NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6077 8.0632 120.4232 55.4672 34.2018 173.8952 2 I 3.9924 8.6082 127.7384 60.3688 38.1002 175.3813 3 R 4.0935 8.6208 127.7467 58.7911 31.5605 176.1419 4 F 5.2232 6.9835 111.2117 55.9431 41.4548 172.7998 5 I 4.8248 8.4956 120.3054 59.5222 40.0097 174.8494 6 L 4.7286 8.8841 127.0112 52.9802 45.1473 176.0558 7 I 4.7552 8.3385 122.0473 59.5207 40.0005 174.2757 8 Q 5.0739 8.7244 124.7754 54.1372 32.4973 175.4273 9 N 5.6587 8.2554 117.5351 51.1880 39.2766 175.9686 10 R 4.2152 8.5867 116.0040 58.6013 30.0585 177.4729 11 A 4.4246 8.3266 118.7677 51.9281 19.9921 177.6473 12 G 3.7439 8.5509 104.3536 44.8155 0.0000 173.7447 13 K 4.0335 8.3007 120.4574 56.1696 32.0820 176.8336 14 T 4.1966 8.3166 121.5342 63.8095 68.9412 174.5168 15 R 4.6405 8.5171 122.3654 55.2001 32.5287 175.0431 16 L 4.1891 7.5152 117.8619 54.4278 45.4582 173.5146 17 A 4.6576 8.2057 127.6247 50.9030 20.5508 173.9001 18 K 4.1009 8.1710 122.4709 55.6443 33.4234 175.3139 19 W 5.0468 8.6144 127.2563 55.2655 31.1542 175.5519 20 Y 5.1579 8.8597 119.4428 57.6814 39.0795 175.1195 21 M 4.7668 8.1231 115.1072 53.6033 34.1171 174.3591 22 Q 4.0432 8.3159 119.4668 55.9459 29.1300 175.9397 23 F 5.1357 8.1507 120.8977 54.9949 42.7887 175.1152 24 D 4.6556 8.9661 123.6630 53.5699 42.8117 177.8813 25 D 4.1905 8.3529 119.8070 57.9290 40.7308 178.8047 26 D 4.4570 8.0852 118.6665 57.2068 40.6331 178.8430 27 E 3.8279 7.7831 118.6172 59.1834 29.8154 178.5115 28 K 2.7237 7.8541 119.9484 59.5758 31.9808 178.1240 29 Q 3.8591 8.3257 119.9763 58.9558 29.0075 177.7731 30 K 3.7844 7.8303 120.6165 59.5533 32.1121 178.5392 31 L 3.9949 8.1467 120.7038 58.3350 42.0782 179.0027 32 I 3.6782 7.7789 119.6904 64.3882 36.9126 178.2663 33 E 3.9788 8.3044 119.3416 59.4309 29.1749 179.3244 34 E 4.0101 8.4089 118.5785 59.5932 29.6276 179.5175 35 V 3.3997 8.2754 118.6325 66.2855 31.3819 177.3033 36 H 3.9531 8.1447 117.4444 58.9950 29.6070 176.9197 37 A 3.9147 8.1198 122.7746 54.5591 18.1260 178.8943 38 V 3.9440 7.2654 115.7710 65.1422 32.3057 178.2040 39 V 2.9256 7.2183 117.9014 65.7911 30.9942 177.8950 40 T 3.4937 7.3749 112.5531 64.1807 67.2689 174.9949 41 V 3.9914 6.8888 118.6484 61.6236 31.9906 175.7710 42 R 4.4953 7.4521 121.2010 55.1475 31.2500 176.4454 43 D 4.8792 8.6706 123.2980 53.1573 40.0420 178.6710 44 A 3.3659 8.3528 120.9185 54.4523 17.8806 179.2306 45 K 4.0795 8.7119 116.6807 59.0079 32.5659 176.9731 46 H 4.5087 7.9353 114.6149 55.4415 29.6832 173.5291 47 T 4.5089 8.1427 113.2111 60.7792 69.7306 174.0630 48 N 3.9494 7.6684 118.4991 53.1597 39.1517 174.5548 49 F 5.3891 7.4192 116.2778 55.9485 42.7949 174.9836 50 V 4.6703 8.7326 114.4518 59.3936 36.1090 174.5843 51 E 4.2475 9.1997 123.8926 57.3060 30.1722 176.7455 52 F 4.7008 9.2852 125.8852 56.9714 42.0917 174.6129 53 R 3.2196 7.8070 131.0423 57.6587 28.7288 177.8819 54 N 4.4482 8.1668 122.5558 54.1694 38.1034 174.4850 55 F 5.5242 7.6507 119.9075 56.0847 42.6984 174.0898 56 K 5.4375 9.0184 117.7461 56.3057 37.1313 175.3195 57 I 4.9050 8.8931 121.0254 59.5770 40.0605 175.3415 58 I 4.7606 8.9050 128.7889 60.7253 38.4545 174.7861 59 Y 5.9339 7.7714 120.9458 57.2475 40.6077 173.5701 60 R 4.6210 8.6827 121.0458 54.6291 33.8069 173.9579 61 R 4.7756 8.8269 126.5041 56.5641 31.3320 175.6987 62 Y 4.3847 9.3116 123.0285 56.9296 41.3296 175.9043 63 A 3.6183 8.2174 131.1707 53.6572 17.4218 178.7060 64 G 3.8147 8.7293 109.5944 48.2380 0.0000 172.0280 65 L 4.8283 7.9142 121.5668 53.3270 44.0362 175.0655 66 Y 4.9668 9.0733 122.7569 57.0115 39.8110 174.7503 67 F 4.7649 9.7139 124.4487 56.6089 40.5206 174.5260 68 C 5.3545 8.9812 122.6572 57.9538 30.8231 173.2174 69 I 4.5837 8.7769 124.7733 59.4959 39.5326 174.2029 70 C 4.6265 8.1630 128.7355 58.6927 32.5538 172.8731 71 V 4.7376 8.6398 118.5074 59.1477 36.4068 174.7359 72 D 4.8275 8.6581 121.8817 54.5993 41.3669 178.3260 73 V 3.6597 8.6504 121.3545 66.1690 31.7482 176.8517 74 N 4.7436 8.1303 114.0261 53.2148 36.9864 174.2889 75 D 4.7167 7.5834 117.8924 53.6343 42.4232 176.7603 76 N 4.4517 8.5769 120.0340 53.2831 39.4005 175.4156 77 N 4.3839 8.6143 126.3099 56.6742 38.8663 177.3089 78 L 4.1267 8.0031 119.3986 57.5657 41.6453 178.8868 79 A 3.9173 8.4842 120.9585 55.8687 18.0849 179.2570 80 Y 4.2851 7.8798 113.2093 60.1068 37.5136 177.9749 81 L 4.1521 8.2090 122.0235 57.7024 42.1320 178.3084 82 E 4.2531 8.3122 117.9456 58.9224 29.6644 177.6856 83 A 4.0760 8.5506 120.1932 55.7550 18.3504 179.8090 84 I 3.8600 8.1109 116.1608 64.6590 37.4243 177.9253 85 H 4.3181 8.3236 119.4960 58.7067 29.8089 176.6889 86 N 4.5119 9.0877 118.1895 54.6171 37.3785 177.0895 87 F 4.2179 8.5512 124.2520 61.4272 39.5911 176.9931 88 V 3.0254 7.5971 117.8221 65.9784 31.0233 177.8044 89 E 3.8637 8.0946 118.2238 59.2112 29.1689 179.6518 90 V 3.5559 7.6864 118.3855 65.9580 31.5558 177.9547 91 L 4.1201 7.7472 118.8068 58.0578 41.5839 179.0963 92 N 4.3873 8.3323 116.5115 56.0711 38.4655 176.9158 93 E 4.0037 7.8182 120.5398 59.2036 29.5242 178.2251 94 Y 3.9518 8.1680 118.7289 60.6638 39.0181 177.5986 95 F 4.4134 8.3521 115.6803 56.0876 39.5065 173.1200 96 H 4.0708 7.5022 120.6013 56.1562 30.8464 174.3773 97 N 4.1293 8.8108 124.8369 53.9033 35.9454 174.6442 98 V 3.7830 7.3503 116.5559 62.3530 32.1475 175.2600 99 C 4.6919 8.4399 114.9140 55.8738 32.9780 174.5675 100 E 3.9505 9.0783 118.6494 59.8321 28.7074 179.6008 101 L 4.1375 7.9564 117.9250 58.1261 41.7447 178.8740 102 D 4.3066 7.5858 117.8940 57.7391 40.2577 179.4104 103 L 3.9197 7.5006 118.5670 57.1175 41.3968 179.0665 104 V 3.9163 7.9954 119.0902 65.2435 31.5731 177.9242 105 F 4.1152 8.3733 117.0574 59.8134 39.2358 175.9630 106 N 4.8515 8.4785 117.4630 52.7579 39.0334 176.1527 107 F 4.4403 8.9828 119.4066 59.9117 37.3052 177.0354 108 Y 3.8348 6.1160 116.5543 59.0524 37.6579 177.7475 109 K 4.2208 7.3491 119.1017 57.6228 33.1194 178.8391 110 V 3.7843 7.5312 120.4664 66.7025 31.4388 177.2303 111 Y 4.1532 8.4730 115.9980 61.5018 37.4816 178.8229 112 T 4.0220 7.9851 109.3500 64.5654 69.2867 176.5761 113 V 3.6038 7.6350 121.3540 65.7487 31.5961 177.6909 114 V 3.7384 8.2063 118.0241 66.7057 31.1747 177.7955 115 D 5.4406 8.1657 117.4038 56.1135 40.4667 177.8781 116 E 4.1073 8.4201 120.5238 58.4235 29.6058 177.4610 117 M 4.4904 8.0921 117.1129 54.3326 33.3937 175.6480 118 F 5.2692 7.2853 117.5532 55.9696 43.4847 173.0110 119 L 4.9145 8.8103 126.2091 54.6761 45.0701 175.5513 120 A 4.1027 9.9524 128.0313 53.3896 16.0290 178.4323 121 G 3.5772 6.9519 108.8727 45.8535 0.0000 173.9494 122 E 4.9664 7.2548 118.3913 53.9555 31.9806 175.5456 123 I 4.0452 8.3698 121.6840 61.9689 37.0198 174.4332 124 R 4.3408 7.8368 122.2880 55.6707 32.7764 174.9338 125 E 4.6326 7.7700 118.7639 54.9342 31.6926 176.2656 126 T 4.2127 8.1371 111.8586 62.4066 70.8141 174.9425 127 S 4.1937 8.0556 115.9000 57.9605 62.3394 173.7572 128 Q 3.9875 8.7247 129.7059 59.3602 28.3396 179.3337 129 T 3.8465 7.7817 116.0572 66.6077 68.5713 176.6832 130 K 3.9630 7.7046 119.2865 59.4834 32.1618 179.8750 131 V 3.5711 7.9001 119.4500 64.7857 31.1130 178.5113 132 L 3.9264 8.0768 119.5745 57.3753 41.4026 178.9437 133 K 3.8276 8.2438 119.8914 59.6767 31.9548 178.5520 134 Q 3.9373 8.3317 119.6283 59.3610 28.9118 177.7365 135 L 3.8469 7.4823 118.4796 57.9704 41.6985 179.1448 136 L 4.3265 7.8134 116.9399 56.4981 41.8908 178.6539 137 M 4.1861 7.6386 118.9453 57.8731 32.2841 176.2512 138 L 4.0801 7.4370 116.8874 55.6222 42.4225 176.4134 139 Q 4.1909 8.7882 121.4109 56.8007 28.7019 173.9915 140 S 4.4781 7.5115 109.3697 58.4607 63.7045 174.0314 141 L 4.2348 7.7140 122.2710 53.9031 42.2332 176.3046 142 E 4.0989 8.9255 123.0100 56.7487 29.4277 176.3826 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 8.06 4.61 0.00 2.33 1.97 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.30 0.00 2 I 8.61 3.99 1.36 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.36 0.64 0.00 0.00 3 R 8.62 4.09 0.00 1.05 1.79 0.00 3.03 0.00 0.00 2.89 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.50 0.00 4 F 6.98 5.22 0.00 2.45 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 5 I 8.50 4.82 1.63 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.46 0.69 0.00 0.00 6 L 8.88 4.73 0.00 1.49 1.41 0.19 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.34 4.76 1.57 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.37 0.20 0.00 0.00 8 Q 8.72 5.07 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.69 0.00 0.00 0.00 0.00 0.00 2.18 2.32 0.00 9 N 8.26 5.66 0.00 3.10 3.08 0.00 0.00 6.89 8.96 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 10 R 8.59 4.22 0.00 1.88 2.15 0.00 3.20 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.76 0.00 11 A 8.33 4.42 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 12 G 8.55 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 0.00 0.00 0.00 13 K 8.30 4.03 0.00 1.92 1.74 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.53 7.81 14 T 8.32 4.20 4.21 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 1.18 0.00 0.00 15 R 8.52 4.64 0.00 1.61 1.84 0.00 3.20 0.00 0.00 3.13 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 16 L 7.52 4.19 0.00 1.57 1.24 0.28 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.21 4.66 1.01 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 18 K 8.17 4.10 0.00 1.55 1.33 0.00 1.51 0.00 0.00 1.82 0.00 0.00 3.30 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.14 0.51 7.81 19 W 8.61 5.05 0.00 3.20 3.25 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 20 Y 8.86 5.16 0.00 3.12 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 21 M 8.12 4.77 0.00 2.05 1.76 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.92 0.00 22 Q 8.32 4.04 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 23 F 8.15 5.14 0.00 2.53 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 24 D 8.97 4.66 0.00 2.66 2.57 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 25 D 8.35 4.19 0.00 2.63 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 26 D 8.09 4.46 0.00 2.72 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 27 E 7.78 3.83 0.00 2.19 1.72 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 2.39 2.35 0.00 28 K 7.85 2.72 0.00 1.59 1.50 0.00 0.61 0.00 0.00 0.62 0.00 0.00 2.63 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.81 0.21 7.81 29 Q 8.33 3.86 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.49 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 30 K 7.83 3.78 0.00 1.86 1.85 0.00 1.66 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.64 1.45 7.81 31 L 8.15 3.99 0.00 1.81 1.73 1.05 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 32 I 7.78 3.68 2.04 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 1.47 1.15 0.91 0.00 0.00 33 E 8.30 3.98 0.00 2.21 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 2.32 2.34 0.00 34 E 8.41 4.01 0.00 2.44 2.30 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 2.38 2.58 0.00 35 V 8.28 3.40 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 0.82 0.00 0.00 0.61 0.00 0.00 36 H 8.14 3.95 0.00 3.23 3.50 0.00 5.86 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.12 3.91 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 38 V 7.27 3.94 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 1.02 0.00 0.00 1.10 0.00 0.00 39 V 7.22 2.93 1.72 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 -0.35 0.00 0.00 -0.40 0.00 0.00 40 T 7.37 3.49 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 0.97 0.00 0.00 41 V 6.89 3.99 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 0.83 0.00 0.00 0.91 0.00 0.00 42 R 7.45 4.50 0.00 1.81 2.01 0.00 3.14 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.58 0.00 43 D 8.67 4.88 0.00 2.93 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 44 A 8.35 3.37 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 45 K 8.71 4.08 0.00 1.66 2.05 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.19 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.38 7.81 46 H 7.94 4.51 0.00 3.24 3.31 0.00 5.70 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.14 4.51 4.30 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 1.37 0.00 0.00 48 N 7.67 3.95 0.00 1.47 2.17 0.00 0.00 6.55 8.13 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 49 F 7.42 5.39 0.00 2.96 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 50 V 8.73 4.67 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 0.89 0.00 0.00 1.11 0.00 0.00 51 E 9.20 4.25 0.00 1.91 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 2.37 2.40 0.00 52 F 9.29 4.70 0.00 3.08 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 53 R 7.81 3.22 0.00 1.54 1.09 0.00 3.08 0.00 0.00 3.12 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.50 0.00 54 N 8.17 4.45 0.00 2.49 2.64 0.00 0.00 5.72 7.43 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 55 F 7.65 5.52 0.00 3.20 3.30 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 56 K 9.02 5.44 0.00 2.04 1.97 0.00 1.34 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.39 1.47 7.81 57 I 8.89 4.90 1.90 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.97 0.92 0.00 0.00 58 I 8.91 4.76 1.98 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.95 1.07 0.00 0.00 59 Y 7.77 5.93 0.00 3.08 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 60 R 8.68 4.62 0.00 1.86 2.02 0.00 3.18 0.00 0.00 2.83 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.34 0.00 61 R 8.83 4.78 0.00 2.00 1.75 0.00 3.16 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.80 0.00 62 Y 9.31 4.38 0.00 2.92 2.73 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 63 A 8.22 3.62 1.09 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 64 G 8.73 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 0.00 0.00 0.00 65 L 7.91 4.83 0.00 2.09 1.85 1.01 0.73 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 66 Y 9.07 4.97 0.00 3.09 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 67 F 9.71 4.76 0.00 3.35 3.21 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 68 C 8.98 5.35 0.00 2.83 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 69 I 8.78 4.58 1.75 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.95 0.42 0.00 0.00 70 C 8.16 4.63 0.00 1.64 1.25 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 71 V 8.64 4.74 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 -0.24 0.00 0.00 0.91 0.00 0.00 72 D 8.66 4.83 0.00 2.95 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 73 V 8.65 3.66 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 0.84 0.00 0.00 1.02 0.00 0.00 74 N 8.13 4.74 0.00 2.87 2.91 0.00 0.00 5.99 8.06 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 75 D 7.58 4.72 0.00 3.03 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 76 N 8.58 4.45 0.00 2.73 2.67 0.00 0.00 7.01 6.71 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 77 N 8.61 4.38 0.00 2.34 2.37 0.00 0.00 7.07 6.74 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 78 L 8.00 4.13 0.00 1.70 1.76 0.95 1.19 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 79 A 8.48 3.92 1.15 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 0.00 0.00 0.00 0.00 0.00 80 Y 7.88 4.29 0.00 3.20 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 81 L 8.21 4.15 0.00 2.09 1.91 0.89 0.70 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 82 E 8.31 4.25 0.00 2.10 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 2.48 0.00 83 A 8.55 4.08 1.66 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 84 I 8.11 3.86 2.26 0.00 0.00 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 1.57 1.28 1.15 0.00 0.00 85 H 8.32 4.32 0.00 3.44 3.54 0.00 5.82 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 86 N 9.09 4.51 0.00 2.98 3.12 0.00 0.00 6.67 8.78 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 87 F 8.55 4.22 0.00 3.29 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 88 V 7.60 3.03 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 0.32 0.00 0.00 -0.67 0.00 0.00 89 E 8.09 3.86 0.00 2.15 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 2.23 2.27 0.00 90 V 7.69 3.56 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 0.97 0.00 0.00 91 L 7.75 4.12 0.00 1.80 1.83 0.82 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.33 4.39 0.00 2.73 2.90 0.00 0.00 7.23 7.27 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 93 E 7.82 4.00 0.00 2.16 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 2.49 2.44 0.00 94 Y 8.17 3.95 0.00 2.60 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 95 F 8.35 4.41 0.00 3.18 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 96 H 7.50 4.07 0.00 3.25 3.24 0.00 5.74 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 N 8.81 4.13 0.00 2.89 2.81 0.00 0.00 7.17 7.68 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 98 V 7.35 3.78 2.33 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 0.71 0.00 0.00 0.78 0.00 0.00 99 C 8.44 4.69 0.00 3.03 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 0.00 100 E 9.08 3.95 0.00 2.04 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 2.42 2.46 0.00 101 L 7.96 4.14 0.00 1.70 1.80 0.97 1.27 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 0.00 102 D 7.59 4.31 0.00 2.15 2.03 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 0.00 103 L 7.50 3.92 0.00 1.75 1.68 0.93 0.56 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 0.00 104 V 8.00 3.92 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 0.90 0.00 0.00 0.97 0.00 0.00 105 F 8.37 4.12 0.00 3.07 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 0.00 106 N 8.48 4.85 0.00 3.01 2.94 0.00 0.00 6.53 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 0.00 107 F 8.98 4.44 0.00 3.46 3.59 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 0.00 108 Y 6.12 3.83 0.00 2.71 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 0.00 0.00 0.00 109 K 7.35 4.22 0.00 2.00 1.98 0.00 1.48 0.00 0.00 1.50 0.00 0.00 2.86 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.71 1.50 7.81 110 V 7.53 3.78 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 1.14 0.00 0.00 1.07 0.00 0.00 111 Y 8.47 4.15 0.00 3.11 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 0.00 112 T 7.99 4.02 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 1.30 0.00 0.00 113 V 7.63 3.60 2.38 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 1.07 0.00 0.00 0.64 0.00 0.00 114 V 8.21 3.74 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 1.13 0.00 0.00 0.80 0.00 0.00 115 D 8.17 5.44 0.00 2.81 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 0.00 116 E 8.42 4.11 0.00 2.27 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 2.26 2.35 0.00 117 M 8.09 4.49 0.00 1.55 1.66 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 2.73 2.47 0.00 118 F 7.29 5.27 0.00 3.17 2.73 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 0.00 119 L 8.81 4.91 0.00 1.75 1.49 1.05 0.97 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 0.00 120 A 9.95 4.10 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 0.00 121 G 6.95 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.25 4.97 0.00 1.97 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 2.21 2.39 0.00 123 I 8.37 4.05 1.90 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.85 0.84 0.00 0.00 124 R 7.84 4.34 0.00 1.68 1.83 0.00 3.25 0.00 0.00 3.35 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 125 E 7.77 4.63 0.00 2.18 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 2.22 2.33 0.00 126 T 8.14 4.21 4.21 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 1.15 0.00 0.00 127 S 8.06 4.19 0.00 3.89 3.88 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 0.00 128 Q 8.72 3.99 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 129 T 7.78 3.85 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 0.00 130 K 7.70 3.96 0.00 1.82 1.84 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.43 7.81 131 V 7.90 3.57 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 0.82 0.00 0.00 0.88 0.00 0.00 132 L 8.08 3.93 0.00 1.93 1.75 0.92 0.53 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 0.00 133 K 8.24 3.83 0.00 1.93 2.00 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.46 7.81 134 Q 8.33 3.94 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.47 0.00 0.00 0.00 0.00 0.00 2.50 2.42 0.00 135 L 7.48 3.85 0.00 1.72 1.45 0.43 0.76 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 0.00 136 L 7.81 4.33 0.00 1.80 1.74 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 137 M 7.64 4.19 0.00 2.13 2.05 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 2.60 2.72 0.00 138 L 7.44 4.08 0.00 1.84 1.66 0.91 0.83 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 0.00 139 Q 8.79 4.19 0.00 2.37 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.98 0.00 0.00 0.00 0.00 0.00 2.21 2.40 0.00 140 S 7.51 4.48 0.00 4.00 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 0.00 141 L 7.71 4.23 0.00 1.69 1.66 0.94 0.90 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 0.00 142 E 8.93 4.10 0.00 1.91 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 2.30 2.39 0.00