NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6264 8.3049 120.6143 55.3827 33.5151 174.7294 2 K 4.3945 8.8980 126.0973 55.4077 33.7938 174.3440 3 A 5.2850 8.5685 123.8236 50.7977 23.0925 174.5739 4 Y 4.6876 8.9972 120.8111 56.5773 42.7638 173.7785 5 T 4.8562 7.5841 122.1939 61.5689 71.8538 173.1917 6 K 4.4435 8.1846 125.3389 55.0169 36.2982 174.0756 7 Y 5.1248 8.5378 123.0273 56.2013 40.6393 174.8155 8 L 4.5479 9.1403 123.9649 53.2602 44.2174 175.4650 9 T 4.8286 7.8975 119.3891 61.6864 70.9971 173.6862 10 F 4.9157 9.2047 123.7244 55.9760 43.2138 174.0224 11 N 5.6634 8.9552 119.7467 51.6802 39.1581 173.7048 12 T 4.2112 8.2242 113.4193 60.9429 70.1380 176.0299 13 K 4.0663 8.9331 123.8709 58.2289 32.6842 176.9792 14 K 4.7219 7.5535 116.3323 54.0813 35.1673 176.3056 15 R 4.2164 8.5213 119.9088 58.7019 31.2025 176.9095 16 R 5.5296 7.4715 116.4445 53.4532 32.6517 175.0749 17 E 4.6641 8.6390 122.2973 55.1068 33.3800 173.1348 18 L 5.0277 8.7130 127.1261 53.5563 43.9408 175.2882 19 I 4.7228 8.7615 127.8343 59.2843 40.0302 175.3874 20 R 4.0428 8.9211 126.9151 55.9242 30.6414 176.5489 21 I 4.9656 8.3498 114.4511 58.9931 39.1344 177.2670 22 T 3.8115 7.9703 119.8423 67.4267 68.1381 176.0361 23 D 4.3991 8.0295 120.1095 57.2852 40.5072 178.5551 24 E 3.9655 8.1211 118.8892 59.2725 29.4697 179.3691 25 V 3.6311 7.9141 118.3875 65.8652 31.6317 178.2274 26 K 3.9112 8.4082 118.7336 59.3974 31.9128 179.2223 27 K 3.9109 8.3939 119.9173 59.4069 32.0870 178.7652 28 A 4.1660 7.8818 120.8638 54.9085 18.0340 179.8182 29 V 3.3942 7.5933 116.3141 66.0799 31.9880 177.6122 30 E 3.9770 8.1819 119.0714 59.3090 29.2575 178.6033 31 E 3.8641 7.8222 117.8729 59.1922 29.4834 179.2042 32 S 3.7201 7.1793 113.4163 58.9578 63.1015 174.9396 33 E 3.6989 7.5130 118.7478 56.6756 27.3489 174.3925 34 V 3.7989 7.6357 119.8104 62.8079 32.4539 176.8380 35 K 4.2293 8.5521 125.4928 57.7301 32.8620 176.6186 36 E 5.1279 7.8527 117.4936 54.2370 33.2637 175.2922 37 G 4.3862 7.5971 110.2911 45.8513 0.0000 171.2162 38 L 5.1780 7.6084 118.6458 53.0454 45.8380 175.8329 39 C 4.8656 9.3608 122.1911 57.6812 34.4174 172.2171 40 L 4.8843 9.0206 129.9209 53.9631 43.8300 175.4823 41 V 4.9261 8.7797 125.3224 61.3140 34.3901 174.0308 42 S 5.1002 9.0218 122.3854 56.4044 66.1495 172.9333 43 S 4.6970 8.7672 121.6240 58.7379 62.6997 173.6179 44 M 4.5343 8.9479 125.4206 55.8072 32.2527 175.4887 45 H 4.9946 8.1761 115.2648 54.0536 32.5049 173.6171 46 L 4.5148 8.4155 119.2107 55.6069 42.2647 177.7203 47 T 4.8952 7.5924 108.9498 60.8337 70.1916 173.1910 48 S 4.4883 7.9764 113.7088 58.2374 65.3444 173.6337 49 S 4.7471 8.2248 116.3100 57.0445 67.7931 173.1429 50 V 4.7428 8.3437 122.2319 61.6818 32.3622 174.8834 51 I 4.7873 8.5578 120.8817 59.1768 41.5251 174.1613 52 I 5.0452 8.3437 123.1534 60.1703 38.8008 175.0840 53 Q 4.7564 9.3521 125.8928 54.7449 33.6092 173.1696 54 D 5.6872 8.5025 118.7120 51.3273 41.7990 176.2725 55 D 4.7750 8.9211 117.6005 56.5796 41.3026 177.7454 56 E 3.8753 7.9404 120.8730 56.7277 30.9274 177.4357 57 E 3.9227 8.7415 124.4533 58.9896 30.0608 179.1876 58 G 3.6657 8.3086 106.3502 47.8201 0.0000 175.4799 59 L 4.1190 7.9591 120.8100 57.7835 41.6957 179.3018 60 H 4.1672 7.8392 116.5279 58.8572 28.6609 177.4884 61 E 4.2155 8.4462 121.1847 59.1847 29.4649 178.5101 62 D 4.4391 8.3289 119.5499 57.4031 40.9290 178.8608 63 I 3.9227 7.9149 113.6069 63.7599 37.5611 178.2857 64 W 4.3043 8.0368 120.2939 59.6490 28.8892 178.3403 65 E 4.0939 8.5704 118.5616 59.1422 28.8731 179.2228 66 W 4.2346 8.7906 128.8056 60.4928 30.7202 177.9426 67 L 3.6159 8.6707 119.2899 57.7999 40.8378 179.2438 68 E 3.7994 8.2648 119.1545 58.8494 29.3415 178.6440 69 K 3.9485 7.9346 118.9942 59.5868 32.3761 178.3791 70 L 4.0888 7.7259 117.7313 55.8591 43.0431 177.2771 71 A 4.6190 8.1224 120.8821 49.5172 18.7566 173.6202 72 P 4.5958 0.0000 0.0000 60.9033 32.7720 176.9497 73 Y 4.4380 8.6550 122.0766 57.9125 39.2789 175.7204 74 R 4.1156 7.3708 124.6007 53.4300 33.5522 173.8235 75 P 4.0899 0.0000 0.0000 64.8298 31.7595 176.6331 76 D 4.6980 7.4025 116.6482 52.9518 39.8746 176.0354 77 Y 4.3388 7.3179 117.5515 58.3870 38.5840 177.5482 78 K 4.0767 8.8171 121.9599 59.7908 32.1368 179.0081 79 H 4.1199 8.4641 118.2408 59.5148 29.5854 175.9920 80 H 4.9432 8.4830 120.4350 57.3540 29.3947 176.9275 81 R 3.9692 7.9522 117.4274 59.6021 29.2577 178.0979 82 T 4.1465 7.6505 109.2163 62.4301 69.2788 175.6851 83 G 3.8588 8.1991 110.4292 44.9994 0.0000 172.9970 84 E 4.5237 7.8115 120.9282 55.2589 30.5606 176.6727 85 D 5.5866 8.7184 124.8274 53.3943 40.1103 175.9451 86 N 5.0971 8.3058 113.3488 53.8160 38.3391 176.4611 87 G 3.6257 8.6046 108.5442 48.8745 0.0000 175.5316 88 D 4.2199 8.1892 120.6725 56.1551 39.2710 178.4580 89 A 4.0272 8.1712 122.1153 55.1181 18.3206 179.3889 90 H 4.8081 7.8810 115.7659 58.5481 28.8118 177.7828 91 L 3.8673 7.7011 120.7693 57.8155 41.4685 179.8295 92 K 3.6775 8.1848 118.7081 59.0273 31.7081 179.0241 93 N 4.6357 7.9550 118.9817 56.0026 38.6904 176.7456 94 L 3.9169 7.5566 120.6494 57.9682 42.2956 178.0758 95 L 4.0492 7.8645 119.6618 58.6222 42.0762 178.7871 96 T 4.1584 7.8276 106.8366 61.2709 69.3033 171.3874 97 H 4.4377 8.0983 128.4122 55.4272 31.8397 175.5245 98 L 3.8472 8.1994 126.0310 58.1911 40.5563 175.9125 99 Q 4.9777 7.2128 115.5608 55.4199 32.2464 174.0653 100 V 4.6645 8.5735 110.4865 60.0691 36.6227 174.3011 101 V 4.8652 8.3877 122.1446 61.2085 33.9776 174.6135 102 L 5.0484 9.0072 127.6019 52.0990 45.4358 174.2332 103 P 4.9014 0.0000 0.0000 62.7723 33.4508 174.8914 104 I 4.9301 8.6677 122.4140 60.0037 40.1459 174.6964 105 T 4.9035 8.7331 123.8820 60.7913 71.8618 174.3059 106 N 4.4067 10.0132 125.4826 54.5395 36.5891 175.1214 107 G 3.9628 8.6844 102.2622 45.8551 0.0000 173.9864 108 K 4.5508 7.6320 117.3056 53.6495 35.9523 175.5651 109 L 4.3235 8.4826 121.9902 55.4071 42.0842 177.0336 110 D 4.5549 9.0045 125.9300 53.8869 40.4984 174.8284 111 L 4.9094 8.1211 124.6556 52.2050 44.7000 176.8969 112 G 3.8121 9.6904 112.4845 44.3301 0.0000 172.5347 113 P 3.9184 0.0000 0.0000 64.8012 31.0704 177.0695 114 W 4.9891 7.7410 114.6969 55.7854 30.7572 174.8272 115 Q 4.4460 7.6980 117.6412 56.2043 28.8181 175.6447 116 E 4.6588 9.4547 123.9989 54.5074 33.7958 173.9581 117 I 4.7235 8.7674 127.6207 60.4575 38.9028 174.9332 118 F 5.3578 9.5898 125.2732 55.8032 43.3940 173.6540 119 Y 4.5371 9.1776 122.7116 56.2061 40.2251 174.6953 120 A 4.5283 8.5914 131.0639 50.2410 20.2055 175.0509 121 E 3.7558 8.3969 123.8928 56.5045 30.4101 176.8516 122 F 5.2458 8.3176 123.9143 57.3324 41.0382 175.8725 123 D 4.7073 8.0714 117.7230 53.3956 40.5684 175.2334 124 G 4.4654 8.8135 117.4287 46.2811 0.0000 173.0043 125 Q 4.3600 10.0423 121.9521 56.5154 25.6262 172.9189 126 R 4.6807 7.3947 111.7653 54.3663 32.7473 172.0785 127 P 4.8687 0.0000 0.0000 63.0899 31.8371 175.9913 128 K 4.7525 9.5343 123.8111 54.7491 36.9722 175.6779 129 R 5.2098 8.9021 120.4151 54.4863 34.2678 174.6908 130 V 5.0440 8.9395 121.2856 61.1624 34.6940 174.5583 131 V 4.6571 8.8730 127.4204 60.0748 34.1289 174.6640 132 I 4.9066 8.4196 124.4708 59.4956 39.8394 174.3825 133 K 4.8510 9.3348 129.0443 54.5889 35.0078 174.7420 134 I 5.2570 8.9261 128.5039 59.5681 40.6133 174.7276 135 I 4.9784 9.0637 117.8425 59.0503 41.4241 176.1575 136 G 4.0444 7.1843 109.8951 45.4207 0.0000 172.6255 137 E 4.2141 7.9356 121.6488 56.2730 29.6927 176.5558 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 8.30 4.63 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.59 0.00 2 K 8.90 4.39 0.00 1.87 1.72 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.47 7.81 3 A 8.57 5.28 1.18 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 4 Y 9.00 4.69 0.00 3.06 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 5 T 7.58 4.86 3.96 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 0.71 0.00 0.00 6 K 8.18 4.44 0.00 1.71 1.54 0.00 1.48 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.43 7.81 7 Y 8.54 5.12 0.00 2.79 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 8 L 9.14 4.55 0.00 1.34 1.01 1.01 0.46 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 9 T 7.90 4.83 4.05 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 1.17 0.00 0.00 10 F 9.20 4.92 0.00 2.75 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 11 N 8.96 5.66 0.00 2.71 2.70 0.00 0.00 7.37 7.70 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 12 T 8.22 4.21 4.50 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 1.35 0.00 0.00 13 K 8.93 4.07 0.00 1.77 1.89 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.47 7.81 14 K 7.55 4.72 0.00 1.89 1.70 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.32 7.81 15 R 8.52 4.22 0.00 1.72 1.97 0.00 3.05 0.00 0.00 3.30 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 16 R 7.47 5.53 0.00 1.10 0.97 0.00 3.07 0.00 0.00 3.91 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.37 0.00 17 E 8.64 4.66 0.00 1.98 1.74 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 2.32 2.27 0.00 18 L 8.71 5.03 0.00 1.91 1.62 0.59 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 19 I 8.76 4.72 1.87 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.84 1.06 0.00 0.00 20 R 8.92 4.04 0.00 1.71 1.77 0.00 3.22 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.73 0.00 21 I 8.35 4.97 2.01 0.00 0.00 1.00 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 1.62 1.15 0.00 0.00 22 T 7.97 3.81 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 1.17 0.00 0.00 23 D 8.03 4.40 0.00 2.68 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 24 E 8.12 3.97 0.00 2.27 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 2.41 2.43 0.00 25 V 7.91 3.63 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 1.11 0.00 0.00 1.03 0.00 0.00 26 K 8.41 3.91 0.00 2.01 1.82 0.00 1.70 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.60 7.81 27 K 8.39 3.91 0.00 1.91 1.97 0.00 1.63 0.00 0.00 1.66 0.00 0.00 3.22 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.44 7.81 28 A 7.88 4.17 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.59 3.39 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 0.77 0.00 0.00 0.94 0.00 0.00 30 E 8.18 3.98 0.00 2.02 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 2.24 2.29 0.00 31 E 7.82 3.86 0.00 1.77 1.71 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 2.31 2.36 0.00 32 S 7.18 3.72 0.00 3.93 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 7.51 3.70 0.00 2.12 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 2.17 2.31 0.00 34 V 7.64 3.80 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 0.96 0.00 0.00 0.92 0.00 0.00 35 K 8.55 4.23 0.00 1.88 1.80 0.00 1.53 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.45 1.48 7.81 36 E 7.85 5.13 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 2.27 2.21 0.00 37 G 7.60 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 0.00 0.00 0.00 0.00 38 L 7.61 5.18 0.00 1.61 1.53 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 39 C 9.36 4.87 0.00 2.90 2.89 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 40 L 9.02 4.88 0.00 1.79 1.64 0.99 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.78 4.93 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 0.95 0.00 0.00 0.96 0.00 0.00 42 S 9.02 5.10 0.00 3.92 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 43 S 8.77 4.70 0.00 4.14 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 44 M 8.95 4.53 0.00 1.93 2.24 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.60 0.00 45 H 8.18 4.99 0.00 3.24 3.24 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.42 4.51 0.00 1.71 1.77 0.96 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.59 4.90 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 0.99 0.00 0.00 48 S 7.98 4.49 0.00 3.40 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 49 S 8.22 4.75 0.00 3.79 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 50 V 8.34 4.74 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 0.94 0.00 0.00 1.11 0.00 0.00 51 I 8.56 4.79 1.91 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.96 0.95 0.00 0.00 52 I 8.34 5.05 1.93 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 1.40 0.70 0.98 0.00 0.00 53 Q 9.35 4.76 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.22 2.19 0.00 54 D 8.50 5.69 0.00 2.87 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 55 D 8.92 4.77 0.00 2.81 2.89 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 56 E 7.94 3.88 0.00 1.89 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 2.20 2.34 0.00 57 E 8.74 3.92 0.00 2.26 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 2.38 0.00 58 G 8.31 3.67 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 0.00 0.00 0.00 59 L 7.96 4.12 0.00 1.85 1.68 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 60 H 7.84 4.17 0.00 3.32 3.42 0.00 5.63 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 61 E 8.45 4.22 0.00 2.13 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 0.00 2.36 2.43 0.00 62 D 8.33 4.44 0.00 2.84 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 63 I 7.91 3.92 1.74 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.36 0.78 0.00 0.00 64 W 8.04 4.30 0.00 3.66 3.27 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 65 E 8.57 4.09 0.00 2.37 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 2.42 2.58 0.00 66 W 8.79 4.23 0.00 3.36 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 67 L 8.67 3.62 0.00 1.90 1.54 0.42 0.64 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 68 E 8.26 3.80 0.00 2.34 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 2.36 2.41 0.00 69 K 7.93 3.95 0.00 1.86 1.97 0.00 1.88 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.45 7.81 70 L 7.73 4.09 0.00 0.97 1.29 -0.33 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.12 4.62 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.60 0.00 2.21 2.25 0.00 3.41 0.00 0.00 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.89 0.00 73 Y 8.65 4.44 0.00 3.04 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.37 4.12 0.00 0.67 0.76 0.00 2.94 0.00 0.00 2.44 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.28 0.00 75 P 0.00 4.09 0.00 2.07 2.17 0.00 3.44 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.90 0.00 76 D 7.40 4.70 0.00 2.67 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 77 Y 7.32 4.34 0.00 3.03 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.82 4.08 0.00 1.81 1.89 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.46 7.81 79 H 8.46 4.12 0.00 3.17 3.36 0.00 5.87 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 H 8.48 4.94 0.00 3.31 3.46 0.00 5.69 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 R 7.95 3.97 0.00 1.98 2.14 0.00 3.22 0.00 0.00 3.28 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 82 T 7.65 4.15 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 1.21 0.00 0.00 83 G 8.20 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 84 E 7.81 4.52 0.00 1.82 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 2.29 2.21 0.00 85 D 8.72 5.59 0.00 2.95 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 86 N 8.31 5.10 0.00 2.98 3.16 0.00 0.00 5.96 6.92 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 87 G 8.60 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 D 8.19 4.22 0.00 3.17 3.27 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 89 A 8.17 4.03 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.88 4.81 0.00 3.26 3.26 0.00 5.91 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 91 L 7.70 3.87 0.00 1.70 1.55 0.63 0.82 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 92 K 8.18 3.68 0.00 1.11 0.74 0.00 1.39 0.00 0.00 1.02 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.03 1.30 7.81 93 N 7.96 4.64 0.00 2.97 3.14 0.00 0.00 6.68 6.83 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 94 L 7.56 3.92 0.00 1.66 1.81 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 95 L 7.86 4.05 0.00 1.68 1.56 0.27 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 96 T 7.83 4.16 4.35 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 1.30 0.00 0.00 97 H 8.10 4.44 0.00 3.48 3.43 0.00 5.78 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.20 3.85 0.00 1.89 1.91 0.97 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 7.21 4.98 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.69 0.00 0.00 0.00 0.00 0.00 2.22 2.39 0.00 100 V 8.57 4.66 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.98 0.00 0.00 101 V 8.39 4.87 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 0.83 0.00 0.00 0.96 0.00 0.00 102 L 9.01 5.05 0.00 1.57 1.51 0.93 0.72 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 0.00 103 P 0.00 4.90 0.00 2.18 2.16 0.00 3.51 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 104 I 8.67 4.93 1.94 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 1.21 0.64 0.88 0.00 0.00 105 T 8.73 4.90 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 1.20 0.00 0.00 106 N 10.01 4.41 0.00 2.82 2.86 0.00 0.00 7.09 8.31 0.00 0.00 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 G 8.68 3.96 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 0.00 0.00 0.00 108 K 7.63 4.55 0.00 1.89 1.61 0.00 1.65 0.00 0.00 1.62 0.00 0.00 3.14 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.46 7.81 109 L 8.48 4.32 0.00 1.50 1.63 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 110 D 9.00 4.55 0.00 2.65 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 0.00 111 L 8.12 4.91 0.00 1.50 1.51 0.90 0.96 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 0.00 112 G 9.69 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 0.00 113 P 0.00 3.92 0.00 1.27 1.82 0.00 3.66 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 114 W 7.74 4.99 0.00 3.42 3.18 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 0.00 115 Q 7.70 4.45 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.60 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 116 E 9.45 4.66 0.00 2.04 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 1.47 1.47 0.00 117 I 8.77 4.72 1.82 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.72 0.95 0.00 0.00 118 F 9.59 5.36 0.00 2.87 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 Y 9.18 4.54 0.00 2.58 2.39 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 0.00 120 A 8.59 4.53 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.40 3.76 0.00 1.74 1.79 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 2.30 2.56 0.00 122 F 8.32 5.25 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 0.00 123 D 8.07 4.71 0.00 2.74 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 0.00 124 G 8.81 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Q 10.04 4.36 0.00 2.26 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.66 0.00 0.00 0.00 0.00 0.00 2.50 2.30 0.00 126 R 7.39 4.68 0.00 1.86 2.00 0.00 3.00 0.00 0.00 3.37 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.67 0.00 127 P 0.00 4.87 0.00 1.96 2.05 0.00 3.63 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 2.03 2.28 0.00 128 K 9.53 4.75 0.00 1.69 1.46 0.00 1.62 0.00 0.00 1.89 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.01 1.47 7.81 129 R 8.90 5.21 0.00 1.80 1.87 0.00 2.92 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 130 V 8.94 5.04 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 0.96 0.00 0.00 1.01 0.00 0.00 131 V 8.87 4.66 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 0.80 0.00 0.00 0.64 0.00 0.00 132 I 8.42 4.91 1.92 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 1.13 1.52 0.95 0.00 0.00 133 K 9.33 4.85 0.00 1.71 1.59 0.00 1.53 0.00 0.00 1.54 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.40 7.81 134 I 8.93 5.26 2.00 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 1.31 0.62 0.97 0.00 0.00 135 I 9.06 4.98 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.70 0.92 0.00 0.00 136 G 7.18 4.04 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 0.00 0.00 0.00 137 E 7.94 4.21 0.00 1.90 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 2.21 2.25 0.00