NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.9509 8.3249 119.4269 57.2320 41.1995 174.9526 2 D 4.7952 8.0179 119.4954 52.4967 41.7013 174.0267 3 D 4.8096 8.5788 116.1770 52.8733 41.1583 175.3733 4 V 4.3021 7.5317 119.4680 61.1377 33.4386 174.5619 5 V 4.3705 8.2995 126.4106 60.7962 33.2780 174.8875 6 V 4.5895 8.0817 126.1146 59.3245 33.8053 176.2177 7 S 4.4134 8.8562 118.7967 57.6979 65.0819 175.5446 8 R 4.2753 8.2577 123.0209 59.0653 29.7909 178.1071 9 Q 3.6626 7.9302 118.8372 59.3270 28.9057 178.1739 10 E 3.9555 8.1882 119.4461 59.4070 29.3695 179.3798 11 Q 4.0248 8.1504 118.3482 58.9701 28.6509 178.7924 12 S 4.3760 7.9957 117.8782 61.2402 62.7760 176.3979 13 Y 4.3969 7.2439 118.9045 61.1761 37.5730 178.9673 14 V 3.8034 7.7546 119.2475 66.0780 31.1567 177.9909 15 Q 4.0575 8.5401 118.2447 59.1773 28.6144 179.2590 16 R 4.1199 8.4888 119.3573 59.1847 30.1608 179.2879 17 G 3.7161 8.3775 105.6703 48.0450 0.0000 175.4220 18 M 4.1935 8.2801 120.8845 58.4947 32.3441 178.5711 19 V 3.6744 8.0901 118.5743 65.8182 31.5841 177.7516 20 N 4.3547 8.8569 116.7474 56.2130 38.4078 176.9605 21 F 4.1049 8.3593 121.8894 61.4971 39.4856 177.1374 22 L 3.9962 8.2595 118.4503 57.9691 41.3289 179.3232 23 D 4.3927 8.6832 119.2456 57.2297 40.4871 178.7134 24 E 3.9819 8.1388 118.4104 59.5508 29.9119 178.9320 25 E 3.9808 7.9766 118.6256 59.3667 29.3622 178.9924 26 M 4.1169 8.4603 118.6661 59.2553 32.3571 178.0717 27 H 4.1585 8.4610 116.1665 58.5891 28.5228 177.9331 28 K 4.0913 7.7115 119.7693 59.2491 32.2831 179.0032 29 L 4.2538 7.8441 118.9608 57.6713 41.6967 179.3872 30 V 3.6493 8.1666 118.5632 66.0267 31.3462 178.0917 31 K 3.9844 8.1783 118.1850 59.5061 31.6927 179.1454 32 R 3.9905 7.8997 118.2394 59.6349 30.0593 179.0556 33 F 3.8799 8.2758 116.6942 60.2820 38.9800 177.9380 34 R 4.0021 8.0351 117.7183 59.5512 29.7214 178.7083 35 D 4.4985 8.7821 118.3793 57.7966 40.9087 178.5329 36 M 4.2237 7.6111 117.3091 55.9030 32.0063 177.1880 37 R 4.0783 8.1969 117.2389 56.7566 28.4291 176.9593 38 W 4.9298 7.9039 127.2672 55.0437 29.8275 174.2672 39 N 4.1765 8.3543 115.1561 53.5357 38.8009 175.0764 40 L 3.9102 8.3346 123.3728 53.7911 42.8299 177.7512 41 G 4.0927 8.5559 110.6717 43.1861 0.0000 173.2583 42 P 4.4137 0.0000 0.0000 65.8234 31.2391 179.0864 43 G 4.1752 8.0449 106.2281 46.7747 0.0000 175.5118 44 F 3.7960 7.9927 122.5619 61.2216 39.5445 177.2611 45 V 3.5100 8.0761 118.0504 65.8598 31.1592 177.5898 46 F 4.1024 8.5826 120.7485 61.4449 39.2272 177.1093 47 L 3.5837 7.7847 118.3345 57.5705 41.2720 179.6273 48 L 3.6413 7.2996 118.8794 57.5631 41.4664 179.6502 49 K 3.9367 7.9700 118.5692 59.2136 31.8775 179.3543 50 K 3.9467 7.9264 120.3474 59.2355 32.0070 178.9843 51 V 3.5349 7.5671 118.6230 66.0641 31.4370 177.7087 52 N 4.3346 8.1289 116.0723 56.5773 38.3500 177.7021 53 R 3.6968 8.0144 119.3555 59.1463 30.0936 179.0131 54 E 3.8805 8.5259 118.8466 59.0100 27.7861 179.4348 55 R 3.8881 8.0884 119.1382 59.5383 29.9710 178.0923 56 M 4.4198 7.7983 116.9270 59.1692 32.3747 177.8733 57 M 4.2220 8.2769 118.8645 57.7255 32.0661 178.3888 58 R 3.8993 7.7536 120.6986 57.9547 30.1715 178.0230 59 Y 4.6205 7.0659 114.3628 56.7972 39.3095 177.1377 60 C 4.4018 8.1420 121.5967 60.3782 44.2513 174.3492 61 M 4.0195 8.0432 119.4329 58.5546 31.6044 178.3904 62 D 4.1072 8.3303 118.8608 57.4982 41.0236 178.2495 63 Y 4.5355 8.1158 117.3530 61.3360 37.9172 178.9053 64 A 4.0621 8.3079 121.4798 55.0306 18.4721 179.5136 65 R 3.7143 8.0876 117.3753 60.0431 30.1060 178.5177 66 Y 4.4420 8.1557 116.5218 60.7539 37.6596 178.7066 67 S 4.2085 8.2341 116.6808 61.5903 63.0065 176.5627 68 K 4.0027 8.2815 122.3294 59.0548 31.8762 178.6323 69 K 4.0126 8.3981 120.6015 59.6621 32.1693 178.4148 70 I 3.7101 8.1575 119.0288 64.1297 37.8561 177.7953 71 L 3.9584 7.7079 119.7842 57.8851 41.3970 179.5473 72 Q 3.9149 8.0413 117.8454 59.0247 28.4691 178.7033 73 L 3.9718 8.1772 118.9070 57.6169 41.7566 178.9349 74 K 4.2878 8.2324 115.4959 55.7803 32.3840 176.3281 75 H 3.9557 8.1688 115.7011 56.9759 26.6533 174.5919 76 L 4.7583 8.0698 118.0826 51.8873 43.8159 175.2826 77 P 4.2541 0.0000 0.0000 62.8935 31.7473 176.3135 78 V 4.1995 8.1145 120.4848 61.5704 32.0576 173.9003 79 N 4.8837 8.6316 124.8975 50.6647 40.2843 174.8377 80 K 2.4966 8.4837 117.5663 59.3448 32.0161 178.7589 81 K 3.8172 7.8184 119.3983 59.8241 32.2664 178.7458 82 T 3.9632 8.4296 110.3009 64.6592 68.7536 176.7270 83 L 4.0939 8.3750 122.3263 57.8078 41.6752 179.5054 84 T 4.1622 8.1852 116.0490 66.6350 68.2896 176.9211 85 K 4.0531 8.0030 120.0243 59.6893 31.9592 179.3624 86 M 4.2455 8.2880 119.2399 58.2065 31.7359 179.0324 87 G 3.6365 8.3359 106.1420 47.9656 0.0000 176.0098 88 R 4.0640 8.0997 120.6608 58.8537 29.9322 178.9873 89 F 3.9787 8.3602 120.8075 61.1133 39.3984 177.4301 90 V 3.3761 8.2198 118.4664 65.7011 31.0544 178.1462 91 G 3.6789 7.8870 104.8185 47.9098 0.0000 174.6339 92 Y 4.0493 7.1752 121.9055 60.5170 38.5523 178.4440 93 R 3.5462 7.4583 117.6208 58.6554 30.2622 177.7821 94 N 4.6863 7.7295 114.1912 53.3327 38.6691 176.2069 95 Y 4.1473 7.8273 123.9899 60.6216 38.9143 178.3611 96 G 3.4496 7.9512 106.1370 47.7018 0.0000 175.5979 97 V 3.5095 7.5672 120.4378 65.6312 31.5758 177.8253 98 I 3.3414 7.6435 119.6176 64.4848 36.9187 178.6006 99 R 3.4225 7.3806 118.6918 59.1465 29.5386 179.0498 100 E 3.9844 7.5864 117.0812 59.2744 29.4520 179.0663 101 L 4.1567 7.7586 119.0496 57.7045 41.7786 179.0421 102 Y 4.3286 8.0291 116.8786 60.8120 37.2468 178.0877 103 A 4.3239 7.9774 121.5794 55.5399 18.4623 179.4749 104 D 4.4536 7.9343 117.0791 57.1307 40.8950 179.1692 105 V 3.4195 7.6335 118.6365 65.9452 31.5784 177.6515 106 F 4.3913 8.4612 117.2509 61.1397 38.9809 177.9490 107 R 4.1196 8.0274 114.0268 59.2553 29.1386 178.4183 108 D 4.4115 8.2545 119.1840 56.6492 40.8860 178.0542 109 V 4.1366 7.5891 109.5700 60.0513 32.1576 175.7442 110 Q 3.5200 7.9014 116.4971 55.0934 27.0328 174.1960 111 G 3.5662 6.6060 104.2363 46.4545 0.0000 173.4391 112 F 4.1961 7.4020 119.7619 57.0227 39.1864 177.6834 113 R 3.8660 7.3747 118.9138 56.6732 29.9685 178.0637 114 G 4.2400 8.0075 104.2710 43.5802 0.0000 170.7557 115 P 4.4916 0.0000 0.0000 61.6875 32.0924 175.9137 116 K 4.3860 8.1707 118.2498 56.8128 33.2234 176.5429 117 M 4.0638 8.4321 121.7076 55.2021 32.7920 176.5549 118 T 4.5339 7.8562 113.2562 59.4182 72.8979 175.1793 119 A 3.9344 8.3662 122.5180 55.3564 18.3394 179.6518 120 A 3.9430 7.9307 118.6089 55.7576 18.3836 179.6573 121 M 3.8068 7.7446 116.6062 58.4546 31.8533 179.2820 122 R 3.9842 8.1165 118.3574 58.8481 30.3006 179.0260 123 K 3.9318 8.3348 119.7106 59.6827 32.0484 178.1855 124 Y 4.1035 8.0266 118.4256 60.9626 38.8420 177.7734 125 S 4.4643 8.7207 113.0413 61.0685 62.6112 175.3986 126 S 4.5439 7.7934 115.3830 57.6124 63.5376 174.5436 127 K 3.8598 7.1606 123.4325 55.8881 32.6738 175.7890 128 D 4.4107 8.5348 125.0980 53.8021 41.7334 175.1372 129 P 4.8946 0.0000 0.0000 65.8114 31.5101 178.1793 130 G 3.8599 8.8955 105.5950 47.0154 0.0000 173.8698 131 T 4.4011 8.0616 109.3151 61.1440 69.3745 174.8406 132 F 4.3159 7.9058 121.3879 56.2472 39.6598 173.5623 133 P 4.3784 0.0000 0.0000 63.4434 31.4493 176.8792 134 C 5.0709 8.3738 120.6777 54.5001 44.2550 172.3260 135 K 4.6881 8.0437 121.2659 55.0685 35.2407 175.4016 136 N 4.6043 8.7443 120.2674 53.1823 38.8086 175.0550 137 E 4.0783 8.6500 123.4972 56.5603 29.5406 177.1588 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 F 8.32 4.95 0.00 3.18 3.33 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 2 D 8.02 4.80 0.00 2.76 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 8.58 4.81 0.00 2.77 2.76 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 4 V 7.53 4.30 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 0.85 0.00 0.00 0.96 0.00 0.00 5 V 8.30 4.37 2.07 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 0.90 0.00 0.00 0.92 0.00 0.00 6 V 8.08 4.59 2.07 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 0.83 0.00 0.00 0.94 0.00 0.00 7 S 8.86 4.41 0.00 4.06 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 8 R 8.26 4.28 0.00 1.91 1.91 0.00 3.48 0.00 0.00 3.21 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.55 0.00 9 Q 7.93 3.66 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.68 0.00 0.00 0.00 0.00 0.00 2.41 1.93 0.00 10 E 8.19 3.96 0.00 2.19 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 2.47 2.38 0.00 11 Q 8.15 4.02 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 12 S 8.00 4.38 0.00 3.70 3.81 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 13 Y 7.24 4.40 0.00 3.16 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 14 V 7.75 3.80 2.29 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 1.21 0.00 0.00 1.14 0.00 0.00 15 Q 8.54 4.06 0.00 2.33 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.47 2.70 0.00 16 R 8.49 4.12 0.00 2.09 2.06 0.00 3.28 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.01 0.00 17 G 8.38 3.72 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 0.00 0.00 0.00 18 M 8.28 4.19 0.00 2.08 2.06 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 2.50 2.51 0.00 19 V 8.09 3.67 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 0.98 0.00 0.00 0.92 0.00 0.00 20 N 8.86 4.35 0.00 2.99 2.93 0.00 0.00 6.60 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 21 F 8.36 4.10 0.00 3.26 3.32 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 22 L 8.26 4.00 0.00 1.82 1.96 0.96 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.68 4.39 0.00 2.88 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 24 E 8.14 3.98 0.00 1.96 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 2.36 2.51 0.00 25 E 7.98 3.98 0.00 1.99 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 0.00 1.47 1.70 0.00 26 M 8.46 4.12 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 27 H 8.46 4.16 0.00 3.42 3.36 0.00 5.86 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.71 4.09 0.00 2.03 1.90 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.68 7.81 29 L 7.84 4.25 0.00 1.93 1.88 1.26 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.17 3.65 2.29 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 1.06 0.00 0.00 0.90 0.00 0.00 31 K 8.18 3.98 0.00 2.09 1.89 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.53 7.81 32 R 7.90 3.99 0.00 2.08 1.86 0.00 3.17 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 33 F 8.28 3.88 0.00 3.12 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 34 R 8.04 4.00 0.00 2.07 2.03 0.00 3.18 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.88 0.00 35 D 8.78 4.50 0.00 2.55 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 36 M 7.61 4.22 0.00 2.04 2.30 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 2.77 2.54 0.00 37 R 8.20 4.08 0.00 1.97 2.11 0.00 3.30 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 38 W 7.90 4.93 0.00 3.34 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 39 N 8.35 4.18 0.00 2.83 2.87 0.00 0.00 7.27 7.85 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 40 L 8.33 3.91 0.00 1.40 1.25 0.40 -1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.56 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 42 P 0.00 4.41 0.00 2.30 2.36 0.00 3.73 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 2.09 2.05 0.00 43 G 8.04 4.18 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 0.00 0.00 0.00 44 F 7.99 3.80 0.00 3.18 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 45 V 8.08 3.51 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 1.00 0.00 0.00 0.96 0.00 0.00 46 F 8.58 4.10 0.00 3.21 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 47 L 7.78 3.58 0.00 1.60 1.29 1.11 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.30 3.64 0.00 1.52 1.02 0.58 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.97 3.94 0.00 1.83 1.84 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.53 7.81 50 K 7.93 3.95 0.00 1.09 1.58 0.00 1.02 0.00 0.00 1.31 0.00 0.00 2.89 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.24 1.23 7.81 51 V 7.57 3.53 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 0.98 0.00 0.00 0.95 0.00 0.00 52 N 8.13 4.33 0.00 2.97 2.87 0.00 0.00 7.09 7.75 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 53 R 8.01 3.70 0.00 1.59 1.00 0.00 3.26 0.00 0.00 2.72 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.45 0.00 54 E 8.53 3.88 0.00 1.92 1.94 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 2.30 2.56 0.00 55 R 8.09 3.89 0.00 1.98 2.06 0.00 3.25 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 56 M 7.80 4.42 0.00 2.15 2.08 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 2.64 2.83 0.00 57 M 8.28 4.22 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.74 0.00 58 R 7.75 3.90 0.00 1.84 1.85 0.00 2.75 0.00 0.00 3.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 59 Y 7.07 4.62 0.00 1.76 2.34 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 60 C 8.14 4.40 0.00 3.16 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 61 M 8.04 4.02 0.00 2.03 2.29 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.77 0.00 62 D 8.33 4.11 0.00 2.79 2.90 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 63 Y 8.12 4.54 0.00 3.22 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 64 A 8.31 4.06 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 65 R 8.09 3.71 0.00 1.73 1.73 0.00 2.72 0.00 0.00 3.04 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.42 0.00 66 Y 8.16 4.44 0.00 3.22 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 67 S 8.23 4.21 0.00 4.18 3.99 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 68 K 8.28 4.00 0.00 1.86 1.95 0.00 1.76 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.47 7.81 69 K 8.40 4.01 0.00 2.16 2.06 0.00 1.79 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.74 7.81 70 I 8.16 3.71 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 1.44 1.12 1.00 0.00 0.00 71 L 7.71 3.96 0.00 1.86 1.69 1.03 0.90 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 72 Q 8.04 3.91 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.68 0.00 73 L 8.18 3.97 0.00 1.77 1.73 0.97 0.88 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 74 K 8.23 4.29 0.00 1.74 1.82 0.00 1.83 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.56 7.81 75 H 8.17 3.96 0.00 3.25 3.41 0.00 5.82 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.07 4.76 0.00 1.54 1.54 0.87 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.25 0.00 2.16 2.05 0.00 3.70 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 78 V 8.11 4.20 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 0.96 0.00 0.00 0.94 0.00 0.00 79 N 8.63 4.88 0.00 2.88 2.87 0.00 0.00 6.31 6.57 0.00 0.00 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 K 8.48 2.50 0.00 0.83 1.45 0.00 1.56 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.17 0.67 7.81 81 K 7.82 3.82 0.00 1.78 1.88 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.45 7.81 82 T 8.43 3.96 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 1.19 0.00 0.00 83 L 8.38 4.09 0.00 1.89 1.93 1.17 0.65 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 84 T 8.19 4.16 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 1.26 0.00 0.00 85 K 8.00 4.05 0.00 1.97 1.84 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.65 7.81 86 M 8.29 4.25 0.00 2.13 2.30 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.88 0.00 87 G 8.34 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.10 4.06 0.00 2.06 1.96 0.00 3.21 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 89 F 8.36 3.98 0.00 3.05 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 90 V 8.22 3.38 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 0.24 0.00 0.00 1.09 0.00 0.00 91 G 7.89 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 0.00 0.00 0.00 92 Y 7.18 4.05 0.00 2.20 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 93 R 7.46 3.55 0.00 1.65 1.76 0.00 3.08 0.00 0.00 2.96 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 1.28 0.00 94 N 7.73 4.69 0.00 2.78 2.79 0.00 0.00 6.56 6.79 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 95 Y 7.83 4.15 0.00 3.18 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 7.95 3.45 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 0.00 0.00 0.00 0.00 97 V 7.57 3.51 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 1.04 0.00 0.00 0.91 0.00 0.00 98 I 7.64 3.34 1.64 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.61 0.08 0.00 0.00 99 R 7.38 3.42 0.00 1.59 1.76 0.00 2.99 0.00 0.00 2.92 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.11 0.00 100 E 7.59 3.98 0.00 2.05 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 2.36 2.44 0.00 101 L 7.76 4.16 0.00 1.73 1.69 0.86 0.78 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 0.00 102 Y 8.03 4.33 0.00 3.18 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 0.00 103 A 7.98 4.32 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 0.00 104 D 7.93 4.45 0.00 2.88 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 0.00 105 V 7.63 3.42 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 -0.02 0.00 0.00 0.76 0.00 0.00 106 F 8.46 4.39 0.00 3.48 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 0.00 107 R 8.03 4.12 0.00 2.13 2.27 0.00 2.81 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.71 0.00 108 D 8.25 4.41 0.00 2.90 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 0.00 109 V 7.59 4.14 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 0.77 0.00 0.00 1.18 0.00 0.00 110 Q 7.90 3.52 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.98 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 111 G 6.61 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.40 4.20 0.00 2.72 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 0.00 0.00 0.00 113 R 7.37 3.87 0.00 2.02 2.14 0.00 2.99 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 114 G 8.01 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 0.00 0.00 0.00 0.00 115 P 0.00 4.49 0.00 2.18 2.19 0.00 3.86 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 1.97 0.00 116 K 8.17 4.39 0.00 1.85 1.84 0.00 1.56 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.37 7.81 117 M 8.43 4.06 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.49 0.00 118 T 7.86 4.53 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 1.12 0.00 0.00 119 A 8.37 3.93 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 0.00 120 A 7.93 3.94 1.30 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 0.00 121 M 7.74 3.81 0.00 0.80 1.85 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.25 0.00 122 R 8.12 3.98 0.00 2.00 2.00 0.00 3.14 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 123 K 8.33 3.93 0.00 1.94 2.03 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.46 7.81 124 Y 8.03 4.10 0.00 3.19 3.41 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 0.00 125 S 8.72 4.46 0.00 4.38 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 0.00 126 S 7.79 4.54 0.00 3.93 3.91 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 0.00 127 K 7.16 3.86 0.00 1.71 1.57 0.00 1.39 0.00 0.00 0.61 0.00 0.00 2.71 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.91 1.10 7.81 128 D 8.53 4.41 0.00 2.78 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 0.00 129 P 0.00 4.89 0.00 2.31 2.19 0.00 3.71 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 130 G 8.90 3.86 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 0.00 0.00 0.00 131 T 8.06 4.40 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 1.19 0.00 0.00 132 F 7.91 4.32 0.00 3.24 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 0.00 133 P 0.00 4.38 0.00 2.23 2.12 0.00 4.12 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 2.13 2.08 0.00 134 C 8.37 5.07 0.00 2.99 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 0.00 135 K 8.04 4.69 0.00 1.75 1.71 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.46 7.81 136 N 8.74 4.60 0.00 2.64 2.89 0.00 0.00 7.01 7.66 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 0.00 137 E 8.65 4.08 0.00 1.92 1.78 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 2.28 2.31 0.00