NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 R 4.2660 8.1014 119.0529 55.6550 30.2618 175.5756 -2 G 3.8508 8.5657 114.3339 46.0462 0.0000 172.5306 -1 S 4.1306 8.9840 115.6352 61.8540 63.3339 173.9995 0 H 4.2251 8.1301 118.1056 58.1561 28.2129 177.3465 1 M 3.6986 7.5786 121.4502 58.0362 31.6391 178.2562 2 R 2.9541 6.6977 118.5559 59.6253 30.2104 178.6344 3 T 3.7895 7.5860 114.6837 66.4003 68.4630 176.1461 4 L 3.9938 7.6274 121.8432 58.3273 42.0736 179.1073 5 L 4.1974 8.0975 119.0621 57.7679 41.5250 179.6273 6 I 2.8950 7.6320 119.5527 64.2076 37.0217 178.7047 7 R 3.9580 8.0110 118.8361 59.3002 29.4849 178.3748 8 Y 2.9257 8.3139 119.6177 60.6225 38.6535 178.3166 9 I 3.1866 7.8752 120.8769 64.1905 37.2838 178.5333 10 L 3.5445 7.7498 119.8520 57.2464 41.3734 179.3419 11 W 4.3438 8.2362 128.4277 60.5723 30.6790 178.2775 12 R 3.0550 7.7246 117.9053 58.6333 29.0608 178.6280 13 N 4.8431 7.4093 118.0276 55.3967 39.1381 175.8937 14 D 4.6285 7.5925 116.9733 52.2649 40.4584 175.9689 15 N 3.6073 8.1009 116.6092 53.8086 36.9762 173.6683 16 D 4.6397 8.4036 118.4303 53.8089 41.4501 176.5062 17 Q 4.3065 9.1850 126.5286 59.6786 28.4265 179.0554 18 T 3.9417 8.2637 107.2532 63.4939 68.7915 174.3538 19 Y 4.6467 8.1064 118.8049 57.7722 38.5336 175.3120 20 Y 3.6040 7.7521 122.1905 57.2741 39.7150 173.9219 21 N 4.2234 5.7700 121.3531 50.4950 41.9907 175.0883 22 D 4.4279 8.0817 126.0072 56.4903 40.6019 178.6453 23 D 4.4001 7.9140 119.0128 57.0516 40.9559 178.3188 24 F 4.4390 8.0471 118.8621 59.8278 38.5487 177.4747 25 K 3.9505 7.8646 118.4325 59.9273 31.7654 179.2826 26 K 4.0466 7.9102 115.7879 58.9388 32.1990 178.9908 27 L 4.0054 7.5445 119.3097 57.7372 41.5868 178.9825 28 M 4.4571 7.9802 119.8463 57.5608 31.9094 178.5370 29 L 4.1521 7.6250 117.6045 57.0362 41.7009 178.8561 30 L 4.1634 7.8783 118.7746 56.7051 41.5444 178.5390 31 D 4.4634 8.1846 120.0269 57.3401 40.5754 178.1613 32 E 4.1691 7.6537 115.5823 58.2819 29.5968 178.1986 33 L 4.3217 7.9429 119.1058 54.6272 42.3555 176.5222 34 V 4.3886 7.3060 118.6176 60.5738 34.1311 174.2884 35 D 4.5693 8.5491 126.4718 53.7210 42.1288 176.5502 36 D 4.5375 8.9849 126.4148 57.4451 40.7761 179.4383 37 G 3.5616 8.1332 105.8315 48.0061 0.0000 175.6254 38 D 4.4356 8.0355 121.6323 56.8610 40.6578 179.1582 39 V 3.6671 7.6298 118.5622 65.9400 31.6016 177.7000 40 C 4.1453 7.9501 116.4508 62.9941 27.9566 176.1421 41 T 3.8302 7.8213 117.1506 66.6051 68.0802 176.3703 42 L 3.9424 7.7349 121.6341 58.2406 42.1031 179.0696 43 I 3.6877 8.1403 120.1562 64.0915 37.0373 178.1331 44 K 3.8634 8.4433 120.9082 59.8259 31.9267 178.5902 45 N 4.3585 8.1197 116.5246 56.4797 38.4509 177.3006 46 M 4.0826 8.0474 120.1591 58.5490 31.9128 179.0744 47 R 3.9283 8.0886 118.1105 59.5483 30.0083 179.0916 48 M 4.0864 7.9632 117.8287 57.8907 32.0411 178.0251 49 T 4.1887 8.1338 108.0927 60.8085 69.9289 174.4291 50 L 3.5796 7.3877 121.1719 55.1085 39.6379 173.5216 51 S 4.4068 7.7204 110.6460 56.8117 66.0896 174.8789 52 D 4.6018 8.3088 118.4141 53.4409 39.2415 177.8721 53 G 3.8279 7.8934 108.5473 48.3529 0.0000 174.0615 54 P 4.2491 0.0000 0.0000 64.6548 31.3112 178.5738 55 L 3.9130 7.7350 118.6462 58.2030 41.9188 178.7892 56 L 3.9395 7.8839 117.8425 57.9474 41.8193 178.9671 57 D 4.4778 8.2009 118.7804 57.3441 40.7837 178.8345 58 R 3.9077 8.0839 119.1747 59.4127 29.9292 178.4138 59 L 4.1970 7.9686 117.0631 56.8162 41.7232 178.1807 60 N 4.6069 7.6208 114.5868 53.2297 39.2191 175.5078 61 Q 4.1739 7.2784 120.0520 54.6306 29.4475 174.5247 62 P 4.3259 0.0000 0.0000 63.0036 31.7610 175.9529 63 V 4.2482 8.2231 119.0491 61.6228 33.0850 174.8250 64 N 4.9825 8.8333 124.2205 53.1483 39.6725 174.5078 65 N 4.9405 7.2643 115.3564 50.7392 41.2785 174.8647 66 I 3.3529 8.2871 120.1478 63.9889 37.9267 177.3195 67 E 3.9838 8.1558 119.7375 58.8574 29.5335 178.2980 68 D 4.2913 8.5503 119.5738 57.0291 40.8960 178.3452 69 A 3.9384 7.6350 121.3052 55.0834 18.2654 179.7716 70 K 3.9256 8.0954 116.8762 59.7676 32.1525 179.7430 71 R 3.9233 7.8087 117.8503 59.4817 29.9755 178.7460 72 M 4.0912 8.1600 117.9430 58.6315 32.1240 178.4000 73 I 3.7888 7.9089 119.7073 64.4856 37.3561 178.2846 74 A 4.0866 8.3035 121.7789 55.1704 18.1265 179.5378 75 I 3.6695 8.5000 117.5294 64.2353 38.0312 178.3210 76 S 4.1690 8.1748 115.8540 61.5865 62.7104 176.5868 77 A 3.7231 8.2252 123.5032 55.0474 18.0439 179.9259 78 K 3.9037 8.2221 117.1046 59.4751 32.1650 179.7788 79 V 3.5735 8.0454 118.4495 65.9709 31.4431 177.7858 80 A 4.1649 8.1822 120.5561 55.2306 17.8918 179.6658 81 R 4.3787 7.5711 117.3264 59.0927 30.3696 177.8938 82 D 4.5846 8.1008 115.7827 55.2525 41.2710 177.8785 83 I 3.8816 7.7998 119.0422 61.0819 38.5699 176.1398 84 G 4.0663 7.7579 106.5460 45.7795 0.0000 174.0746 85 E 3.9913 8.5181 122.1561 58.8227 29.9128 178.4103 86 R 4.0594 7.9085 116.3981 58.1791 30.3896 176.9646 87 S 4.1151 7.5715 115.0388 59.1371 63.1160 175.2796 88 E 4.3118 8.4750 127.0679 54.7816 27.8537 174.7032 89 I 4.0990 7.1972 120.7477 59.3569 39.7056 177.5935 90 R 4.1697 7.6937 124.2999 54.2883 28.5265 176.9335 91 W 3.8566 8.0743 123.9082 59.4325 29.2689 177.3449 92 E 4.2267 8.1491 116.8385 59.1225 28.8120 179.0691 93 E 3.8926 8.1665 119.9650 59.5034 29.5687 179.3322 94 S 4.0432 7.6807 114.5992 61.5829 62.8375 176.5842 95 F 4.0516 7.7750 120.4183 60.7248 38.7155 177.7119 96 T 3.9819 8.0052 115.3063 66.7936 68.2890 176.7324 97 I 3.7210 7.5238 121.4178 64.2552 37.2409 177.8374 98 L 3.9508 8.3104 121.5537 58.7529 41.7436 179.3114 99 F 4.7489 8.3895 117.4934 60.4571 38.5964 177.7481 100 R 3.9361 7.8285 117.5637 59.5419 29.9058 178.0015 101 M 4.3578 8.0758 117.8915 56.7803 32.4840 177.5125 102 I 4.6369 7.8207 110.8056 60.4798 38.6891 177.1263 103 E 2.0000 8.3036 120.8376 59.1569 28.8890 178.8790 104 T 3.7715 7.6878 112.3983 64.1819 67.5764 174.4506 105 Y 4.5080 7.8618 117.6244 57.7692 38.0381 177.0432 106 F 4.5990 7.9817 121.5406 61.0755 38.9158 177.1433 107 D 4.4264 8.2748 117.6362 57.6256 40.6298 178.5881 108 D 4.4417 8.1444 118.6056 57.4012 40.8714 178.5526 109 L 4.0208 8.4251 119.8402 58.0473 41.5894 178.9868 110 M 4.1154 8.4638 118.3585 59.0072 32.2474 178.2773 111 I 3.7090 7.7798 119.4155 64.6247 37.1785 177.8143 112 D 4.3782 8.6074 117.8541 57.1922 40.9376 178.1047 113 L 4.0939 7.9793 118.3380 56.4554 42.3294 178.4797 114 Y 4.7242 8.1361 115.1623 57.7789 38.6686 176.1976 115 G 3.7707 7.9064 114.1247 45.7249 0.0000 173.8692 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 R 8.10 4.27 0.00 1.75 1.94 0.00 3.24 0.00 0.00 3.33 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.21 0.00 -2 G 8.57 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 0.00 0.00 0.00 -1 S 8.98 4.13 0.00 3.90 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 0 H 8.13 4.23 0.00 3.18 3.18 0.00 5.70 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 1 M 7.58 3.70 0.00 0.77 0.82 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 2 R 6.70 2.95 0.00 1.49 1.81 0.00 3.08 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.40 0.00 3 T 7.59 3.79 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 1.17 0.00 0.00 4 L 7.63 3.99 0.00 1.71 1.73 1.04 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.10 4.20 0.00 1.91 1.94 1.16 1.26 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 6 I 7.63 2.90 1.87 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.69 0.77 0.00 0.00 7 R 8.01 3.96 0.00 2.23 2.33 0.00 3.29 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 1.75 1.75 0.00 8 Y 8.31 2.93 0.00 2.60 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 9 I 7.88 3.19 1.95 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.71 0.58 0.00 0.00 10 L 7.75 3.54 0.00 1.76 1.55 0.96 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 11 W 8.24 4.34 0.00 3.66 3.35 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 12 R 7.72 3.06 0.00 1.55 1.54 0.00 2.95 0.00 0.00 3.31 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.78 0.00 13 N 7.41 4.84 0.00 2.15 2.65 0.00 0.00 7.06 8.35 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 14 D 7.59 4.63 0.00 2.88 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 15 N 8.10 3.61 0.00 2.64 2.84 0.00 0.00 6.91 8.30 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 16 D 8.40 4.64 0.00 2.94 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 17 Q 9.19 4.31 0.00 2.35 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.70 0.00 0.00 0.00 0.00 0.00 2.49 2.42 0.00 18 T 8.26 3.94 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 1.18 0.00 0.00 19 Y 8.11 4.65 0.00 3.39 3.22 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 20 Y 7.75 3.60 0.00 2.82 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 21 N 5.77 4.22 0.00 1.81 1.42 0.00 0.00 6.99 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 8.08 4.43 0.00 2.57 2.65 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 23 D 7.91 4.40 0.00 2.26 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 24 F 8.05 4.44 0.00 2.66 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 25 K 7.86 3.95 0.00 1.80 1.93 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.61 1.66 7.81 26 K 7.91 4.05 0.00 1.25 1.44 0.00 1.45 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.41 7.81 27 L 7.54 4.01 0.00 0.95 0.83 0.55 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 28 M 7.98 4.46 0.00 2.26 2.41 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.11 2.95 0.00 29 L 7.63 4.15 0.00 1.86 1.71 0.88 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.88 4.16 0.00 2.07 1.77 0.90 1.07 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 31 D 8.18 4.46 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 32 E 7.65 4.17 0.00 2.27 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 0.00 2.57 2.36 0.00 33 L 7.94 4.32 0.00 1.85 1.77 0.93 0.66 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 34 V 7.31 4.39 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 0.78 0.00 0.00 0.98 0.00 0.00 35 D 8.55 4.57 0.00 2.80 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 36 D 8.98 4.54 0.00 2.81 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 37 G 8.13 3.56 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 0.00 38 D 8.04 4.44 0.00 2.77 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 39 V 7.63 3.67 2.27 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 1.15 0.00 0.00 0.99 0.00 0.00 40 C 7.95 4.15 0.00 3.23 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 41 T 7.82 3.83 4.40 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 1.20 0.00 0.00 42 L 7.73 3.94 0.00 1.87 1.83 0.91 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 43 I 8.14 3.69 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 1.67 0.94 0.90 0.00 0.00 44 K 8.44 3.86 0.00 2.10 1.80 0.00 1.51 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.53 7.81 45 N 8.12 4.36 0.00 2.91 2.82 0.00 0.00 7.09 7.69 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 46 M 8.05 4.08 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.60 0.00 47 R 8.09 3.93 0.00 2.00 1.95 0.00 3.27 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.80 0.00 48 M 7.96 4.09 0.00 1.98 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 2.88 0.00 49 T 8.13 4.19 4.20 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 0.00 0.00 1.18 0.00 0.00 50 L 7.39 3.58 0.00 1.72 1.74 0.89 0.74 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 51 S 7.72 4.41 0.00 3.85 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 52 D 8.31 4.60 0.00 2.70 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.89 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 54 P 0.00 4.25 0.00 2.13 2.09 0.00 3.67 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.11 0.00 55 L 7.74 3.91 0.00 1.64 1.69 0.85 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.88 3.94 0.00 1.72 1.68 0.84 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 57 D 8.20 4.48 0.00 2.85 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.08 3.91 0.00 1.93 2.10 0.00 3.14 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 1.63 1.73 0.00 59 L 7.97 4.20 0.00 1.80 1.73 0.92 0.95 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 60 N 7.62 4.61 0.00 2.93 2.86 0.00 0.00 7.00 8.45 0.00 0.00 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 Q 7.28 4.17 0.00 2.19 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.30 0.00 62 P 0.00 4.33 0.00 2.19 2.08 0.00 3.71 0.00 0.00 3.59 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 63 V 8.22 4.25 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 0.63 0.00 0.00 0.93 0.00 0.00 64 N 8.83 4.98 0.00 2.77 2.85 0.00 0.00 6.87 8.16 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 65 N 7.26 4.94 0.00 2.97 2.91 0.00 0.00 5.85 7.79 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 66 I 8.29 3.35 2.05 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 1.55 1.39 0.95 0.00 0.00 67 E 8.16 3.98 0.00 2.12 1.97 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 2.37 2.45 0.00 68 D 8.55 4.29 0.00 2.75 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 69 A 7.64 3.94 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 70 K 8.10 3.93 0.00 2.00 1.89 0.00 1.80 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.74 7.81 71 R 7.81 3.92 0.00 1.99 1.99 0.00 3.13 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 1.66 1.93 0.00 72 M 8.16 4.09 0.00 2.28 2.09 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 2.64 2.66 0.00 73 I 7.91 3.79 2.16 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 1.65 0.74 1.11 0.00 0.00 74 A 8.30 4.09 1.46 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 0.00 0.00 75 I 8.50 3.67 1.95 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 1.54 1.45 1.01 0.00 0.00 76 S 8.17 4.17 0.00 4.20 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 77 A 8.23 3.72 1.24 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 0.00 0.00 78 K 8.22 3.90 0.00 1.90 1.87 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.61 7.81 79 V 8.05 3.57 2.21 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 1.07 0.00 0.00 1.02 0.00 0.00 80 A 8.18 4.16 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 81 R 7.57 4.38 0.00 1.75 2.05 0.00 3.04 0.00 0.00 3.01 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.34 0.00 82 D 8.10 4.58 0.00 2.66 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 83 I 7.80 3.88 2.04 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.63 1.14 0.00 0.00 84 G 7.76 4.07 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 0.00 0.00 0.00 85 E 8.52 3.99 0.00 2.05 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 2.31 2.35 0.00 86 R 7.91 4.06 0.00 1.84 1.98 0.00 3.44 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 87 S 7.57 4.12 0.00 3.95 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 88 E 8.47 4.31 0.00 1.90 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 2.26 2.48 0.00 89 I 7.20 4.10 0.83 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.26 -0.58 0.00 0.00 90 R 7.69 4.17 0.00 1.73 1.94 0.00 3.16 0.00 0.00 3.28 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 91 W 8.07 3.86 0.00 3.21 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 92 E 8.15 4.23 0.00 2.29 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 0.00 2.37 2.39 0.00 93 E 8.17 3.89 0.00 2.17 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 2.25 2.34 0.00 94 S 7.68 4.04 0.00 3.78 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 95 F 7.77 4.05 0.00 3.16 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 96 T 8.01 3.98 4.45 0.00 0.00 0.00 0.00 0.00 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 97 I 7.52 3.72 1.97 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.83 0.95 0.00 0.00 98 L 8.31 3.95 0.00 1.74 1.73 1.06 1.11 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 99 F 8.39 4.75 0.00 3.23 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 0.00 100 R 7.83 3.94 0.00 2.14 2.10 0.00 3.28 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 101 M 8.08 4.36 0.00 2.10 2.29 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 2.85 2.91 0.00 102 I 7.82 4.64 2.04 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.07 1.00 0.00 0.00 103 E 8.30 2.00 0.00 1.18 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 2.16 2.04 0.00 104 T 7.69 3.77 4.08 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 1.03 0.00 0.00 105 Y 7.86 4.51 0.00 3.27 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 0.00 106 F 7.98 4.60 0.00 3.07 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 0.00 107 D 8.27 4.43 0.00 2.71 2.75 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 0.00 108 D 8.14 4.44 0.00 2.98 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 0.00 109 L 8.43 4.02 0.00 2.03 1.83 1.20 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 110 M 8.46 4.12 0.00 2.32 2.18 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.63 0.00 111 I 7.78 3.71 2.05 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 1.43 1.18 0.94 0.00 0.00 112 D 8.61 4.38 0.00 2.70 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 0.00 113 L 7.98 4.09 0.00 1.50 0.84 0.98 0.84 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 0.00 114 Y 8.14 4.72 0.00 2.87 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 0.00 115 G 7.91 3.77 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 0.00 0.00 0.00