NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 R 4.3256 8.2549 119.7069 55.8330 31.5127 176.7510 8 K 4.2309 8.5609 124.4606 56.2929 29.4193 174.3491 9 T 4.6644 7.5079 116.3374 61.1588 73.1189 174.1931 10 S 4.1032 8.8571 120.1079 61.2748 62.5441 174.5020 11 S 4.3158 8.4684 114.9785 58.5160 62.5518 173.1562 12 L 3.4810 7.5238 126.0264 51.9088 40.6445 177.8588 13 S 4.2261 8.7444 119.2478 60.5724 62.7170 176.7808 14 I 3.5796 7.2804 123.0906 64.3122 36.7013 178.1046 15 L 3.9503 7.6828 117.9856 57.2237 41.3978 179.2432 16 A 4.0918 7.6219 119.9765 55.0593 18.5774 178.8927 17 I 3.7680 8.6389 117.3316 63.5811 37.7056 176.7946 18 A 4.4500 7.3980 121.7359 51.2458 19.5838 176.8535 19 G 3.7735 8.3119 106.4539 45.9544 0.0000 174.1817 20 V 4.0484 7.3914 119.3717 61.4316 32.5630 174.9615 21 E 4.7080 8.2936 124.8168 53.4722 31.7898 174.1421 22 P 4.3629 0.0000 0.0000 63.0821 31.8815 175.7494 23 Y 3.7985 9.7596 125.4118 57.7881 39.0239 176.5804 24 Q 4.2143 7.4699 126.3870 54.0779 27.6137 173.3915 25 E 4.3807 8.3532 123.2352 56.9974 29.9428 177.9993 26 K 4.2951 10.7800 123.5843 54.8173 32.5403 175.0144 27 P 3.9844 0.0000 0.0000 65.7470 31.7507 176.9581 28 G 4.1317 7.6815 106.7709 45.4261 0.0000 173.1638 29 E 4.1118 7.7175 119.5010 55.5209 29.8305 177.2514 30 E 4.3393 8.6499 121.5575 55.9435 32.0000 178.3630 31 Y 4.3897 9.1461 120.1476 59.8884 37.4362 178.9447 32 M 3.9517 9.2314 123.9320 54.7808 31.6866 175.3748 33 N 5.0070 8.0918 121.7855 50.3141 41.5816 174.8689 34 E 3.9179 8.7403 119.0262 59.9544 29.1993 179.7369 35 A 4.0809 7.9992 119.7916 55.1539 18.4925 179.6452 36 Q 3.6226 8.8177 117.0210 59.1144 28.7891 178.8752 37 L 4.1232 8.2846 119.7994 57.3788 41.6603 179.3793 38 A 3.9639 8.0614 121.2089 54.9721 18.2831 179.2342 39 H 4.0164 7.8287 116.8595 59.6534 29.9677 177.6659 40 F 3.8898 8.1412 119.3334 59.9121 38.5964 177.8739 41 R 3.7482 8.1458 119.1077 59.1805 29.7797 178.4566 42 R 3.8302 7.8095 118.3399 59.4698 30.0288 178.5143 43 I 3.6300 7.4748 119.3579 64.4130 37.0244 178.4412 44 L 4.2631 8.1996 119.9197 57.9390 41.3913 179.4914 45 E 3.9572 8.5008 118.4406 59.3619 29.4055 179.2971 46 A 4.0108 8.3419 121.0981 54.8549 18.4703 179.5095 47 W 4.3735 8.5624 127.1110 60.6934 30.8563 178.1987 48 R 3.7300 8.3777 118.9008 59.5758 29.5462 178.3022 49 N 4.3899 8.4769 116.4108 56.2197 38.4935 177.5747 50 Q 4.0197 8.1961 119.6755 58.9388 28.8327 178.5587 51 L 3.9626 7.9468 119.9819 57.9189 41.6396 179.8206 52 R 3.8917 8.0749 117.9298 59.4056 29.9915 178.9096 53 D 4.4045 8.0095 118.2474 57.1814 40.6823 178.7061 54 E 3.9763 8.0556 119.3205 59.3346 29.3921 179.4627 55 V 3.5443 7.9630 118.4174 65.9544 31.5225 177.9122 56 D 4.3124 8.0618 118.6640 57.4469 40.6199 178.9009 57 R 3.9376 8.0561 118.5379 59.4283 29.9993 179.2496 58 T 3.7791 8.0869 115.6456 66.7424 68.5305 176.7832 59 V 3.6289 7.9756 120.2468 66.4177 31.4751 178.2083 60 T 3.9156 8.1166 115.5313 66.7240 68.1859 176.2740 61 H 4.0926 8.5441 120.4785 59.5741 29.9271 177.1857 62 M 4.5967 8.4394 122.2642 58.1575 31.6363 178.7964 63 Q 4.1176 8.2102 118.0846 58.7646 28.8122 178.3053 64 D 4.3309 8.0531 120.2578 57.2496 40.5978 178.5801 65 E 3.9234 8.5153 119.1868 59.3394 29.2777 179.2630 66 A 3.8631 7.8339 119.5010 54.4864 18.4001 179.0457 67 A 3.9135 7.2854 118.5915 53.3188 19.4186 177.6221 68 N 4.2528 7.6204 114.5143 52.0820 39.6849 174.5796 69 F 4.7433 8.2207 121.4838 55.2620 40.3831 174.3233 70 P 4.6075 0.0000 0.0000 61.9271 32.2219 175.7371 71 D 4.6344 8.4862 119.5289 53.4573 41.5972 176.1661 72 P 4.1613 0.0000 0.0000 65.9668 31.7185 178.8150 73 V 3.6650 7.8567 116.6191 65.6722 31.8544 176.6096 74 D 4.8335 8.3573 118.3409 54.2829 40.7065 178.4110 75 R 3.8866 7.6522 121.2713 59.5390 30.2010 178.5226 76 A 3.9777 8.0119 119.8679 54.9446 18.4238 179.2382 77 A 4.0544 7.9219 119.0377 54.9909 18.5960 179.5216 78 Q 3.9380 8.0894 118.1814 59.2948 29.1956 177.9008 79 E 3.9758 8.4484 120.6090 59.1709 29.5262 178.3842 80 E 3.9433 8.0923 118.8949 59.4446 29.8036 178.5235 81 E 3.9988 8.2467 119.2120 58.9994 29.6599 178.4873 82 F 4.2182 8.8813 123.0830 60.5299 39.3888 177.3286 83 S 4.2538 8.3922 114.1603 61.3019 62.8001 176.4800 84 L 3.9310 7.7229 122.5534 57.5113 40.8673 179.0982 85 E 3.7913 7.9721 118.3760 59.3673 29.4182 178.9582 86 L 3.7904 7.5378 119.9087 58.3432 41.8711 179.0142 87 R 3.8780 7.9813 116.7184 59.3530 30.4037 178.0777 88 N 4.3558 8.3958 116.8641 56.8476 39.0291 176.3611 89 R 3.8331 8.5265 120.4021 59.9959 29.6361 178.1407 90 D 4.3984 8.1909 117.9866 57.1219 40.6864 179.1142 91 R 3.9342 7.9932 118.9948 59.2225 30.0584 178.7319 92 E 3.9031 8.0857 117.9000 59.4949 29.4674 179.4835 93 R 3.9166 7.8935 117.8513 59.0386 30.0593 179.3298 94 K 3.9298 7.6249 117.8748 59.2041 31.9829 179.0982 95 L 3.8147 7.8362 120.6179 58.2316 41.9617 179.0818 96 I 3.4623 7.9158 120.0599 64.3418 37.0006 178.6495 97 K 3.9716 7.9838 119.2621 59.0199 31.7062 179.4477 98 K 3.9506 7.9392 120.2384 59.3918 32.1467 178.9669 99 I 3.7056 7.8220 120.2897 64.4782 36.7992 178.1382 100 E 3.9737 8.0010 118.1469 59.3799 29.4472 179.0949 101 K 4.1009 8.0127 119.5545 59.8952 32.3980 179.0879 102 T 4.0474 8.2090 116.2758 66.5274 68.3911 176.7850 103 L 4.0557 8.5253 121.1717 57.3343 41.5166 179.4779 104 K 4.1093 7.8029 118.8348 58.9485 32.0033 179.4455 105 K 4.1429 7.9405 118.6031 59.1180 31.9234 179.4704 106 V 3.5454 7.6230 118.2755 66.0508 31.3096 177.6133 107 E 3.9128 7.9661 117.6053 59.2418 29.5461 177.5242 108 D 4.4802 8.4218 115.3865 53.6392 42.3327 175.1801 109 E 3.8691 8.4387 117.0095 58.1614 27.0503 174.0202 110 D 4.8537 8.9891 111.9716 53.6411 42.2194 174.1258 111 F 4.7620 8.5152 118.8633 57.5272 41.3725 175.3193 112 G 3.2969 7.8269 113.9004 44.9739 0.0000 172.4890 113 Y 5.0452 7.2275 115.6456 55.5388 41.3256 174.9005 114 C 4.3869 9.4711 123.7979 59.6591 32.0850 174.0430 115 E 4.1468 9.0972 126.7330 58.8938 29.5389 178.5380 116 S 4.2530 8.1531 113.0546 60.4335 62.7526 173.3665 117 C 4.8661 7.6383 114.5204 55.8629 31.7159 174.7571 118 G 3.7493 8.6070 109.5647 46.9864 0.0000 173.8069 119 V 3.7214 7.2074 119.5823 62.8775 32.7341 174.8647 120 E 4.3478 8.5719 124.0644 55.9135 30.6568 175.8772 121 I 4.1192 8.3113 124.0505 59.9033 38.4797 176.2866 122 G 3.8493 8.6563 114.3450 46.1224 0.0000 174.5366 123 I 3.7384 8.5526 122.6845 64.5122 36.9234 179.2669 124 R 4.0994 8.0466 118.2320 59.0223 29.8813 178.9955 125 R 3.9442 7.8460 118.4640 59.3147 30.2856 178.3274 126 L 4.1854 8.2556 119.0346 57.5116 41.2998 179.1564 127 E 4.2802 8.3176 117.7492 58.7027 29.4015 178.9319 128 A 4.3003 7.4165 120.0510 53.7513 19.8660 178.5492 129 R 4.4086 8.0053 119.3914 53.1776 30.9806 174.2275 130 P 4.8168 0.0000 0.0000 64.2597 31.5600 177.6692 131 T 4.4360 8.0482 112.0905 61.6834 67.5962 174.1080 132 A 4.0783 8.0327 124.0284 53.6409 18.9136 177.3832 133 D 4.7226 8.7547 121.4249 54.4711 42.4931 176.2276 134 L 5.0452 7.4805 116.7418 52.0263 45.4621 176.1225 135 C 4.4409 8.1898 115.3237 57.7588 31.8973 174.5647 136 I 3.6811 8.2188 121.8540 64.6479 36.5975 178.3950 137 D 4.3211 7.9865 119.0105 57.7784 40.8003 178.5265 138 C 4.2191 7.9931 116.6325 62.4755 28.2231 175.9313 139 K 3.9106 8.3919 121.6840 59.8436 31.7522 179.0536 140 T 4.7405 8.1423 117.6005 66.3351 68.3307 176.6179 141 L 3.9485 8.3845 121.0942 57.8151 41.5970 179.5134 142 A 3.9945 8.1897 120.6248 55.3060 18.2659 179.5806 143 E 3.9418 8.0767 116.9220 59.3961 29.3256 179.7917 144 I 3.6858 7.9118 120.0473 64.5032 37.1716 178.4395 145 R 3.9248 8.2563 119.2507 59.5325 29.8064 178.4393 146 E 4.1090 8.3296 118.2961 59.7453 29.4188 179.6527 147 K 3.8824 8.0148 118.0223 60.0352 32.1897 178.8892 148 Q 4.0754 7.5397 118.0330 58.6950 29.1436 177.8359 149 M 4.2172 8.8061 118.8736 58.2531 32.0321 177.1853 150 A 4.3278 8.3085 121.8155 53.6739 18.7816 177.4263 151 G 3.7229 7.9946 111.1859 45.2594 0.0000 173.1295 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 7 R 8.25 4.33 0.00 1.80 1.95 0.00 3.17 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 8 K 8.56 4.23 0.00 1.82 1.78 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.47 7.81 9 T 7.51 4.66 4.39 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 1.22 0.00 0.00 10 S 8.86 4.10 0.00 3.82 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.47 4.32 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 12 L 7.52 3.48 0.00 1.75 1.46 0.85 0.89 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 13 S 8.74 4.23 0.00 3.82 3.95 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 0.00 0.00 0.00 14 I 7.28 3.58 1.49 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.14 0.23 0.00 0.00 15 L 7.68 3.95 0.00 1.70 1.82 0.96 0.57 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 16 A 7.62 4.09 1.28 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 0.00 0.00 0.00 17 I 8.64 3.77 2.03 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 0.84 1.01 0.00 0.00 18 A 7.40 4.45 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 0.00 0.00 19 G 8.31 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 20 V 7.39 4.05 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 0.75 0.00 0.00 0.83 0.00 0.00 21 E 8.29 4.71 0.00 1.94 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 2.19 2.21 0.00 22 P 0.00 4.36 0.00 2.03 2.15 0.00 3.67 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 23 Y 9.76 3.80 0.00 2.60 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 24 Q 7.47 4.21 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.71 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 25 E 8.35 4.38 0.00 2.24 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 0.00 2.40 2.42 0.00 26 K 10.78 4.30 0.00 2.16 1.78 0.00 1.53 0.00 0.00 1.88 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.43 7.81 27 P 0.00 3.98 0.00 2.05 2.05 0.00 3.67 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 28 G 7.68 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 0.00 0.00 0.00 0.00 29 E 7.72 4.11 0.00 2.11 2.00 0.00 0.00 0.00 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 2.44 0.00 30 E 8.65 4.34 0.00 2.16 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 2.33 2.37 0.00 31 Y 9.15 4.39 0.00 2.87 2.67 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 32 M 9.23 3.95 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 1.25 0.00 33 N 8.09 5.01 0.00 2.98 2.96 0.00 0.00 6.14 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 34 E 8.74 3.92 0.00 2.05 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 2.43 0.00 35 A 8.00 4.08 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 36 Q 8.82 3.62 0.00 2.30 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 1.41 1.55 0.00 37 L 8.28 4.12 0.00 1.67 1.67 1.00 1.11 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 38 A 8.06 3.96 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 39 H 7.83 4.02 0.00 3.30 3.37 0.00 5.59 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 40 F 8.14 3.89 0.00 3.03 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 41 R 8.15 3.75 0.00 1.89 2.05 0.00 3.06 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 42 R 7.81 3.83 0.00 2.07 1.91 0.00 3.29 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 1.60 1.78 0.00 43 I 7.47 3.63 1.93 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.37 0.81 0.00 0.00 44 L 8.20 4.26 0.00 1.94 1.79 0.91 1.39 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 45 E 8.50 3.96 0.00 2.22 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 2.33 2.45 0.00 46 A 8.34 4.01 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 47 W 8.56 4.37 0.00 3.53 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 48 R 8.38 3.73 0.00 1.84 2.14 0.00 3.10 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 49 N 8.48 4.39 0.00 2.98 2.86 0.00 0.00 7.07 7.61 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 50 Q 8.20 4.02 0.00 2.51 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 51 L 7.95 3.96 0.00 1.69 1.58 0.26 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 52 R 8.07 3.89 0.00 1.98 1.96 0.00 3.09 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 53 D 8.01 4.40 0.00 2.94 2.71 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 0.00 0.00 0.00 0.00 54 E 8.06 3.98 0.00 2.20 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 2.46 2.47 0.00 55 V 7.96 3.54 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 1.09 0.00 0.00 0.96 0.00 0.00 56 D 8.06 4.31 0.00 2.91 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 57 R 8.06 3.94 0.00 2.00 1.98 0.00 3.13 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 1.65 1.92 0.00 58 T 8.09 3.78 4.37 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 1.09 0.00 0.00 59 V 7.98 3.63 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 1.02 0.00 0.00 60 T 8.12 3.92 4.36 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 1.21 0.00 0.00 61 H 8.54 4.09 0.00 3.31 3.39 0.00 5.60 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 62 M 8.44 4.60 0.00 2.29 2.30 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 2.68 1.81 0.00 63 Q 8.21 4.12 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.77 0.00 64 D 8.05 4.33 0.00 2.82 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 65 E 8.52 3.92 0.00 2.38 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 0.00 2.41 2.56 0.00 66 A 7.83 3.86 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 67 A 7.29 3.91 1.22 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 0.00 0.00 68 N 7.62 4.25 0.00 2.58 2.67 0.00 0.00 7.00 7.07 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 69 F 8.22 4.74 0.00 2.97 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 70 P 0.00 4.61 0.00 2.08 2.01 0.00 3.73 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 71 D 8.49 4.63 0.00 2.86 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 72 P 0.00 4.16 0.00 2.17 2.13 0.00 3.60 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 73 V 7.86 3.66 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 0.80 0.00 0.00 0.94 0.00 0.00 74 D 8.36 4.83 0.00 2.73 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 75 R 7.65 3.89 0.00 1.94 2.04 0.00 3.10 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 76 A 8.01 3.98 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 77 A 7.92 4.05 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 78 Q 8.09 3.94 0.00 2.25 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.75 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 79 E 8.45 3.98 0.00 2.30 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 2.33 2.29 0.00 80 E 8.09 3.94 0.00 2.23 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 2.33 2.34 0.00 81 E 8.25 4.00 0.00 2.26 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 2.47 0.00 82 F 8.88 4.22 0.00 3.38 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 83 S 8.39 4.25 0.00 4.16 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 0.00 84 L 7.72 3.93 0.00 1.81 1.73 0.92 1.15 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 85 E 7.97 3.79 0.00 1.74 1.73 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 2.17 2.45 0.00 86 L 7.54 3.79 0.00 1.60 1.86 0.98 0.95 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 87 R 7.98 3.88 0.00 1.98 1.97 0.00 3.40 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.79 0.00 88 N 8.40 4.36 0.00 2.68 3.04 0.00 0.00 6.91 7.25 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 89 R 8.53 3.83 0.00 1.91 2.06 0.00 3.10 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 90 D 8.19 4.40 0.00 2.86 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 91 R 7.99 3.93 0.00 2.01 1.95 0.00 3.12 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.91 0.00 92 E 8.09 3.90 0.00 2.14 1.92 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 2.35 2.37 0.00 93 R 7.89 3.92 0.00 2.02 1.94 0.00 3.09 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 1.61 1.86 0.00 94 K 7.62 3.93 0.00 1.94 1.82 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.61 7.81 95 L 7.84 3.81 0.00 1.75 1.63 0.75 -0.09 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 96 I 7.92 3.46 1.92 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.53 0.82 0.00 0.00 97 K 7.98 3.97 0.00 1.90 1.83 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.66 1.55 7.81 98 K 7.94 3.95 0.00 1.96 1.89 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.55 7.81 99 I 7.82 3.71 1.87 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.21 0.97 0.00 0.00 100 E 8.00 3.97 0.00 2.10 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 2.47 0.00 101 K 8.01 4.10 0.00 1.84 2.03 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.50 7.81 102 T 8.21 4.05 4.51 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 1.57 0.00 0.00 103 L 8.53 4.06 0.00 1.85 1.71 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 104 K 7.80 4.11 0.00 1.95 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.62 7.81 105 K 7.94 4.14 0.00 2.17 2.17 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.60 1.78 7.81 106 V 7.62 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 0.92 0.00 0.00 0.56 0.00 0.00 107 E 7.97 3.91 0.00 2.01 2.14 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 2.33 2.33 0.00 108 D 8.42 4.48 0.00 2.76 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 0.00 109 E 8.44 3.87 0.00 2.17 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 2.27 2.25 0.00 110 D 8.99 4.85 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 0.00 111 F 8.52 4.76 0.00 2.99 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 0.00 112 G 7.83 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 0.00 0.00 0.00 113 Y 7.23 5.05 0.00 2.88 3.17 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 0.00 114 C 9.47 4.39 0.00 2.75 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 0.00 115 E 9.10 4.15 0.00 1.95 2.00 0.00 0.00 0.00 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 2.40 0.00 116 S 8.15 4.25 0.00 3.83 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 0.00 117 C 7.64 4.87 0.00 3.11 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 0.00 118 G 8.61 3.75 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 0.00 0.00 0.00 119 V 7.21 3.72 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 0.89 0.00 0.00 0.92 0.00 0.00 120 E 8.57 4.35 0.00 1.16 1.58 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 1.92 1.83 0.00 121 I 8.31 4.12 1.66 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.44 0.81 0.00 0.00 122 G 8.66 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 0.00 123 I 8.55 3.74 2.01 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.04 1.12 0.00 0.00 124 R 8.05 4.10 0.00 1.89 2.02 0.00 3.18 0.00 0.00 3.30 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.76 0.00 125 R 7.85 3.94 0.00 1.87 2.05 0.00 3.16 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 126 L 8.26 4.19 0.00 1.73 1.33 0.08 0.59 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 0.00 127 E 8.32 4.28 0.00 2.24 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 2.33 2.85 0.00 128 A 7.42 4.30 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 0.00 129 R 8.01 4.41 0.00 1.85 1.89 0.00 3.24 0.00 0.00 3.44 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 130 P 0.00 4.82 0.00 2.52 2.63 0.00 3.06 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.90 0.00 131 T 8.05 4.44 4.57 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 1.51 0.00 0.00 132 A 8.03 4.08 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 0.00 0.00 133 D 8.75 4.72 0.00 2.79 2.71 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 0.00 0.00 0.00 0.00 134 L 7.48 5.05 0.00 1.57 1.52 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 135 C 8.19 4.44 0.00 3.12 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 0.00 136 I 8.22 3.68 1.86 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 1.63 0.52 0.90 0.00 0.00 137 D 7.99 4.32 0.00 2.75 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 0.00 138 C 7.99 4.22 0.00 2.96 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 0.00 139 K 8.39 3.91 0.00 1.90 1.93 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.49 7.81 140 T 8.14 4.74 4.43 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 1.21 0.00 0.00 141 L 8.38 3.95 0.00 1.91 1.72 1.00 0.94 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 0.00 142 A 8.19 3.99 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 0.00 143 E 8.08 3.94 0.00 2.21 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 2.33 2.59 0.00 144 I 7.91 3.69 2.01 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 1.72 1.66 0.91 0.00 0.00 145 R 8.26 3.92 0.00 1.92 1.99 0.00 3.15 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 1.65 2.00 0.00 146 E 8.33 4.11 0.00 2.19 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 2.34 2.49 0.00 147 K 8.01 3.88 0.00 1.95 2.09 0.00 1.30 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.64 1.49 7.81 148 Q 7.54 4.08 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.05 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 149 M 8.81 4.22 0.00 1.94 2.18 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.55 0.00 150 A 8.31 4.33 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 0.00 151 G 7.99 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