NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 K 4.4492 8.3144 120.1549 56.0198 34.3821 175.5748 12 R 4.2351 7.9004 118.2451 54.8757 31.1403 173.4071 13 Q 5.2457 9.1481 123.3756 54.3989 30.9797 175.2180 14 V 4.4966 8.2426 115.8336 59.6142 35.7767 176.1521 15 A 4.3203 8.8216 126.8083 54.5611 19.5517 177.5506 16 S 4.5959 8.0873 110.2601 58.4873 63.2671 173.7570 17 G 4.2966 8.7808 113.3313 45.4436 0.0000 170.6575 18 R 5.0843 8.5192 117.8744 55.1029 34.0746 173.7735 19 A 5.0402 8.8201 128.8726 50.5329 21.3244 174.6486 20 Y 5.0518 9.1720 121.2638 57.0598 40.2735 175.0747 21 I 4.9680 8.7345 123.7994 59.8621 41.1289 174.0776 22 H 5.1109 9.6913 126.8000 54.2559 31.3759 171.6047 23 A 4.7148 8.7653 127.1881 50.3825 18.4865 176.1350 24 S 4.6650 8.3836 119.8423 57.9547 64.7736 173.2588 25 Y 4.4995 8.7452 114.2287 58.7813 39.5762 176.2689 26 N 4.6824 8.0792 114.4433 53.1135 39.5800 173.5044 27 N 4.3531 7.5306 115.6025 54.1281 41.7184 172.4683 28 T 5.1839 7.6986 114.9623 62.4902 73.0119 173.3736 29 I 4.8249 8.7684 119.7572 59.4523 41.2096 174.8748 30 V 5.1232 9.1569 115.4564 60.3487 36.5151 174.1995 31 T 5.1861 9.2890 118.6072 60.7262 71.0493 172.8719 32 I 4.8413 9.1582 129.4095 61.1944 39.5209 174.5917 33 T 5.0610 8.6132 117.8532 60.9749 71.4890 172.9038 34 D 4.9654 8.5677 126.2896 52.2730 40.1741 175.5669 35 P 4.4005 0.0000 0.0000 65.4279 31.4115 178.1407 36 D 4.4471 7.7743 116.8704 56.6764 40.8085 177.7021 37 G 4.5442 7.7979 117.9487 46.1986 0.0000 172.4749 38 N 4.5284 7.7850 120.0082 51.9982 39.1877 173.2317 39 P 4.9822 0.0000 0.0000 63.2005 32.2144 175.8075 40 I 4.3942 8.2754 117.7638 63.1573 40.5914 176.1356 41 T 4.6238 7.4968 115.0156 62.4534 72.7948 172.5660 42 W 5.6361 7.7255 120.2650 55.5512 32.1585 173.1209 43 S 4.6254 9.2082 113.5889 58.5888 66.4539 174.4052 44 S 4.9175 7.3669 114.9561 57.4514 65.4335 176.6015 45 G 3.8441 8.6913 106.3067 48.4197 0.0000 176.2043 46 G 3.7433 8.1411 106.7138 47.0603 0.0000 175.3871 47 V 3.7698 7.0982 119.7934 66.0348 31.5879 177.9574 48 I 3.8465 7.3864 117.6474 64.4201 38.4207 175.0542 49 G 3.0002 6.0225 109.5081 44.9392 0.0000 170.6976 50 Y 5.1528 7.0731 119.9080 56.9601 43.0230 174.8115 51 K 4.6464 8.2796 118.5949 55.8840 37.3609 177.4672 52 G 4.0021 9.3843 113.8661 46.6326 0.0000 176.0206 53 S 4.1530 9.1879 121.5667 61.2849 63.2723 175.7641 54 R 3.7104 8.0318 121.7833 58.9561 29.4488 179.1304 55 K 4.2313 7.7627 118.0429 59.2738 32.2035 179.2511 56 G 3.7573 7.6598 104.2035 45.7481 0.0000 174.1151 57 T 4.0050 7.1207 119.7343 62.9824 69.1291 173.6814 58 P 4.3236 0.0000 0.0000 66.0240 31.2542 178.2859 59 Y 4.1139 8.0622 118.8851 60.4063 38.8164 177.4136 60 A 3.8917 8.0740 121.1104 55.1672 18.5027 179.2719 61 A 4.0681 8.0797 119.2609 55.1021 18.4951 179.6128 62 Q 3.8614 8.1464 118.3408 59.3883 29.0866 178.6571 63 L 3.8379 7.7747 119.7726 57.7273 41.5662 179.3504 64 A 3.9351 8.4967 120.8117 55.0628 18.3817 179.4946 65 A 3.9387 8.2885 119.5709 55.3999 18.4749 179.9411 66 L 3.9716 7.8074 117.0837 57.8195 41.6890 179.2420 67 D 4.2795 8.4829 118.3022 57.2391 40.9959 178.1652 68 A 3.9687 8.4007 121.4465 54.9068 18.2347 179.3738 69 A 4.0013 7.8348 118.9570 54.5606 18.3823 179.5313 70 K 3.7819 8.1442 117.9780 59.9827 32.0906 178.8955 71 K 4.1937 8.0699 117.9108 58.7293 32.0934 179.4390 72 A 4.0417 7.6267 121.4538 55.5370 18.4018 179.6341 73 M 4.2351 8.4036 116.7393 57.9048 31.6680 178.8771 74 A 4.0444 7.4056 119.7959 55.1943 18.8728 178.0495 75 Y 4.1246 8.2080 113.4116 58.0771 37.7406 176.0205 76 G 3.9216 7.8569 106.2396 46.7855 0.0000 173.9179 77 M 4.6064 7.6555 115.7343 54.0504 34.3339 173.5649 78 Q 4.5710 8.5382 121.3946 56.8861 34.5690 175.3399 79 S 5.5222 8.5609 119.8003 57.7822 63.1495 174.6384 80 V 4.2106 7.8830 121.4439 61.8348 33.6951 174.7711 81 D 4.7609 8.7949 124.6771 52.6465 42.1517 175.9227 82 V 4.1669 8.2110 124.8409 62.7588 33.2349 175.3329 83 I 4.9786 9.1517 128.7058 60.2927 40.9704 175.0262 84 V 4.6903 9.0848 121.3953 60.7082 33.9746 175.4972 85 R 4.7901 8.9664 119.8563 55.9967 34.8967 172.4576 86 G 4.0550 8.4889 116.0995 45.5492 0.0000 174.3551 87 T 4.2149 8.3348 119.8440 61.8306 67.6414 174.2265 88 G 3.7914 8.0532 113.6824 41.9674 0.0000 171.0003 89 A 4.5514 8.0787 122.1929 50.6762 17.4967 178.3104 90 G 3.9965 7.4952 107.2310 44.6878 0.0000 174.5801 91 R 3.7941 7.3418 120.6536 59.9811 29.8090 178.0832 92 E 3.9868 8.0082 116.5300 59.6100 29.7904 179.1441 93 Q 3.9856 7.9274 118.7822 58.6563 28.5114 178.4531 94 A 4.0361 7.8586 121.1632 54.9958 18.7278 179.6071 95 I 3.8097 7.4663 118.4284 64.6327 37.4014 178.7474 96 R 3.9139 8.6223 118.9917 59.3917 29.9401 178.9932 97 A 4.0549 8.1115 120.3166 55.1863 17.8326 179.7119 98 L 4.1455 7.6634 118.4478 57.2436 41.7170 179.7203 99 Q 3.8303 7.9205 117.5045 59.0236 28.6052 178.4223 100 A 4.1547 7.7521 119.9712 54.6163 18.6042 179.4570 101 S 4.2180 8.0861 113.3544 59.7137 63.2013 175.1182 102 G 4.0230 8.2171 109.4507 45.9633 0.0000 173.6136 103 L 4.5999 7.1957 117.2210 52.2914 45.0749 177.2081 104 Q 4.0792 8.1836 124.8509 56.1135 28.9331 174.8835 105 V 4.1697 8.2160 118.9473 61.0988 30.7773 175.4897 106 K 4.0512 8.5579 128.9726 59.4384 32.7760 176.6018 107 S 4.6516 7.2676 111.2028 57.8818 65.6717 175.7970 108 I 4.7531 8.4943 121.4808 59.7678 39.2164 175.1783 109 V 4.4877 8.7898 127.4578 60.9637 34.8235 173.6586 110 D 5.3025 8.5746 123.8570 51.9562 43.5496 174.9843 111 D 5.0131 8.9115 128.1785 53.7012 41.3466 175.9916 112 T 4.0384 8.1086 114.4855 62.8775 69.2008 173.3835 113 P 4.2188 0.0000 0.0000 62.8297 31.5636 176.2085 114 V 4.2883 8.0810 122.4801 58.9085 33.2712 173.3218 115 P 4.3756 0.0000 0.0000 62.5969 32.2473 175.9896 116 H 4.5282 8.2566 117.1346 56.3005 28.5261 174.9555 117 N 4.0963 8.2340 120.0647 53.8976 36.1479 172.0365 118 G 3.9548 7.8524 108.0172 46.2042 0.0000 169.7622 119 C 4.2286 7.7637 121.1550 57.6547 32.5358 173.2228 120 R 4.2011 8.3070 126.7700 54.4522 29.4698 174.2815 121 P 4.4612 0.0000 0.0000 61.7811 31.0740 176.0796 122 K 4.2406 8.2668 118.0982 56.3280 32.4635 178.3844 123 K 4.1495 8.5074 121.2997 59.3746 32.4239 178.3698 124 K 4.0335 7.8244 117.8185 59.5725 32.1221 178.5051 125 F 4.1025 8.2870 113.6950 58.5470 38.8008 176.0805 126 R 4.2149 7.4350 121.6416 56.0297 28.2269 175.1695 127 K 4.3865 8.2723 123.0128 56.6174 34.7340 177.4385 128 A 4.0712 7.9243 121.5358 52.4846 18.7750 177.0486 129 S 4.1846 8.4324 116.4984 58.9178 62.2643 174.4417 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 11 K 8.31 4.45 0.00 1.82 2.01 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.49 7.81 12 R 7.90 4.24 0.00 1.89 1.86 0.00 3.25 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 13 Q 9.15 5.25 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.47 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 14 V 8.24 4.50 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.04 0.00 0.00 15 A 8.82 4.32 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 16 S 8.09 4.60 0.00 3.90 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 17 G 8.78 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 0.00 0.00 0.00 18 R 8.52 5.08 0.00 1.82 1.88 0.00 2.77 0.00 0.00 3.05 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.54 0.00 19 A 8.82 5.04 1.19 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 0.00 0.00 20 Y 9.17 5.05 0.00 3.08 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 21 I 8.73 4.97 1.90 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 1.13 0.67 0.98 0.00 0.00 22 H 9.69 5.11 0.00 3.17 3.18 0.00 5.77 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 23 A 8.77 4.71 1.21 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 0.00 0.00 24 S 8.38 4.66 0.00 3.92 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 25 Y 8.75 4.50 0.00 2.97 3.02 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 26 N 8.08 4.68 0.00 2.77 2.92 0.00 0.00 6.71 8.00 0.00 0.00 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 N 7.53 4.35 0.00 2.81 2.70 0.00 0.00 6.98 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 28 T 7.70 5.18 4.25 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 1.24 0.00 0.00 29 I 8.77 4.82 1.96 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 1.22 0.79 0.96 0.00 0.00 30 V 9.16 5.12 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 0.73 0.00 0.00 0.99 0.00 0.00 31 T 9.29 5.19 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 32 I 9.16 4.84 1.86 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 1.27 0.96 0.94 0.00 0.00 33 T 8.61 5.06 4.36 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 1.52 0.00 0.00 34 D 8.57 4.97 0.00 2.94 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 35 P 0.00 4.40 0.00 2.07 2.17 0.00 3.69 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 36 D 7.77 4.45 0.00 3.04 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 37 G 7.80 4.54 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 0.00 38 N 7.78 4.53 0.00 2.81 2.76 0.00 0.00 7.14 8.03 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 39 P 0.00 4.98 0.00 2.07 2.04 0.00 3.62 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 2.01 2.09 0.00 40 I 8.28 4.39 1.71 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 1.19 0.81 0.35 0.00 0.00 41 T 7.50 4.62 4.14 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 1.04 0.00 0.00 42 W 7.73 5.64 0.00 3.46 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 43 S 9.21 4.63 0.00 3.74 3.80 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 44 S 7.37 4.92 0.00 4.18 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 45 G 8.69 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 46 G 8.14 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.10 3.77 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 0.67 0.00 0.00 1.08 0.00 0.00 48 I 7.39 3.85 1.85 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 1.66 0.86 0.71 0.00 0.00 49 G 6.02 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 0.00 0.00 0.00 50 Y 7.07 5.15 0.00 3.10 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 51 K 8.28 4.65 0.00 1.82 1.70 0.00 1.87 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.51 7.81 52 G 9.38 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 53 S 9.19 4.15 0.00 4.06 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 0.00 54 R 8.03 3.71 0.00 1.89 1.39 0.00 3.18 0.00 0.00 3.05 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.85 0.00 55 K 7.76 4.23 0.00 2.12 2.19 0.00 1.96 0.00 0.00 1.83 0.00 0.00 3.28 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.57 1.57 7.81 56 G 7.66 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 57 T 7.12 4.00 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 1.31 0.00 0.00 58 P 0.00 4.32 0.00 2.30 2.47 0.00 3.72 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 2.12 2.04 0.00 59 Y 8.06 4.11 0.00 3.07 3.03 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 60 A 8.07 3.89 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.08 4.07 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 62 Q 8.15 3.86 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 63 L 7.77 3.84 0.00 1.69 1.55 0.68 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.50 3.94 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 65 A 8.29 3.94 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 66 L 7.81 3.97 0.00 1.85 1.71 0.91 0.77 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 67 D 8.48 4.28 0.00 2.71 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 68 A 8.40 3.97 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 69 A 7.83 4.00 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 70 K 8.14 3.78 0.00 1.80 1.99 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.53 7.81 71 K 8.07 4.19 0.00 1.84 1.87 0.00 1.57 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.54 7.81 72 A 7.63 4.04 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 73 M 8.40 4.24 0.00 2.08 2.15 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 2.73 2.74 0.00 74 A 7.41 4.04 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 75 Y 8.21 4.12 0.00 3.24 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 76 G 7.86 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 77 M 7.66 4.61 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.58 0.00 78 Q 8.54 4.57 0.00 2.16 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.84 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 79 S 8.56 5.52 0.00 3.89 4.02 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 80 V 7.88 4.21 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 0.69 0.00 0.00 0.91 0.00 0.00 81 D 8.79 4.76 0.00 2.47 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 82 V 8.21 4.17 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 0.91 0.00 0.00 0.90 0.00 0.00 83 I 9.15 4.98 1.42 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.54 0.97 0.00 0.00 84 V 9.08 4.69 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 0.74 0.00 0.00 0.98 0.00 0.00 85 R 8.97 4.79 0.00 1.93 1.80 0.00 3.30 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 86 G 8.49 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 T 8.33 4.21 4.29 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 1.21 0.00 0.00 88 G 8.05 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 89 A 8.08 4.55 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 G 7.50 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 91 R 7.34 3.79 0.00 1.81 1.86 0.00 3.09 0.00 0.00 3.21 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 92 E 8.01 3.99 0.00 2.28 2.20 0.00 0.00 0.00 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 2.46 0.00 93 Q 7.93 3.99 0.00 2.07 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 94 A 7.86 4.04 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 95 I 7.47 3.81 2.01 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 1.51 1.15 0.90 0.00 0.00 96 R 8.62 3.91 0.00 1.78 1.99 0.00 3.30 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.81 0.00 97 A 8.11 4.05 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 98 L 7.66 4.15 0.00 1.90 1.72 0.94 0.96 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 99 Q 7.92 3.83 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.69 2.37 0.00 100 A 7.75 4.15 1.32 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 0.00 0.00 0.00 101 S 8.09 4.22 0.00 4.07 4.31 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 0.00 102 G 8.22 4.02 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 0.00 103 L 7.20 4.60 0.00 1.51 1.68 0.99 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 104 Q 8.18 4.08 0.00 2.25 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.98 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 105 V 8.22 4.17 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 0.73 0.00 0.00 0.96 0.00 0.00 106 K 8.56 4.05 0.00 1.77 1.99 0.00 1.84 0.00 0.00 2.05 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.41 7.81 107 S 7.27 4.65 0.00 3.86 3.87 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 0.00 0.00 0.00 108 I 8.49 4.75 1.86 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 1.21 0.67 0.89 0.00 0.00 109 V 8.79 4.49 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 0.75 0.00 0.00 0.90 0.00 0.00 110 D 8.57 5.30 0.00 2.66 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.91 5.01 0.00 2.70 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 0.00 112 T 8.11 4.04 4.25 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 1.24 0.00 0.00 113 P 0.00 4.22 0.00 2.16 2.07 0.00 3.72 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 1.99 1.97 0.00 114 V 8.08 4.29 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 0.85 0.00 0.00 0.94 0.00 0.00 115 P 0.00 4.38 0.00 2.17 2.04 0.00 3.74 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 1.96 1.95 0.00 116 H 8.26 4.53 0.00 3.18 3.32 0.00 5.85 0.00 0.00 0.00 0.00 8.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 N 8.23 4.10 0.00 2.86 2.85 0.00 0.00 6.95 7.98 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 0.00 118 G 7.85 3.95 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 0.00 0.00 0.00 119 C 7.76 4.23 0.00 2.92 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 0.00 120 R 8.31 4.20 0.00 1.80 1.84 0.00 3.30 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 121 P 0.00 4.46 0.00 2.11 1.93 0.00 3.74 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 122 K 8.27 4.24 0.00 2.03 1.84 0.00 1.83 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.42 7.81 123 K 8.51 4.15 0.00 1.73 1.86 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.38 7.81 124 K 7.82 4.03 0.00 1.78 1.81 0.00 1.13 0.00 0.00 1.32 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.46 7.81 125 F 8.29 4.10 0.00 3.00 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 0.00 126 R 7.43 4.21 0.00 1.99 1.98 0.00 3.22 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 127 K 8.27 4.39 0.00 1.76 1.80 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.30 1.31 7.81 128 A 7.92 4.07 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 0.00 129 S 8.43 4.18 0.00 3.79 3.67 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