NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.2565 8.1744 117.3728 63.5847 69.9976 174.0086 4 D 4.4999 8.0086 122.7155 48.7589 42.4076 173.4585 5 P 4.2110 0.0000 0.0000 66.0609 31.5863 177.6466 6 I 3.6313 7.8222 119.0809 63.8267 37.0674 178.1933 7 A 3.9670 8.1676 121.3606 55.0786 18.1621 179.2173 8 D 4.2295 8.1349 116.7495 57.3323 41.1738 178.1233 9 M 3.9313 8.4873 119.2212 58.7736 32.3164 178.2640 10 L 3.9162 7.7376 118.9144 57.9115 41.6421 179.8610 11 T 3.7931 8.0171 115.7477 66.7035 68.5221 176.8655 12 R 3.9190 7.8344 119.9378 59.6474 30.0491 178.8604 13 I 3.6238 8.1020 119.8684 64.1116 37.0963 178.0513 14 R 3.7785 8.1523 119.1491 60.0183 29.7047 178.5343 15 N 4.3281 8.3406 114.8108 56.1065 38.7793 177.0253 16 A 4.1482 7.9911 122.5437 55.2413 18.3801 179.8009 17 T 4.5595 7.8307 109.7839 64.5275 68.6350 176.8564 18 R 3.8245 7.8057 119.4550 57.5819 28.6868 177.3654 19 V 4.3764 7.5027 112.8231 61.6281 32.6797 175.1255 20 Y 3.5531 7.1356 114.2257 58.7200 36.0421 172.2892 21 K 4.3143 7.3085 116.2568 56.3773 33.2688 177.8125 22 E 4.4940 8.8098 121.3246 59.4925 30.6919 176.4368 23 S 4.9496 7.8561 111.2158 58.2552 66.0245 174.1241 24 T 4.5854 8.4298 113.4653 61.0211 71.3943 171.7014 25 D 5.4522 8.7467 127.6383 52.8742 43.1767 175.5485 26 V 4.7085 8.6915 117.2645 58.4491 35.0631 173.6448 27 P 4.0239 0.0000 0.0000 63.0146 31.6094 176.1826 28 A 4.2362 8.2193 125.9034 52.3200 19.3119 176.7507 29 S 4.5276 8.0882 112.0132 56.2820 65.5496 176.4316 30 R 3.9968 8.5309 124.3451 59.2451 29.9128 179.1675 31 F 4.3089 8.1842 120.0829 61.2585 39.5249 177.2531 32 K 3.6990 8.0370 118.2208 59.2526 31.7192 178.9368 33 E 3.5468 8.0617 119.6228 59.2183 29.3727 178.7899 34 E 3.9117 8.2222 118.5872 59.1438 29.4218 179.3532 35 I 3.5672 7.1326 119.6727 64.1140 37.0514 178.4019 36 L 3.8227 7.7155 119.9636 57.5614 41.4353 179.4132 37 R 4.0512 7.8664 118.9107 59.3952 29.9580 178.6171 38 I 3.9034 7.3939 119.5576 63.9628 37.2427 178.1028 39 L 4.1800 8.1099 119.7483 57.7786 41.4563 179.4991 40 A 4.1735 8.2798 120.5888 55.4174 18.2527 179.5417 41 R 3.9030 7.7141 115.3192 59.4131 30.1571 177.5503 42 E 4.3968 8.2363 115.4985 56.1708 29.8886 177.1165 43 G 3.7812 7.9356 107.7674 45.3049 0.0000 174.5777 44 F 4.3371 8.1041 118.9438 58.4387 39.3284 175.3151 45 I 4.7412 7.3591 111.8713 58.6134 40.8224 175.4724 46 K 4.0524 9.2828 122.3496 57.6838 32.3297 176.7537 47 G 4.0945 7.3428 104.1868 46.0160 0.0000 170.2402 48 Y 5.4518 8.1079 116.4916 56.0897 41.7776 174.0219 49 E 4.6468 9.3799 119.4211 54.7520 33.4959 174.2754 50 R 4.6408 8.6984 127.1827 56.7555 31.4535 175.8394 51 V 4.5056 8.8617 124.4642 61.7840 35.3264 172.7919 52 D 5.5000 8.8856 127.8018 52.6698 42.8162 175.9548 53 V 4.1900 8.9828 123.8106 61.9225 33.2298 175.1062 54 D 4.5334 10.0426 128.6450 55.3542 38.5100 174.0289 55 G 4.1291 8.5994 106.9356 45.4143 0.0000 174.7363 56 K 4.3325 8.1103 119.7435 54.7684 33.2075 174.1317 57 P 4.9908 0.0000 0.0000 63.0701 32.7689 174.8647 58 Y 5.1118 9.5493 120.8206 56.0204 42.9883 174.1611 59 L 5.2134 9.1012 119.8643 53.2154 45.3401 175.8306 60 R 4.8980 9.0841 125.3764 53.9184 31.9773 174.8840 61 V 4.5013 8.8469 127.4344 61.9761 33.5437 174.0527 62 Y 4.7971 9.3242 126.2577 56.1152 39.7507 175.3698 63 L 4.5010 8.8300 125.2592 54.5025 42.6642 176.6024 64 K 4.7547 8.3109 122.7712 54.9043 34.5901 174.6971 65 Y 4.6583 8.6815 123.1605 56.4047 42.1461 175.8382 66 G 4.3547 8.9836 110.0251 44.7847 0.0000 171.6188 67 P 4.7226 0.0000 0.0000 62.1056 32.7079 176.6146 68 R 4.3359 8.4688 120.2139 56.6434 30.7465 176.8922 69 R 4.1488 7.7918 119.6405 55.2770 30.9182 176.4662 70 Q 4.1422 8.4651 123.0306 53.8736 28.0101 176.2486 71 G 4.1576 8.5251 107.8606 43.4542 0.0000 167.6058 72 P 4.8701 0.0000 0.0000 62.0037 31.0408 173.4006 73 D 4.6791 8.7022 118.0536 51.7780 44.0933 173.6877 74 P 4.3286 0.0000 0.0000 65.0876 30.4960 177.2824 75 R 3.4296 7.8561 117.2915 56.1625 30.6584 175.1896 76 P 4.7667 0.0000 0.0000 62.1668 32.7850 175.5715 77 E 4.3554 9.1261 123.3679 55.8712 30.5963 176.6802 78 Q 4.4461 8.9723 125.4028 56.3676 29.5966 176.0703 79 V 3.9648 8.0354 118.5901 63.9230 32.9044 175.8882 80 I 4.3331 7.4139 120.7589 60.5250 36.8723 174.8256 81 H 4.5145 8.6730 123.5089 57.7686 29.6090 175.8005 82 H 4.5066 7.4337 118.7309 54.3044 32.9267 171.9867 83 I 4.7446 7.9264 125.4564 59.0648 40.5433 174.3306 84 R 4.5884 8.5515 125.2001 54.6210 32.9019 174.9481 85 R 4.1909 8.5322 120.6765 56.8568 30.5097 174.4762 86 I 4.3632 8.4014 119.1244 62.8036 39.1816 175.9855 87 S 4.3388 8.4889 119.4883 58.6427 63.4258 173.2985 88 K 4.1473 9.0641 121.6617 56.5975 35.1115 173.6450 89 P 4.3617 0.0000 0.0000 64.6743 27.7878 174.2797 90 G 4.1662 9.2208 111.6393 45.4926 0.0000 171.9405 91 R 4.4800 8.0586 119.1643 54.4698 30.4595 173.9639 92 R 4.5020 8.1079 121.1413 55.2118 31.5874 176.3020 93 V 4.4794 8.1431 119.6363 61.5612 34.4267 173.8853 94 Y 5.0924 8.8281 124.5860 56.4839 41.3563 175.3866 95 V 4.5713 8.9624 114.1386 60.1024 36.8534 174.7686 96 G 4.3875 8.5586 110.5881 44.3023 0.0000 174.7359 97 V 3.8681 8.6056 119.1312 64.8319 31.0235 178.0783 98 K 4.0817 8.0255 118.1545 58.3161 32.0827 177.1106 99 E 4.3377 8.0113 117.5820 55.7562 29.7831 175.7068 100 I 3.8176 7.6415 119.4601 61.2338 37.2546 174.1606 101 P 4.4210 0.0000 0.0000 62.5842 31.9062 175.8956 102 R 4.3244 8.2661 119.2593 55.1395 31.0364 176.6579 103 V 3.7573 8.3808 122.9163 63.7395 33.2198 175.5654 104 R 3.1823 9.3205 124.6320 58.2200 27.8782 176.0539 105 R 3.8355 8.9410 111.3220 57.2581 28.2951 178.1313 106 G 4.0182 8.6029 107.0831 45.3989 0.0000 174.6409 107 L 4.6004 7.8748 119.2163 54.1821 41.9032 176.1335 108 G 4.6567 7.6999 104.0496 45.3950 0.0000 172.8669 109 I 4.9821 9.3744 113.5185 58.7626 41.3179 174.1873 110 A 5.1561 9.1222 124.9768 50.3259 22.1287 175.0208 111 I 4.7637 8.3141 122.9761 59.8874 39.4654 174.8539 112 L 5.1974 8.6319 126.3121 53.0583 45.1317 175.4833 113 S 4.9115 9.0566 118.8397 57.5350 63.7358 172.9561 114 T 5.1985 8.6741 117.5391 59.4709 72.0195 175.0948 115 S 4.2270 8.9009 115.2240 60.9351 63.0036 174.9864 116 K 4.3678 7.9902 119.0559 56.0144 32.1666 177.0597 117 G 3.8003 8.3567 108.3118 44.0032 0.0000 172.3332 118 V 4.3981 8.0638 118.9231 62.6415 32.1040 176.2561 119 L 5.0672 8.6782 126.7630 53.1633 46.6327 176.0203 120 T 4.7579 8.4916 111.0427 60.7598 70.6775 175.4889 121 D 4.4386 8.8132 122.3303 56.5587 38.7908 178.8452 122 R 3.9339 7.9344 119.8424 59.1858 30.1180 178.1713 123 E 4.0107 8.1075 117.9122 59.1830 29.4916 178.7980 124 A 4.0007 8.3277 121.2632 55.6563 18.2589 179.7997 125 R 3.8891 7.9823 116.1611 59.4056 29.8548 179.2612 126 K 4.0909 7.4455 117.3053 59.0897 32.4141 178.1955 127 L 4.3734 8.0146 116.6223 54.4990 41.8287 177.3464 128 G 3.8717 7.5204 105.6836 46.2984 0.0000 173.8836 129 V 4.4220 7.8095 111.7392 59.1394 34.0663 175.3203 130 G 4.3778 8.5359 110.2247 44.6039 0.0000 172.2584 131 G 4.0077 7.7130 104.4055 46.2601 0.0000 170.6358 132 E 4.2242 7.5938 122.0092 55.1757 31.2913 177.4180 133 L 4.3444 8.3933 127.4492 54.7651 41.0411 177.9027 134 I 3.8264 8.9178 125.5703 63.8055 38.0824 175.7102 135 C 5.1630 7.7196 114.3445 57.2367 33.1185 171.6776 136 E 5.2678 8.8485 117.1075 54.7353 32.6298 175.3161 137 V 5.0093 9.0325 120.2069 60.7338 35.2435 174.1340 138 W 4.8024 7.8021 119.3172 57.3074 27.1125 174.0778 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 T 8.17 4.26 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 1.20 0.00 0.00 4 D 8.01 4.50 0.00 2.72 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 5 P 0.00 4.21 0.00 2.30 2.33 0.00 3.85 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 6 I 7.82 3.63 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 1.68 1.38 0.85 0.00 0.00 7 A 8.17 3.97 1.33 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 0.00 0.00 8 D 8.13 4.23 0.00 2.79 2.81 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 9 M 8.49 3.93 0.00 2.12 1.97 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 10 L 7.74 3.92 0.00 1.77 1.58 0.80 0.63 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 11 T 8.02 3.79 4.24 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 1.17 0.00 0.00 12 R 7.83 3.92 0.00 2.02 1.96 0.00 3.12 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 13 I 8.10 3.62 1.91 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 1.35 0.60 0.83 0.00 0.00 14 R 8.15 3.78 0.00 1.86 2.09 0.00 3.02 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 15 N 8.34 4.33 0.00 2.74 2.83 0.00 0.00 7.06 6.93 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 16 A 7.99 4.15 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 T 7.83 4.56 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 1.02 0.00 0.00 18 R 7.81 3.82 0.00 1.84 1.96 0.00 3.03 0.00 0.00 3.32 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 19 V 7.50 4.38 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 0.83 0.00 0.00 1.01 0.00 0.00 20 Y 7.14 3.55 0.00 2.99 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.31 4.31 0.00 1.84 1.78 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.68 7.81 22 E 8.81 4.49 0.00 1.99 2.11 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 2.51 2.36 0.00 23 S 7.86 4.95 0.00 3.63 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.43 4.59 4.22 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 1.17 0.00 0.00 25 D 8.75 5.45 0.00 2.63 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 26 V 8.69 4.71 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 0.74 0.00 0.00 0.88 0.00 0.00 27 P 0.00 4.02 0.00 1.80 1.73 0.00 3.63 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 1.96 1.97 0.00 28 A 8.22 4.24 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 29 S 8.09 4.53 0.00 3.81 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 8.53 4.00 0.00 2.01 2.00 0.00 3.27 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.77 0.00 31 F 8.18 4.31 0.00 3.09 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 32 K 8.04 3.70 0.00 1.76 1.70 0.00 1.65 0.00 0.00 1.51 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.43 7.81 33 E 8.06 3.55 0.00 2.11 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 2.24 2.17 0.00 34 E 8.22 3.91 0.00 1.96 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 2.33 2.37 0.00 35 I 7.13 3.57 1.65 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 -0.00 0.71 0.00 0.00 36 L 7.72 3.82 0.00 1.09 1.12 0.66 0.54 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 37 R 7.87 4.05 0.00 2.04 2.06 0.00 3.31 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.93 0.00 38 I 7.39 3.90 1.96 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 1.53 0.92 0.94 0.00 0.00 39 L 8.11 4.18 0.00 1.84 1.79 0.80 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.28 4.17 1.56 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 0.00 0.00 41 R 7.71 3.90 0.00 1.90 2.18 0.00 3.28 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 42 E 8.24 4.40 0.00 2.30 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 0.00 2.58 2.61 0.00 43 G 7.94 3.78 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 0.00 0.00 0.00 44 F 8.10 4.34 0.00 3.19 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 45 I 7.36 4.74 2.09 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 1.32 0.78 0.94 0.00 0.00 46 K 9.28 4.05 0.00 1.94 2.03 0.00 1.93 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.41 7.81 47 G 7.34 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 48 Y 8.11 5.45 0.00 3.07 2.91 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 49 E 9.38 4.65 0.00 2.25 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 2.29 2.29 0.00 50 R 8.70 4.64 0.00 1.95 1.88 0.00 3.68 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 51 V 8.86 4.51 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 0.77 0.00 0.00 1.04 0.00 0.00 52 D 8.89 5.50 0.00 2.61 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.98 4.19 1.89 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 0.87 0.00 0.00 0.60 0.00 0.00 54 D 10.04 4.53 0.00 2.83 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 55 G 8.60 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.11 4.33 0.00 2.33 1.74 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.55 1.63 7.81 57 P 0.00 4.99 0.00 2.08 2.19 0.00 3.58 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 58 Y 9.55 5.11 0.00 3.06 2.91 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 59 L 9.10 5.21 0.00 1.65 1.57 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 60 R 9.08 4.90 0.00 1.90 1.83 0.00 3.09 0.00 0.00 2.95 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.03 0.00 61 V 8.85 4.50 2.11 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 0.89 0.00 0.00 0.91 0.00 0.00 62 Y 9.32 4.80 0.00 3.12 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 63 L 8.83 4.50 0.00 1.98 1.74 0.90 0.77 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 64 K 8.31 4.75 0.00 1.81 1.57 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.45 7.81 65 Y 8.68 4.66 0.00 3.06 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 66 G 8.98 4.35 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 0.00 67 P 0.00 4.72 0.00 2.11 2.00 0.00 3.66 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 2.14 2.14 0.00 68 R 8.47 4.34 0.00 1.70 1.86 0.00 3.20 0.00 0.00 3.21 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 69 R 7.79 4.15 0.00 1.88 1.87 0.00 3.41 0.00 0.00 3.27 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 70 Q 8.47 4.14 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.14 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 71 G 8.53 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 72 P 0.00 4.87 0.00 2.04 2.07 0.00 3.62 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 73 D 8.70 4.68 0.00 2.56 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 P 0.00 4.33 0.00 1.96 2.01 0.00 3.68 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 2.05 0.00 75 R 7.86 3.43 0.00 1.68 1.72 0.00 3.25 0.00 0.00 3.38 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.55 0.00 76 P 0.00 4.77 0.00 2.18 2.26 0.00 3.22 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.00 0.00 77 E 9.13 4.36 0.00 2.34 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 2.40 2.36 0.00 78 Q 8.97 4.45 0.00 2.12 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.64 0.00 0.00 0.00 0.00 0.00 2.51 2.33 0.00 79 V 8.04 3.96 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 0.79 0.00 0.00 0.90 0.00 0.00 80 I 7.41 4.33 1.78 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 1.28 0.90 0.76 0.00 0.00 81 H 8.67 4.51 0.00 3.40 3.48 0.00 5.86 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 82 H 7.43 4.51 0.00 2.37 1.52 0.00 5.80 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.93 4.74 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 1.22 0.74 0.73 0.00 0.00 84 R 8.55 4.59 0.00 1.71 1.67 0.00 2.73 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.47 0.00 85 R 8.53 4.19 0.00 1.66 1.85 0.00 3.31 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 86 I 8.40 4.36 2.02 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 1.10 0.72 0.89 0.00 0.00 87 S 8.49 4.34 0.00 3.92 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 88 K 9.06 4.15 0.00 2.00 1.81 0.00 1.37 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.27 1.26 7.81 89 P 0.00 4.36 0.00 2.08 2.06 0.00 3.79 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.13 0.00 90 G 9.22 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 0.00 0.00 0.00 0.00 91 R 8.06 4.48 0.00 1.85 1.75 0.00 3.14 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 92 R 8.11 4.50 0.00 1.96 2.07 0.00 3.40 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.81 0.00 93 V 8.14 4.48 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 0.97 0.00 0.00 0.92 0.00 0.00 94 Y 8.83 5.09 0.00 2.84 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 95 V 8.96 4.57 2.11 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 0.71 0.00 0.00 1.03 0.00 0.00 96 G 8.56 4.39 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 0.00 97 V 8.61 3.87 2.15 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 0.77 0.00 0.00 0.94 0.00 0.00 98 K 8.03 4.08 0.00 1.78 1.92 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.38 7.81 99 E 8.01 4.34 0.00 1.91 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 2.28 2.33 0.00 100 I 7.64 3.82 1.89 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 1.49 0.95 0.93 0.00 0.00 101 P 0.00 4.42 0.00 2.19 2.07 0.00 3.77 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 102 R 8.27 4.32 0.00 1.81 1.91 0.00 3.20 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 103 V 8.38 3.76 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 1.30 0.00 0.00 1.00 0.00 0.00 104 R 9.32 3.18 0.00 1.12 1.37 0.00 2.21 0.00 0.00 2.65 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.67 0.00 105 R 8.94 3.84 0.00 1.86 1.90 0.00 3.13 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.50 0.00 106 G 8.60 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 0.00 107 L 7.87 4.60 0.00 1.49 1.60 0.81 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 108 G 7.70 4.66 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 0.00 0.00 0.00 109 I 9.37 4.98 1.95 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.21 1.09 0.00 0.00 110 A 9.12 5.16 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 0.00 111 I 8.31 4.76 1.80 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.58 0.85 0.00 0.00 112 L 8.63 5.20 0.00 1.60 1.54 0.94 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 113 S 9.06 4.91 0.00 4.09 3.78 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 0.00 114 T 8.67 5.20 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 1.28 0.00 0.00 115 S 8.90 4.23 0.00 4.01 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 0.00 116 K 7.99 4.37 0.00 1.82 1.87 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.38 7.81 117 G 8.36 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 0.00 0.00 0.00 118 V 8.06 4.40 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 0.81 0.00 0.00 1.13 0.00 0.00 119 L 8.68 5.07 0.00 1.64 1.50 0.94 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.49 4.76 4.28 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 1.26 0.00 0.00 121 D 8.81 4.44 0.00 2.93 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 0.00 122 R 7.93 3.93 0.00 1.93 1.99 0.00 3.20 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 123 E 8.11 4.01 0.00 2.38 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 2.35 2.34 0.00 124 A 8.33 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 0.00 125 R 7.98 3.89 0.00 2.04 2.02 0.00 3.14 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 126 K 7.45 4.09 0.00 1.92 1.96 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 127 L 8.01 4.37 0.00 1.66 1.71 0.94 1.18 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 0.00 128 G 7.52 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 0.00 0.00 0.00 129 V 7.81 4.42 2.11 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 0.73 0.00 0.00 1.00 0.00 0.00 130 G 8.54 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 0.00 0.00 0.00 0.00 131 G 7.71 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 0.00 0.00 0.00 0.00 132 E 7.59 4.22 0.00 1.54 1.65 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 2.01 1.80 0.00 133 L 8.39 4.34 0.00 1.60 1.58 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 134 I 8.92 3.83 1.92 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.00 0.91 0.00 0.00 135 C 7.72 5.16 0.00 2.97 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 0.00 136 E 8.85 5.27 0.00 2.13 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 2.11 2.19 0.00 137 V 9.03 5.01 1.65 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 0.42 0.00 0.00 -0.13 0.00 0.00 138 W 7.80 4.80 0.00 3.45 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