NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.5104 8.4293 116.2159 55.1231 30.3710 173.2592 2 C 4.2065 7.7077 114.0570 56.8446 30.1248 172.0540 3 D 4.5792 8.3654 118.5311 55.2043 40.0572 175.6528 4 L 4.0846 8.0683 120.4267 56.9677 42.2680 175.7744 5 P 4.5650 0.0000 0.0000 62.4985 32.1405 175.5551 6 C 4.2153 8.5065 114.2208 57.9780 30.5655 174.9990 7 G 3.9301 8.1477 106.9622 45.5236 0.0000 172.8969 8 V 4.1989 7.1882 119.4267 61.2985 32.4006 174.6156 9 Y 4.7765 8.1935 123.6270 56.6362 42.0804 174.2875 10 D 3.9471 8.1405 120.7845 51.4160 44.2851 174.3842 11 P 4.0770 0.0000 0.0000 65.0039 31.1356 178.0337 12 A 3.9964 8.8498 120.3361 55.2645 17.7304 179.7029 13 Q 3.7708 7.9802 116.3433 58.9885 28.7044 178.7380 14 A 4.0529 7.7792 121.2414 55.1703 18.5366 179.4636 15 R 3.8357 8.1090 117.2605 59.7481 30.1805 178.8668 16 I 3.8566 8.1046 119.9334 64.3367 37.0559 178.3138 17 E 3.9905 8.0272 119.0043 59.3292 29.3006 179.2500 18 A 4.0548 8.3102 120.9713 55.0022 18.3086 179.5619 19 E 3.9394 8.7415 117.7106 59.6378 29.4454 179.5416 20 S 4.1210 8.1851 115.2021 61.6068 62.9360 176.9085 21 V 3.5569 7.8682 120.7000 65.9954 31.2052 177.9900 22 K 4.1299 8.1723 119.0127 59.4897 32.0288 178.5177 23 A 4.1571 8.3945 121.5039 55.2097 18.2765 179.8121 24 V 3.5631 8.1457 117.0079 66.2037 31.6879 178.2408 25 Q 4.0242 8.1792 117.7962 59.0909 28.6248 178.6972 26 E 4.0103 8.4975 119.7716 59.4969 29.4441 179.6186 27 K 4.1941 8.1424 118.1841 59.3081 31.9081 179.2784 28 M 4.2811 8.0044 118.2059 57.8510 31.9080 177.6887 29 A 4.4205 7.8854 119.0696 52.9678 18.9507 177.8860 30 G 3.8165 7.7657 105.4639 44.8336 0.0000 173.7591 31 N 4.3012 7.6480 116.5462 53.1700 39.7996 173.2977 32 D 4.7028 8.6372 125.0123 53.1748 40.2602 176.6618 33 D 4.3801 8.2695 120.9275 54.4788 42.0247 174.7404 34 P 4.2683 0.0000 0.0000 66.1528 31.3655 178.0312 35 H 4.1576 8.3350 116.3076 59.2026 29.7749 176.8085 36 F 4.0570 8.4469 122.0594 61.4958 39.2271 176.9739 37 Q 3.8660 8.5167 117.8915 59.2825 28.4188 179.1981 38 T 3.7993 8.1196 116.8224 66.6749 68.4388 176.9700 39 R 3.7525 7.9763 119.8606 59.1635 29.9711 178.9083 40 A 3.7208 7.6988 120.7419 55.2958 18.2442 179.9065 41 T 3.7126 7.6678 114.1294 66.6699 68.4733 176.8549 42 V 3.5477 7.7980 120.2841 66.3417 31.4479 178.2129 43 I 3.8915 7.8886 119.4426 64.0797 36.9593 178.1440 44 K 3.8176 8.2440 120.8941 59.5669 31.9464 178.2458 45 E 3.9122 8.1830 119.3493 59.4154 29.5199 178.9006 46 Q 3.9528 7.8458 117.6321 59.1812 28.7561 179.0546 47 R 3.9544 8.2147 118.9427 59.0626 30.0908 179.0013 48 A 3.9749 8.1823 120.7769 55.0266 18.3528 179.2861 49 E 3.8896 8.2199 117.9125 59.3561 29.6867 179.0259 50 L 3.9072 7.9860 118.8367 57.7636 41.6457 179.2723 51 A 4.0693 8.2569 120.8240 55.1825 18.2062 179.8124 52 K 3.8947 8.1970 116.9238 59.7267 32.0375 178.9485 53 H 4.0978 8.2077 118.4423 59.7601 29.8114 177.0096 54 H 4.2237 8.2574 117.9481 58.8787 28.6191 178.0485 55 V 3.6406 8.0954 120.1889 66.0134 31.3032 178.0201 56 S 4.3017 8.3800 113.1551 61.4888 62.1633 176.3201 57 V 3.7011 8.1349 121.1397 65.8750 31.1717 177.8296 58 L 3.9556 8.0632 118.8521 57.6450 41.2973 179.3966 59 W 4.6990 8.2098 126.7367 60.7783 30.8399 177.7944 60 S 4.0331 8.5987 113.0453 60.3220 62.8296 175.0418 61 D 4.7414 8.1936 120.8202 55.6616 42.0131 177.2924 62 Y 3.4622 7.4758 118.5120 60.0044 39.0720 175.6175 63 F 4.1434 7.9147 117.9797 57.1351 39.6195 174.8484 64 K 4.6466 7.9121 122.2958 53.0025 36.1834 175.2288 65 P 4.4276 0.0000 0.0000 65.9387 31.0555 177.2032 66 P 4.2202 0.0000 0.0000 65.7095 31.1170 178.4267 67 H 4.3953 7.9249 115.4338 58.8692 28.4017 177.8451 68 F 4.4186 7.6181 118.9633 60.1364 38.5130 177.2671 69 E 4.0722 8.2383 118.8757 59.0742 29.5722 178.3650 70 K 4.0301 8.0019 118.6491 57.8640 33.6552 176.3636 71 Y 4.8948 8.1726 117.1413 54.0894 37.6524 174.2183 72 P 4.6242 0.0000 0.0000 64.1108 31.9692 178.0016 73 E 4.3511 8.1436 116.1416 56.7758 30.5529 177.8855 74 L 4.0232 8.1647 122.6429 58.5598 42.0779 178.1631 75 H 4.3013 8.2468 115.7430 59.2354 28.7126 177.3694 76 Q 3.8656 8.0439 120.5965 58.8264 28.8277 177.6877 77 L 3.8356 8.0960 121.6465 58.1438 42.1742 179.1373 78 V 3.3844 7.8107 118.3178 65.9329 31.3770 177.4476 79 N 3.9869 7.8019 116.6673 56.7357 38.6606 176.5908 80 D 4.0748 8.1990 120.6520 57.3536 40.7614 178.9374 81 T 3.4830 7.6551 116.5273 66.4518 68.4013 176.7288 82 L 3.9422 7.7282 120.8328 57.7551 41.6229 179.7815 83 K 3.9044 8.0863 118.2267 59.2697 31.9285 179.2872 84 A 4.0658 8.1045 121.4923 55.3575 18.2674 179.6492 85 M 4.0662 8.1525 117.3598 58.5202 32.0727 179.0049 86 S 4.1016 8.2801 115.2672 61.6936 62.7923 176.7200 87 A 4.0269 7.9913 122.0567 54.9954 18.4320 179.2543 88 A 4.2252 8.1061 120.8074 54.5673 18.1882 179.8464 89 K 3.9742 8.0570 116.5262 59.6163 32.3071 179.0793 90 G 3.8331 7.6294 102.0439 44.8526 0.0000 173.1867 91 S 4.7387 7.2320 114.3671 56.4684 65.5114 173.7345 92 K 4.2425 8.4809 123.0168 56.5339 32.7004 176.3120 93 D 4.5391 8.2441 120.9885 52.9076 41.1371 175.1151 94 P 5.0134 0.0000 0.0000 64.6755 31.2871 178.3164 95 A 4.0192 8.5680 120.3650 55.0277 18.0441 179.7134 96 T 4.0177 8.3475 109.3732 64.7981 68.9869 177.2179 97 G 3.6344 8.1855 108.1599 47.6807 0.0000 175.2920 98 Q 4.0057 8.3522 122.1490 58.6294 29.0574 178.1740 99 K 3.8444 8.2644 120.6387 59.3143 32.1723 178.5278 100 A 4.2108 7.9935 120.8147 55.3830 18.2848 179.6096 101 L 3.9672 8.0932 117.3366 58.0709 41.5368 179.5059 102 D 4.3379 8.4651 119.3020 57.4271 40.6756 178.4663 103 Y 4.2205 7.9855 117.2354 61.2648 37.9051 178.5581 104 I 3.7772 8.1985 120.6637 64.4540 37.1759 178.3513 105 A 4.1449 8.2766 121.5780 55.1705 18.2149 179.7686 106 Q 4.0085 7.9163 116.8784 59.1727 28.7776 178.9289 107 I 3.7799 7.9107 120.9565 64.3430 37.0944 177.9156 108 D 4.4259 8.8526 119.2966 57.1669 41.0581 178.2030 109 K 4.0757 8.3279 120.0864 59.7100 32.2548 178.8233 110 I 3.4959 7.6109 119.4879 64.1483 36.7279 177.8631 111 F 3.9937 8.4580 120.6992 61.5209 39.4649 177.1873 112 W 4.2712 8.5148 118.0837 59.4728 28.9210 178.4555 113 E 4.1334 8.4701 119.2773 59.6139 28.7433 179.2495 114 T 4.1190 7.9193 108.1319 63.7790 68.9624 175.8375 115 K 4.2053 7.3568 119.3665 56.1950 32.6225 177.0274 116 K 4.2841 7.2592 118.3911 55.2581 32.9069 176.9276 117 A 4.1897 8.6022 122.0480 52.9659 18.1805 177.6892 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 H 8.43 4.51 0.00 3.25 3.34 0.00 5.47 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 C 7.71 4.21 0.00 3.12 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 3 D 8.37 4.58 0.00 2.88 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 4 L 8.07 4.08 0.00 1.60 1.74 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.56 0.00 2.27 2.09 0.00 3.81 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 6 C 8.51 4.22 0.00 3.00 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 7 G 8.15 3.93 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 0.00 0.00 0.00 8 V 7.19 4.20 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 0.86 0.00 0.00 0.89 0.00 0.00 9 Y 8.19 4.78 0.00 2.77 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 10 D 8.14 3.95 0.00 2.63 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 11 P 0.00 4.08 0.00 2.25 1.92 0.00 3.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.26 0.00 12 A 8.85 4.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 7.98 3.77 0.00 1.80 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.21 2.19 0.00 14 A 7.78 4.05 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 15 R 8.11 3.84 0.00 1.90 2.06 0.00 3.12 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 16 I 8.10 3.86 1.90 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 1.52 0.65 0.91 0.00 0.00 17 E 8.03 3.99 0.00 2.15 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 2.56 2.55 0.00 18 A 8.31 4.05 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 19 E 8.74 3.94 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 20 S 8.19 4.12 0.00 4.03 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 21 V 7.87 3.56 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 1.00 0.00 0.00 0.97 0.00 0.00 22 K 8.17 4.13 0.00 1.89 1.80 0.00 1.79 0.00 0.00 1.66 0.00 0.00 3.33 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.62 7.81 23 A 8.39 4.16 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 24 V 8.15 3.56 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 0.99 0.00 0.00 0.95 0.00 0.00 25 Q 8.18 4.02 0.00 2.31 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 26 E 8.50 4.01 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 27 K 8.14 4.19 0.00 2.11 2.08 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.90 7.81 28 M 8.00 4.28 0.00 2.05 2.34 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.51 0.00 29 A 7.89 4.42 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 30 G 7.77 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 N 7.65 4.30 0.00 2.21 2.15 0.00 0.00 7.07 8.47 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 32 D 8.64 4.70 0.00 2.85 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 33 D 8.27 4.38 0.00 2.92 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 34 P 0.00 4.27 0.00 2.23 2.13 0.00 3.70 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 35 H 8.34 4.16 0.00 3.25 3.61 0.00 5.87 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 8.45 4.06 0.00 3.15 3.24 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 0.00 37 Q 8.52 3.87 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.65 2.62 0.00 38 T 8.12 3.80 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 1.18 0.00 0.00 39 R 7.98 3.75 0.00 1.71 1.82 0.00 3.01 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 40 A 7.70 3.72 0.93 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 0.00 0.00 41 T 7.67 3.71 4.33 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 1.18 0.00 0.00 42 V 7.80 3.55 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.95 0.00 0.00 43 I 7.89 3.89 1.88 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 1.37 0.42 0.88 0.00 0.00 44 K 8.24 3.82 0.00 1.84 1.98 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.44 7.81 45 E 8.18 3.91 0.00 2.27 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 0.00 2.29 2.39 0.00 46 Q 7.85 3.95 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 47 R 8.21 3.95 0.00 1.82 2.10 0.00 3.28 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.79 0.00 48 A 8.18 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 49 E 8.22 3.89 0.00 2.18 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 2.29 2.39 0.00 50 L 7.99 3.91 0.00 1.91 1.67 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.26 4.07 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 52 K 8.20 3.89 0.00 2.00 1.87 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.65 7.81 53 H 8.21 4.10 0.00 3.25 3.40 0.00 5.79 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 54 H 8.26 4.22 0.00 3.37 3.29 0.00 5.67 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.10 3.64 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 1.00 0.00 0.00 0.96 0.00 0.00 56 S 8.38 4.30 0.00 4.04 4.03 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 57 V 8.13 3.70 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 1.33 0.00 0.00 0.87 0.00 0.00 58 L 8.06 3.96 0.00 2.10 1.83 0.83 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 59 W 8.21 4.70 0.00 3.45 3.65 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 0.00 0.00 0.00 60 S 8.60 4.03 0.00 3.98 3.97 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 D 8.19 4.74 0.00 3.05 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 62 Y 7.48 3.46 0.00 1.43 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 63 F 7.91 4.14 0.00 3.25 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 0.00 0.00 0.00 0.00 64 K 7.91 4.65 0.00 1.42 1.48 0.00 1.45 0.00 0.00 1.62 0.00 0.00 2.76 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 1.22 7.81 65 P 0.00 4.43 0.00 2.14 2.18 0.00 3.54 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 2.13 2.29 0.00 66 P 0.00 4.22 0.00 1.95 2.01 0.00 3.36 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.09 0.00 67 H 7.92 4.40 0.00 2.84 3.28 0.00 5.64 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 68 F 7.62 4.42 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 69 E 8.24 4.07 0.00 1.99 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 2.31 2.32 0.00 70 K 8.00 4.03 0.00 1.62 1.51 0.00 1.62 0.00 0.00 1.44 0.00 0.00 2.74 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.30 1.07 7.81 71 Y 8.17 4.89 0.00 3.13 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 P 0.00 4.62 0.00 2.21 2.22 0.00 3.42 0.00 0.00 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.93 0.00 73 E 8.14 4.35 0.00 2.18 2.28 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 2.38 2.29 0.00 74 L 8.16 4.02 0.00 1.85 1.97 0.61 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 75 H 8.25 4.30 0.00 3.22 3.32 0.00 5.68 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 8.04 3.87 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 77 L 8.10 3.84 0.00 1.87 1.86 1.15 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 78 V 7.81 3.38 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 1.02 0.00 0.00 79 N 7.80 3.99 0.00 2.49 2.70 0.00 0.00 7.27 8.07 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 80 D 8.20 4.07 0.00 2.38 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 0.00 0.00 0.00 81 T 7.66 3.48 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 1.22 0.00 0.00 82 L 7.73 3.94 0.00 1.69 1.62 0.76 0.77 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 83 K 8.09 3.90 0.00 1.79 1.78 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.45 7.81 84 A 8.10 4.07 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.15 4.07 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.85 0.00 86 S 8.28 4.10 0.00 4.01 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 87 A 7.99 4.03 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 88 A 8.11 4.23 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 89 K 8.06 3.97 0.00 1.94 2.04 0.00 1.69 0.00 0.00 1.93 0.00 0.00 3.20 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.64 7.81 90 G 7.63 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 0.00 0.00 0.00 91 S 7.23 4.74 0.00 3.86 3.73 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 92 K 8.48 4.24 0.00 1.78 1.84 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.41 7.81 93 D 8.24 4.54 0.00 2.67 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 94 P 0.00 5.01 0.00 2.20 2.10 0.00 3.94 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 2.12 1.99 0.00 95 A 8.57 4.02 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 96 T 8.35 4.02 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 1.22 0.00 0.00 97 G 8.19 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 0.00 0.00 0.00 98 Q 8.35 4.01 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 99 K 8.26 3.84 0.00 1.86 1.95 0.00 1.73 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.28 7.81 100 A 7.99 4.21 1.47 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 0.00 0.00 101 L 8.09 3.97 0.00 1.89 1.74 0.96 0.89 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 0.00 102 D 8.47 4.34 0.00 2.63 2.53 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 0.00 103 Y 7.99 4.22 0.00 3.24 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 0.00 104 I 8.20 3.78 2.04 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 1.50 0.91 0.94 0.00 0.00 105 A 8.28 4.14 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 0.00 106 Q 7.92 4.01 0.00 2.32 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.41 2.61 0.00 107 I 7.91 3.78 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.79 1.10 0.00 0.00 108 D 8.85 4.43 0.00 2.88 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 0.00 109 K 8.33 4.08 0.00 2.06 2.03 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.19 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.58 7.81 110 I 7.61 3.50 1.80 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.51 -0.08 0.00 0.00 111 F 8.46 3.99 0.00 2.88 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 0.00 112 W 8.51 4.27 0.00 3.57 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 0.00 113 E 8.47 4.13 0.00 2.32 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 2.45 2.65 0.00 114 T 7.92 4.12 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 1.36 0.00 0.00 115 K 7.36 4.21 0.00 2.03 1.96 0.00 1.57 0.00 0.00 1.23 0.00 0.00 2.53 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.63 0.57 7.81 116 K 7.26 4.28 0.00 1.84 1.79 0.00 1.81 0.00 0.00 1.81 0.00 0.00 3.13 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.81 1.60 7.81 117 A 8.60 4.19 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