NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4316 8.2893 120.3475 55.4729 33.3163 174.3245 2 E 4.4911 8.3496 122.3222 55.0357 33.0212 171.9780 3 A 4.5707 8.1148 120.3577 50.7640 22.8940 178.3928 4 L 4.0423 8.4779 121.2397 57.5168 42.5342 177.2097 5 I 4.6936 7.1646 118.4741 60.0616 37.8314 176.1428 6 L 4.0961 7.8099 121.2970 58.1077 40.7040 177.3368 7 E 4.6780 7.5973 116.7325 53.7060 33.7068 173.9039 8 P 4.4497 0.0000 0.0000 62.7431 30.2783 177.6064 9 S 4.2589 7.5660 110.4510 59.9760 63.0910 173.9289 10 L 4.5037 7.0003 119.9483 54.4033 43.7584 174.6426 11 Y 4.9050 8.0870 114.2045 56.1255 41.4773 177.4003 12 T 4.1650 8.7467 113.3147 64.0160 69.0400 174.8101 13 V 4.6341 8.1708 115.2773 59.4244 34.9608 176.2744 14 K 4.4321 9.1868 124.1509 58.8752 33.4922 176.3961 15 A 4.7991 7.7331 119.2225 51.1505 22.9143 175.1404 16 I 5.1197 8.4934 119.3034 59.8095 41.4090 175.0462 17 L 5.2608 9.1858 125.4684 53.1393 46.3761 175.7767 18 I 5.2343 9.1529 122.2370 60.0243 41.2695 174.2660 19 L 5.4496 9.1126 127.0331 52.5218 45.8220 176.1935 20 D 5.1596 8.9810 122.6026 52.8867 40.5019 177.0286 21 N 4.6438 8.6753 116.0346 55.3310 37.2904 175.5782 22 D 4.3149 8.3619 117.1641 54.5885 41.8239 175.8589 23 G 3.1875 7.5712 105.6838 44.7152 0.0000 173.3971 24 D 4.1987 8.7244 122.1544 53.6191 41.5235 175.6371 25 R 4.2946 8.3347 126.6432 56.5506 28.8134 175.7782 26 L 4.3253 8.4559 124.7327 57.2258 42.2761 177.0790 27 F 5.2010 8.6924 119.2616 57.0896 43.3060 172.8169 28 A 4.5844 6.9404 122.9635 50.7435 21.9644 175.4992 29 K 4.3695 8.4082 121.0369 55.0536 36.1827 174.6311 30 Y 4.7234 7.9138 121.5740 56.4176 41.8122 174.5532 31 Y 4.7789 8.8482 117.6036 57.4108 40.4266 174.7755 32 D 4.6716 7.7993 118.4333 52.1434 44.4768 175.5131 33 D 4.5429 8.7258 123.4307 56.0726 41.6380 177.3613 34 T 3.5567 8.2188 109.2619 64.9687 69.1411 174.6648 35 Y 4.6333 6.9593 116.2484 55.6785 38.4951 173.2518 36 P 4.4536 0.0000 0.0000 63.1728 32.9495 177.5767 37 S 4.5687 7.2397 115.2285 55.6762 67.6994 174.1654 38 V 3.5897 8.3765 125.5146 66.4553 31.2518 178.5398 39 K 3.9105 7.9503 117.1613 59.6978 31.8818 179.0739 40 E 4.1154 8.0552 118.1907 59.1205 29.4351 179.1753 41 Q 3.7452 8.0678 118.2987 58.9614 28.7783 178.9736 42 K 4.1715 8.6278 120.8931 58.6795 31.9914 179.3285 43 A 3.9320 7.8406 120.5771 55.2127 18.3923 179.4897 44 F 3.9069 8.2434 119.3412 61.2983 39.1571 177.1775 45 E 3.6812 8.5006 118.7091 59.2413 29.1914 179.5273 46 K 3.9926 8.0533 118.5740 59.0936 31.9863 178.7854 47 N 4.1377 8.0434 117.4156 56.7778 38.6039 176.6074 48 I 3.2271 7.1760 119.7796 64.3001 37.4575 177.7643 49 F 3.9650 8.0509 121.1766 61.2351 39.2920 176.5359 50 N 4.3678 8.3454 116.6460 56.7534 38.6249 176.5085 51 K 4.2851 8.0051 117.1646 57.8923 32.2595 177.6229 52 T 4.2717 7.2507 107.5530 62.8585 70.5312 175.3762 53 H 4.5625 7.8783 114.6079 56.5864 28.4238 175.6665 54 R 4.5843 7.6007 117.8934 56.1105 30.9668 174.8883 55 T 4.7351 7.6099 113.5427 61.7881 72.4507 174.4263 56 D 4.5869 8.4490 123.3046 52.7973 39.5181 175.1718 57 S 3.6882 8.4018 118.3768 56.7024 63.8404 174.4925 58 E 5.4728 6.6240 130.5649 57.6380 26.4472 176.4266 59 I 5.1016 6.6804 116.6495 60.1091 41.2376 172.9756 60 A 4.8346 9.2978 127.7406 50.9127 23.5762 174.8149 61 L 5.2001 8.3800 120.1574 53.6312 44.7352 175.5725 62 L 4.7069 9.0928 126.1463 55.4882 43.4811 175.7164 63 E 3.9400 10.1722 118.6031 57.4629 27.2069 175.7135 64 G 4.0225 8.7019 103.9336 45.4083 0.0000 173.7088 65 L 4.8763 8.2649 120.0880 52.7193 44.6964 176.0994 66 T 4.7486 8.4476 120.2816 63.5904 69.9440 174.0745 67 V 5.0765 8.9184 124.1972 60.3696 35.0496 174.6716 68 V 5.0342 8.8154 117.8227 60.4323 33.8993 174.3846 69 Y 5.3486 8.4196 120.1921 56.4180 41.8668 173.1648 70 K 4.3904 8.8605 119.9279 55.4368 36.2229 174.7021 71 S 5.0395 8.1905 118.9729 57.0865 67.1444 173.9604 72 S 4.4808 8.9661 118.6251 58.2765 66.2456 173.2423 73 I 3.4284 8.3640 127.2330 62.2820 36.1792 174.1572 74 D 4.9170 7.5198 114.0325 54.2756 43.8327 173.4861 75 L 5.1966 8.5579 118.1280 53.2372 46.0956 174.6385 76 Y 5.1943 9.0900 121.4567 56.2715 42.4398 174.3535 77 F 5.3269 9.2986 121.2982 56.1066 43.1335 173.7267 78 Y 5.5958 9.3917 119.3415 56.6402 42.9893 174.3100 79 V 4.9308 9.1793 121.7909 61.3980 35.2322 174.0493 80 I 5.1397 9.0552 128.5391 59.9520 40.5451 175.1222 81 G 4.6858 8.6176 111.8500 46.2628 0.0000 172.2868 82 S 4.6976 8.2118 116.1612 58.2434 63.9401 174.6631 83 S 4.7303 8.3563 114.2930 58.5011 64.0677 175.7348 84 Y 4.4240 8.4132 119.6825 59.9343 37.5934 177.0517 85 E 4.7056 7.0253 114.3437 55.5117 34.0505 174.2378 86 N 4.8858 7.0924 114.4051 51.6840 40.1628 173.7337 87 E 4.6221 8.3534 113.5768 55.1881 31.1731 177.6977 88 L 4.0137 7.9493 120.6930 58.0665 41.6291 178.8056 89 M 4.0777 8.6805 117.4459 58.2244 30.9734 178.8201 90 L 4.0321 7.7167 119.5623 57.9358 41.9148 178.8661 91 M 3.9895 8.1867 118.4366 58.3816 31.7822 178.7462 92 A 3.9537 8.1903 120.9037 55.2236 18.5650 179.8529 93 V 3.5531 7.8989 116.7414 66.0210 31.5477 177.9352 94 L 4.0194 8.2254 120.2670 58.2858 41.9613 178.7335 95 N 4.2973 8.3877 116.5855 56.3912 38.4348 176.9032 96 C 4.0891 8.3713 120.3736 62.3433 31.6470 175.3717 97 L 3.9455 8.2751 122.1406 58.2789 41.8002 178.7438 98 F 3.8078 8.3818 120.7477 61.2152 39.2809 176.5914 99 D 4.3351 8.4386 118.0439 57.0781 41.0648 178.3405 100 S 4.1021 8.2940 115.0782 61.2727 62.8818 176.2704 101 L 3.8734 7.8997 122.6936 57.8723 41.3037 179.6418 102 S 3.9377 7.7094 114.6292 61.6592 62.4339 177.1110 103 Q 3.9067 7.7881 119.7055 59.3370 28.6676 178.2625 104 M 4.1809 7.7877 118.1737 58.3989 32.0789 178.6263 105 L 4.0107 8.1598 118.5170 55.4138 42.3865 177.1149 106 R 3.7290 7.6737 117.6439 56.6412 29.0850 174.3122 107 K 4.5422 7.2106 114.5994 55.4235 36.4097 176.4579 108 N 4.7695 8.8330 116.6361 53.4353 38.3779 175.4792 109 V 3.5030 7.2294 108.0053 61.5421 29.9730 173.9013 110 E 4.4097 7.4052 117.6082 55.1590 32.0723 176.1956 111 K 3.8284 8.5289 118.9943 59.9383 32.0203 178.3966 112 R 3.8744 7.9910 118.0278 59.2845 29.8437 178.0613 113 A 3.9652 7.9118 119.3227 55.0511 18.6269 179.1819 114 L 4.0459 8.1259 117.5514 57.8880 41.5270 179.3672 115 L 3.9268 7.8167 119.0118 58.3061 42.0859 178.6459 116 E 4.2102 8.3361 117.1435 58.2064 29.4807 177.2413 117 N 4.9683 8.0166 115.8205 52.3963 40.5478 175.9687 118 M 3.5109 8.2700 120.8916 58.6878 31.7964 178.1167 119 E 3.4750 7.6503 118.4945 58.9079 29.7786 178.8522 120 G 3.5006 7.7447 105.2873 47.5469 0.0000 175.0615 121 L 3.8102 7.7764 123.0760 57.8879 42.0999 178.9577 122 F 4.2495 7.8992 117.8205 60.8995 38.6536 177.8475 123 L 4.1369 8.2709 118.1578 57.3974 41.2550 179.5040 124 A 3.9774 8.2990 121.3289 55.1672 18.3560 179.7085 125 V 3.6139 7.9252 116.8493 66.2396 31.4265 177.3451 126 D 4.6285 8.2365 115.5401 56.0948 41.0097 176.7061 127 E 4.5885 7.5777 117.6723 57.9491 31.3821 178.1397 128 I 4.0021 8.0933 120.1931 63.0889 37.1298 176.3561 129 V 4.8939 7.1976 109.9601 59.8337 35.8469 174.2762 130 D 4.5207 8.9098 120.7507 54.0954 44.0183 175.5699 131 G 4.1233 9.8392 114.7542 46.6890 0.0000 174.0618 132 G 3.4024 7.2548 104.9415 43.8927 0.0000 173.6248 133 V 4.6694 7.4216 119.6811 59.9669 33.7893 175.0934 134 I 4.1014 8.0250 120.3290 61.4973 37.8138 175.2680 135 L 4.5671 8.8925 123.8784 55.9584 44.1643 176.1155 136 E 4.7994 7.6645 116.0824 55.0089 32.7023 174.3612 137 S 4.7105 8.9682 118.7970 57.4323 64.7891 173.9019 138 D 4.8098 7.9942 119.7861 51.2950 43.6586 173.8750 139 P 4.2677 0.0000 0.0000 66.0698 31.5682 178.5379 140 Q 3.9996 8.0684 117.0179 58.5289 28.6488 178.1068 141 Q 3.7950 8.6706 122.2980 58.9314 29.0622 177.8732 142 V 3.5907 7.7132 119.3934 66.2755 31.4419 178.1284 143 V 3.5768 8.0206 117.8045 66.2632 31.2680 177.5432 144 H 4.1179 8.5910 116.1835 59.1316 28.6148 178.0130 145 R 3.9332 8.1372 119.6992 59.1609 29.6442 179.3296 146 V 3.5864 7.8529 117.0701 66.0042 31.6293 177.7033 147 A 4.1172 8.1667 119.8052 55.0838 18.2672 179.2961 148 L 4.1173 8.0367 116.8184 57.3578 41.8189 178.0083 149 R 4.2373 7.9192 121.9603 56.7108 30.2850 176.1762 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 M 8.29 4.43 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 2 E 8.35 4.49 0.00 2.12 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 2.17 2.36 0.00 3 A 8.11 4.57 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 4 L 8.48 4.04 0.00 1.59 1.68 0.93 1.04 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 5 I 7.16 4.69 1.68 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.48 0.74 0.00 0.00 6 L 7.81 4.10 0.00 1.76 2.00 0.90 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.60 4.68 0.00 1.85 1.77 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 2.16 2.23 0.00 8 P 0.00 4.45 0.00 2.09 2.14 0.00 3.63 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.93 0.00 9 S 7.57 4.26 0.00 3.78 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.00 4.50 0.00 1.65 1.52 0.72 0.50 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 11 Y 8.09 4.91 0.00 3.13 3.18 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 0.00 0.00 0.00 12 T 8.75 4.17 4.34 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 1.34 0.00 0.00 13 V 8.17 4.63 2.24 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 0.95 0.00 0.00 0.86 0.00 0.00 14 K 9.19 4.43 0.00 1.84 1.96 0.00 1.86 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.68 1.61 7.81 15 A 7.73 4.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 8.49 5.12 2.11 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.13 1.29 0.00 0.00 17 L 9.19 5.26 0.00 1.60 1.47 0.72 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 18 I 9.15 5.23 2.14 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.26 0.80 0.00 0.00 19 L 9.11 5.45 0.00 1.81 1.56 0.82 0.77 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 20 D 8.98 5.16 0.00 2.72 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 21 N 8.68 4.64 0.00 3.14 3.08 0.00 0.00 7.35 8.49 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 22 D 8.36 4.31 0.00 2.57 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 23 G 7.57 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 0.00 0.00 0.00 24 D 8.72 4.20 0.00 2.69 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 25 R 8.33 4.29 0.00 1.78 1.85 0.00 3.55 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 26 L 8.46 4.33 0.00 1.83 1.81 0.92 0.84 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 27 F 8.69 5.20 0.00 3.28 2.98 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 28 A 6.94 4.58 1.06 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 0.00 0.00 29 K 8.41 4.37 0.00 1.50 1.41 0.00 1.45 0.00 0.00 1.62 0.00 0.00 2.71 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.30 0.63 7.81 30 Y 7.91 4.72 0.00 2.58 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 31 Y 8.85 4.78 0.00 2.46 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 32 D 7.80 4.67 0.00 2.54 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.73 4.54 0.00 2.67 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.22 3.56 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 1.03 0.00 0.00 35 Y 6.96 4.63 0.00 2.58 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.45 0.00 2.09 2.06 0.00 3.56 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.88 0.00 37 S 7.24 4.57 0.00 3.74 3.66 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 38 V 8.38 3.59 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 1.17 0.00 0.00 0.86 0.00 0.00 39 K 7.95 3.91 0.00 1.77 1.82 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.45 7.81 40 E 8.06 4.12 0.00 2.11 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 2.38 2.32 0.00 41 Q 8.07 3.75 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.52 0.00 0.00 0.00 0.00 0.00 1.16 2.05 0.00 42 K 8.63 4.17 0.00 1.87 1.81 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.43 7.81 43 A 7.84 3.93 1.41 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 0.00 0.00 0.00 44 F 8.24 3.91 0.00 1.87 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 45 E 8.50 3.68 0.00 2.16 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 2.25 2.45 0.00 46 K 8.05 3.99 0.00 1.85 1.79 0.00 1.61 0.00 0.00 1.50 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.45 7.81 47 N 8.04 4.14 0.00 2.75 2.84 0.00 0.00 6.35 7.03 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 48 I 7.18 3.23 1.42 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 -0.07 -0.10 0.00 0.00 49 F 8.05 3.97 0.00 3.02 3.04 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 50 N 8.35 4.37 0.00 2.92 2.91 0.00 0.00 7.28 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 51 K 8.01 4.29 0.00 1.79 1.76 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.60 7.81 52 T 7.25 4.27 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 0.68 0.00 0.00 53 H 7.88 4.56 0.00 3.07 2.61 0.00 5.50 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.60 4.58 0.00 1.64 1.82 0.00 2.98 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.98 0.00 55 T 7.61 4.74 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 56 D 8.45 4.59 0.00 2.62 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 57 S 8.40 3.69 0.00 3.67 3.26 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 58 E 6.62 5.47 0.00 2.07 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 1.99 1.86 0.00 59 I 6.68 5.10 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 1.34 0.81 0.91 0.00 0.00 60 A 9.30 4.83 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 61 L 8.38 5.20 0.00 1.63 1.56 1.03 0.90 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 62 L 9.09 4.71 0.00 1.86 1.69 1.04 0.89 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 63 E 10.17 3.94 0.00 2.40 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 64 G 8.70 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 65 L 8.26 4.88 0.00 1.96 1.71 1.06 0.79 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 66 T 8.45 4.75 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 1.26 0.00 0.00 67 V 8.92 5.08 2.23 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 0.99 0.00 0.00 1.21 0.00 0.00 68 V 8.82 5.03 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 0.77 0.00 0.00 1.08 0.00 0.00 69 Y 8.42 5.35 0.00 2.78 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 70 K 8.86 4.39 0.00 1.60 1.50 0.00 1.17 0.00 0.00 1.14 0.00 0.00 2.13 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.52 1.28 7.81 71 S 8.19 5.04 0.00 3.29 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 72 S 8.97 4.48 0.00 4.19 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 73 I 8.36 3.43 1.94 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 1.34 0.41 0.95 0.00 0.00 74 D 7.52 4.92 0.00 2.79 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.56 5.20 0.00 1.81 1.41 -0.10 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 9.09 5.19 0.00 3.08 2.52 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 77 F 9.30 5.33 0.00 2.90 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 78 Y 9.39 5.60 0.00 2.97 2.87 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 79 V 9.18 4.93 2.22 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 1.19 0.00 0.00 1.12 0.00 0.00 80 I 9.06 5.14 2.03 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 1.48 0.67 1.19 0.00 0.00 81 G 8.62 4.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 S 8.21 4.70 0.00 4.21 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 83 S 8.36 4.73 0.00 3.85 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 84 Y 8.41 4.42 0.00 3.01 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 7.03 4.71 0.00 1.97 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 2.30 2.56 0.00 86 N 7.09 4.89 0.00 2.66 2.59 0.00 0.00 5.19 7.39 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 87 E 8.35 4.62 0.00 2.08 2.13 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 2.22 2.22 0.00 88 L 7.95 4.01 0.00 1.69 1.75 0.91 0.86 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 89 M 8.68 4.08 0.00 2.27 2.38 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.66 0.00 90 L 7.72 4.03 0.00 1.87 1.82 0.98 1.09 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 91 M 8.19 3.99 0.00 2.01 2.26 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.70 0.00 92 A 8.19 3.95 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 93 V 7.90 3.55 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 1.17 0.00 0.00 1.02 0.00 0.00 94 L 8.23 4.02 0.00 1.85 1.79 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 95 N 8.39 4.30 0.00 2.86 2.85 0.00 0.00 6.95 8.15 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 96 C 8.37 4.09 0.00 3.15 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 97 L 8.28 3.95 0.00 1.94 1.95 0.98 1.07 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 98 F 8.38 3.81 0.00 2.88 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 99 D 8.44 4.34 0.00 2.86 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 0.00 100 S 8.29 4.10 0.00 4.07 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 0.00 101 L 7.90 3.87 0.00 1.73 1.61 1.05 0.74 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 0.00 102 S 7.71 3.94 0.00 3.91 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 0.00 103 Q 7.79 3.91 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.95 0.00 0.00 0.00 0.00 0.00 2.53 2.53 0.00 104 M 7.79 4.18 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.54 0.00 105 L 8.16 4.01 0.00 1.65 1.67 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 106 R 7.67 3.73 0.00 1.91 1.88 0.00 3.21 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 107 K 7.21 4.54 0.00 1.80 1.85 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.40 1.34 7.81 108 N 8.83 4.77 0.00 2.85 2.84 0.00 0.00 7.91 7.15 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 0.00 109 V 7.23 3.50 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 0.37 0.00 0.00 0.37 0.00 0.00 110 E 7.41 4.41 0.00 2.23 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 0.00 2.30 2.47 0.00 111 K 8.53 3.83 0.00 1.86 1.88 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.52 7.81 112 R 7.99 3.87 0.00 1.96 1.91 0.00 3.28 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 113 A 7.91 3.97 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.13 4.05 0.00 1.88 1.74 1.07 0.41 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 0.00 115 L 7.82 3.93 0.00 1.70 1.87 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.34 4.21 0.00 2.10 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 2.49 2.47 0.00 117 N 8.02 4.97 0.00 2.71 2.63 0.00 0.00 7.05 8.40 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 0.00 118 M 8.27 3.51 0.00 1.55 1.84 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.75 0.00 119 E 7.65 3.47 0.00 1.87 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 120 G 7.74 3.50 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 0.00 0.00 0.00 121 L 7.78 3.81 0.00 1.60 1.66 0.62 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 122 F 7.90 4.25 0.00 3.13 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 0.00 123 L 8.27 4.14 0.00 1.83 1.74 0.94 0.79 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 0.00 124 A 8.30 3.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.93 3.61 2.35 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 1.33 0.00 0.00 1.00 0.00 0.00 126 D 8.24 4.63 0.00 2.89 2.94 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 0.00 127 E 7.58 4.59 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.47 0.00 128 I 8.09 4.00 1.93 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 1.55 0.91 1.00 0.00 0.00 129 V 7.20 4.89 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 1.01 0.00 0.00 130 D 8.91 4.52 0.00 2.69 2.44 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 0.00 131 G 9.84 4.12 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 0.00 0.00 0.00 132 G 7.25 3.40 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 0.00 133 V 7.42 4.67 2.19 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 1.12 0.00 0.00 1.08 0.00 0.00 134 I 8.03 4.10 1.89 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 0.73 0.94 0.00 0.00 135 L 8.89 4.57 0.00 1.55 1.85 1.00 0.93 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 0.00 136 E 7.66 4.80 0.00 1.81 1.86 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 2.22 2.32 0.00 137 S 8.97 4.71 0.00 3.83 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 0.00 138 D 7.99 4.81 0.00 2.64 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 P 0.00 4.27 0.00 2.43 2.45 0.00 3.75 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 2.07 2.03 0.00 140 Q 8.07 4.00 0.00 2.38 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 141 Q 8.67 3.79 0.00 2.19 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 142 V 7.71 3.59 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.99 0.00 0.00 143 V 8.02 3.58 2.26 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 1.00 0.00 0.00 1.00 0.00 0.00 144 H 8.59 4.12 0.00 3.41 3.35 0.00 5.87 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 0.00 145 R 8.14 3.93 0.00 2.03 2.00 0.00 3.21 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 146 V 7.85 3.59 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 0.83 0.00 0.00 1.02 0.00 0.00 147 A 8.17 4.12 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 0.00 148 L 8.04 4.12 0.00 1.83 1.75 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 149 R 7.92 4.24 0.00 2.00 1.89 0.00 3.22 0.00 0.00 3.29 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00