568 63 E 4.3145 8.9720 122.5989 57.0032 30.5396 176.1956 64 T 5.0450 8.2798 113.5183 60.4255 71.1249 174.8700 65 C 4.7349 9.0828 121.3352 55.3421 41.4750 172.1234 66 P 4.6449 0.0000 0.0000 62.5186 31.6476 176.1154 67 Y 4.5216 8.6235 121.7703 57.9214 39.3027 175.6073 68 I 4.1619 7.8916 125.9228 59.0853 39.3177 175.8347 69 R 3.8495 7.8885 124.7047 55.4094 30.6416 176.5797 70 D 4.4465 8.5860 120.9175 54.0950 41.4393 175.1763 71 P 4.2869 0.0000 0.0000 62.1431 32.0352 175.5725 72 L 3.9846 8.2638 122.9665 56.7607 42.1011 176.3915 73 N 4.0035 8.9428 120.6761 53.8539 36.6046 173.2893 74 G 4.3728 7.7047 106.8516 46.1030 0.0000 172.5525 75 Q 4.6034 8.1771 117.5409 55.4957 33.4521 174.0087 76 A 4.5530 9.0317 129.3910 50.4448 20.2708 175.4508 77 V 4.3302 7.8534 115.2568 59.6262 34.1039 174.5809 78 P 4.5231 0.0000 0.0000 62.6639 31.6157 176.3516 79 A 3.8481 8.8249 124.6722 55.1421 18.8461 177.7853 80 N 4.5871 8.4622 108.5742 52.7083 41.5286 176.2173 81 G 3.8881 7.6283 111.0471 44.3304 0.0000 174.8815 82 T 4.2853 8.0814 116.1432 63.5726 67.2590 175.0085 83 Y 3.7712 8.6509 115.0494 58.7429 35.4390 169.5829 84 E 4.4627 8.1133 119.8023 55.9322 30.2200 176.6144 85 F 4.3382 8.1983 117.6868 58.1927 38.5541 174.0786 86 G 3.7644 9.0741 112.5506 45.6470 0.0000 173.6788 87 Y 4.8961 7.3617 116.5544 56.4607 40.7898 174.8895 88 Q 5.3673 8.6990 118.3716 54.7643 33.0506 173.2634 89 M 4.8027 9.0406 117.9364 53.9876 35.2843 173.5678 90 H 5.3079 8.8923 125.8039 54.4868 32.6670 173.0242 91 F 5.3292 8.6516 123.4891 55.4999 41.2058 174.7414 92 I 4.6761 8.6554 116.5353 59.3041 40.5909 173.5791 93 C 4.9150 8.7254 122.3991 55.2828 40.8899 173.9135 94 N 4.4679 8.1509 119.9756 52.8961 38.8303 173.6299 95 E 4.1207 8.6186 119.8625 57.8501 30.0653 176.8875 96 G 3.8958 9.1256 113.0500 46.1414 0.0000 172.2730 97 Y 5.2850 7.7409 114.6746 56.2595 42.2383 174.3722 98 Y 4.9981 8.9533 118.6665 55.2454 41.7695 174.2911 99 L 4.7294 8.6873 123.5356 54.6700 43.6099 175.7770 100 I 4.1895 8.4256 118.1878 60.6145 40.0174 173.2186 101 G 3.6380 8.8029 116.5644 46.0007 0.0000 167.6871 102 E 3.5363 8.1679 126.1498 56.3896 25.8907 174.5682 103 E 4.3134 8.2049 119.2160 57.0183 31.1114 176.2648 104 I 5.2098 7.3615 120.7296 59.8323 41.2449 174.5439 105 L 4.6807 8.8089 125.8160 53.1025 45.0671 175.3498 106 Y 5.0898 8.7955 121.2143 57.7032 40.1526 174.2561 107 C 4.4136 8.8865 124.2675 55.3881 44.6609 172.2924 108 E 4.8611 8.7286 124.1104 54.5795 31.9638 174.6279 109 L 4.4893 8.2305 123.9380 53.6559 42.9686 176.1299 110 K 4.3602 8.7490 127.2226 55.6443 34.3127 178.0125 111 G 3.9129 8.6672 117.9444 46.5488 0.0000 173.7968 112 S 4.5506 9.0452 119.6510 57.7180 64.5131 173.5488 113 V 4.2141 7.3127 120.5120 60.6807 33.3379 173.6757 114 A 5.0685 8.2915 128.1184 50.5707 20.3734 176.1543 115 I 4.5780 8.3997 115.3033 58.7786 42.1967 174.2182 116 W 5.2634 8.5248 121.9596 55.4624 30.7459 176.9486 117 S 4.6899 9.4687 119.4148 57.2678 62.7877 174.2652 118 G 4.1617 7.3293 108.9976 47.0161 0.0000 172.5940 119 K 4.3376 8.0770 121.5740 54.2771 33.0322 174.6734 120 P 3.6760 0.0000 0.0000 62.5005 31.6766 174.2773 121 P 4.3593 0.0000 0.0000 62.3360 32.7471 175.2102 122 I 4.3535 7.8304 120.9972 59.9454 39.9774 174.7926 123 C 5.0566 8.5345 122.7854 55.5523 41.7753 172.9515 124 E 4.6386 8.9725 128.3567 55.1750 31.2581 177.3875 125 K 3.4919 8.7679 123.9990 53.9658 32.3708 178.2984 126 V 3.7565 8.0668 122.8854 64.4141 32.3452 171.6357 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 C 8.31 4.61 0.00 2.30 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 2 E 8.53 4.79 0.00 2.14 1.99 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 2.34 2.51 0.00 3 E 9.73 4.02 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 2.40 2.58 0.00 4 P 0.00 3.81 0.00 1.66 0.77 0.00 3.72 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.18 0.00 5 P 0.00 4.25 0.00 1.92 1.73 0.00 3.36 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 6 T 7.81 4.67 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 7 F 8.13 4.70 0.00 2.91 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 8 E 9.01 4.03 0.00 1.90 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 2.20 2.31 0.00 9 A 8.01 3.05 0.75 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 10 M 7.70 5.12 0.00 1.77 2.01 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.87 0.00 11 E 8.92 4.97 0.00 2.06 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 0.00 2.20 2.24 0.00 12 L 8.57 4.18 0.00 1.61 1.57 0.44 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 13 I 7.93 4.14 1.76 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 1.10 0.72 0.86 0.00 0.00 14 G 9.05 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 15 K 8.25 3.88 0.00 1.79 1.65 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.36 1.04 7.81 16 P 0.00 4.59 0.00 2.09 2.13 0.00 3.67 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 2.06 2.13 0.00 17 K 8.55 4.14 0.00 0.79 1.28 0.00 1.64 0.00 0.00 1.44 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.26 7.81 18 P 0.00 4.43 0.00 2.08 2.14 0.00 3.58 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 19 Y 7.41 4.98 0.00 2.90 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 20 Y 8.27 4.63 0.00 2.74 2.80 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 0.00 0.00 0.00 21 E 9.85 4.32 0.00 2.05 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 2.29 2.32 0.00 22 I 7.99 3.85 1.84 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 1.18 0.56 0.94 0.00 0.00 23 G 8.93 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 24 E 7.91 4.22 0.00 2.32 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 2.42 2.31 0.00 25 R 8.61 4.97 0.00 1.87 1.83 0.00 3.15 0.00 0.00 3.12 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 26 V 8.44 4.31 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 0.11 0.00 0.00 0.29 0.00 0.00 27 D 8.38 5.28 0.00 2.55 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 0.00 0.00 0.00 28 Y 8.53 5.20 0.00 2.60 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 29 K 8.66 4.71 0.00 1.77 1.82 0.00 1.31 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.40 7.81 30 C 8.75 4.76 0.00 3.00 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 31 K 9.32 4.41 0.00 1.86 1.84 0.00 1.90 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.67 1.46 7.81 32 K 8.63 3.95 0.00 1.74 1.79 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.46 7.81 33 G 9.19 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 8.10 5.43 0.00 2.97 3.05 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 35 F 9.31 5.24 0.00 3.27 3.28 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 36 Y 8.81 4.97 0.00 2.94 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 37 I 7.55 4.27 2.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.30 0.76 0.00 0.00 38 P 0.00 4.21 0.00 1.98 2.02 0.00 3.47 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 39 P 0.00 4.92 0.00 2.14 2.11 0.00 3.50 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.05 0.00 40 L 7.83 4.10 0.00 1.63 1.63 0.86 0.81 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 41 A 8.27 4.27 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 42 T 8.07 4.83 4.15 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 1.04 0.00 0.00 43 H 8.04 5.20 0.00 3.34 3.16 0.00 5.53 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.42 4.74 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 0.92 0.00 0.00 45 I 8.25 5.32 1.95 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 1.34 0.75 0.95 0.00 0.00 46 C 8.83 4.07 0.00 2.16 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 47 D 8.35 4.81 0.00 2.88 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 48 R 8.47 4.05 0.00 1.81 2.05 0.00 3.20 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 49 N 7.37 4.91 0.00 2.75 2.72 0.00 0.00 6.95 7.77 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 50 H 9.09 4.74 0.00 3.00 3.18 0.00 5.84 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 7.73 4.56 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 52 W 8.30 4.85 0.00 3.18 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 53 L 8.34 4.37 0.00 1.58 1.67 0.95 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.62 0.00 1.95 2.01 0.00 3.75 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 55 V 7.64 4.14 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 0.87 0.00 0.00 0.71 0.00 0.00 56 S 8.39 4.89 0.00 4.02 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 57 D 8.17 4.47 0.00 2.63 2.49 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 58 D 7.88 4.12 0.00 2.54 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 59 A 7.78 3.96 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 60 C 7.37 5.14 0.00 2.79 2.97 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 61 Y 8.53 4.89 0.00 2.60 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 62 R 8.77 4.55 0.00 1.95 1.82 0.00 3.00 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.73 0.00 63 E 8.97 4.31 0.00 1.89 1.83 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 2.53 2.48 0.00 64 T 8.28 5.05 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 1.33 0.00 0.00 65 C 9.08 4.73 0.00 2.21 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 0.00 0.00 0.00 66 P 0.00 4.64 0.00 2.31 2.14 0.00 3.72 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.14 0.00 67 Y 8.62 4.52 0.00 2.77 2.93 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 0.00 0.00 0.00 68 I 7.89 4.16 1.60 0.00 0.00 -0.61 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 1.01 0.75 0.00 0.00 69 R 7.89 3.85 0.00 1.72 1.85 0.00 3.31 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.55 0.00 70 D 8.59 4.45 0.00 2.63 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.29 0.00 2.11 2.03 0.00 3.76 0.00 0.00 3.80 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 72 L 8.26 3.98 0.00 1.52 1.51 0.86 0.96 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 73 N 8.94 4.00 0.00 2.42 1.42 0.00 0.00 6.76 7.88 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 74 G 7.70 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 75 Q 8.18 4.60 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.70 0.00 0.00 0.00 0.00 0.00 2.15 2.36 0.00 76 A 9.03 4.55 0.94 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 0.00 0.00 77 V 7.85 4.33 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 0.71 0.00 0.00 0.88 0.00 0.00 78 P 0.00 4.52 0.00 1.98 1.94 0.00 3.70 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 2.27 2.12 0.00 79 A 8.82 3.85 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 80 N 8.46 4.59 0.00 2.34 2.17 0.00 0.00 6.78 7.65 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 81 G 7.63 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 82 T 8.08 4.29 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 1.20 0.00 0.00 83 Y 8.65 3.77 0.00 3.23 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 84 E 8.11 4.46 0.00 2.25 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 2.52 2.40 0.00 85 F 8.20 4.34 0.00 3.00 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 86 G 9.07 3.76 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 0.00 0.00 0.00 87 Y 7.36 4.90 0.00 2.93 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 88 Q 8.70 5.37 0.00 2.60 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.86 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 89 M 9.04 4.80 0.00 1.51 1.37 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.47 0.00 90 H 8.89 5.31 0.00 3.16 3.13 0.00 5.57 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 91 F 8.65 5.33 0.00 2.74 2.80 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 0.00 0.00 0.00 92 I 8.66 4.68 1.91 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 1.36 0.97 1.00 0.00 0.00 93 C 8.73 4.91 0.00 2.93 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 94 N 8.15 4.47 0.00 2.76 2.82 0.00 0.00 6.45 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 95 E 8.62 4.12 0.00 1.96 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 2.33 2.41 0.00 96 G 9.13 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 0.00 0.00 0.00 97 Y 7.74 5.29 0.00 2.97 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 98 Y 8.95 5.00 0.00 2.98 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 99 L 8.69 4.73 0.00 1.66 1.60 0.85 0.90 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 0.00 100 I 8.43 4.19 1.82 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 1.02 0.79 0.74 0.00 0.00 101 G 8.80 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 0.00 102 E 8.17 3.54 0.00 2.05 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 2.18 2.20 0.00 103 E 8.20 4.31 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 104 I 7.36 5.21 1.86 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.73 0.76 0.00 0.00 105 L 8.81 4.68 0.00 1.47 1.59 0.75 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 106 Y 8.80 5.09 0.00 3.05 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 0.00 107 C 8.89 4.41 0.00 1.75 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 E 8.73 4.86 0.00 2.02 1.83 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 2.29 2.36 0.00 109 L 8.23 4.49 0.00 0.82 1.14 0.61 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.75 4.36 0.00 1.75 1.68 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.31 1.47 7.81 111 G 8.67 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 0.00 112 S 9.05 4.55 0.00 3.81 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 0.00 113 V 7.31 4.21 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 0.92 0.00 0.00 0.89 0.00 0.00 114 A 8.29 5.07 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 I 8.40 4.58 1.89 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 1.18 0.72 0.88 0.00 0.00 116 W 8.52 5.26 0.00 3.37 3.11 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 0.00 0.00 0.00 0.00 117 S 9.47 4.69 0.00 3.96 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 0.00 118 G 7.33 4.16 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 0.00 0.00 0.00 119 K 8.08 4.34 0.00 1.68 1.63 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.39 7.81 120 P 0.00 3.68 0.00 1.87 1.78 0.00 3.62 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.94 0.00 121 P 0.00 4.36 0.00 1.53 1.91 0.00 2.20 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.72 0.00 122 I 7.83 4.35 1.72 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 1.09 1.16 0.79 0.00 0.00 123 C 8.53 5.06 0.00 2.91 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 0.00 124 E 8.97 4.64 0.00 1.49 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 2.19 2.33 0.00 125 K 8.77 3.49 0.00 1.82 1.69 0.00 2.00 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.34 0.99 7.81 126 V 8.07 3.76 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 0.78 0.00 0.00 1.07 0.00 0.00