NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3148 8.3049 118.1936 53.5809 32.8990 175.1735 2 L 3.3595 8.0369 116.7294 53.7369 38.3534 172.1733 3 T 3.8849 8.4023 113.5326 64.2047 70.0875 174.9451 4 D 4.4796 7.7303 121.1940 51.0357 43.6197 173.4447 5 P 4.2513 0.0000 0.0000 65.6408 31.3622 178.5526 6 I 3.6050 7.7875 117.8276 64.4518 37.1964 177.8716 7 A 3.9237 8.7641 121.8177 55.4048 18.0685 179.1698 8 D 4.2046 7.8834 115.8075 57.6262 41.3298 178.0789 9 M 3.9269 8.0593 118.7191 58.8698 32.2807 177.9407 10 L 3.8978 8.0220 119.1431 58.1784 41.6914 179.9174 11 T 3.8679 7.6571 114.8459 66.5578 68.4107 177.0021 12 R 3.8957 8.2888 118.9282 59.7140 30.3633 178.8105 13 I 3.7892 7.7731 119.1463 64.4081 37.0459 178.3111 14 R 3.8147 7.5088 118.4538 59.3442 29.4569 177.3584 15 N 4.5496 8.0899 115.3851 55.2077 39.0529 176.9866 16 A 4.0129 7.8416 122.4212 55.5459 18.5770 179.5791 17 T 4.1968 7.8946 108.8286 64.5979 68.3195 176.1939 18 R 3.9166 7.4116 118.1321 57.6778 29.9796 177.6283 19 V 4.1639 7.2081 110.8245 60.2685 32.8014 175.7397 20 Y 3.4205 6.6975 114.2158 58.7027 35.0341 170.1224 21 K 4.6183 7.7768 121.0141 53.9612 35.2585 175.4059 22 E 4.4353 8.8739 126.3400 59.2437 30.2799 176.3731 23 S 5.1328 7.7195 109.7294 58.1512 66.0410 173.8136 24 T 4.6730 8.5549 116.3232 62.2124 72.5887 173.6468 25 D 5.4442 8.9643 125.3850 52.9967 42.9221 176.0592 26 V 4.6409 8.2635 118.2739 59.4816 34.9652 171.9721 27 P 3.2875 0.0000 0.0000 62.5810 31.7650 175.6236 28 A 3.9983 8.2352 127.1110 52.1496 18.9997 177.0107 29 S 4.3876 8.3441 116.6201 55.6627 65.1647 173.4606 30 R 3.7574 8.4275 127.3641 60.3334 29.9150 177.7508 31 F 4.2474 8.2914 120.0295 61.3926 39.3259 177.7539 32 K 3.5832 7.9888 118.1983 59.0328 31.8080 179.0597 33 E 3.5379 8.0940 119.0420 59.4851 29.1832 179.3029 34 E 4.2401 7.4539 116.6723 59.1030 29.1502 179.0265 35 I 3.7122 7.1972 118.7680 62.6178 37.2889 177.6392 36 L 4.1244 7.3827 119.6937 56.7002 42.2119 178.4214 37 R 4.3974 8.4302 117.8057 59.1515 28.5943 178.8295 38 I 3.9101 7.4626 119.8949 63.7206 36.8780 178.0541 39 L 4.1098 7.6263 120.7241 57.6660 41.7419 178.6691 40 A 4.3397 8.5132 121.1352 54.5060 18.8343 179.2795 41 R 3.4205 7.9975 116.0680 58.7541 30.1016 177.4619 42 E 4.5012 7.7679 115.5802 55.5652 30.1138 177.0295 43 G 3.9109 8.9358 109.4787 45.4199 0.0000 175.7263 44 F 4.1600 7.3777 118.0464 59.8556 39.5741 175.4278 45 I 4.7268 7.5318 113.0345 59.1490 40.3141 175.7709 46 K 4.1784 8.4074 120.4354 56.7272 32.3697 175.8820 47 G 3.5715 6.7500 104.6729 44.6271 0.0000 171.1781 48 Y 5.8838 7.2876 115.8570 58.6442 41.1258 172.9380 49 E 4.9568 8.5775 112.9735 56.0863 32.2605 176.0559 50 R 4.2361 9.0837 121.3328 57.0426 29.5520 176.1862 51 V 4.4689 8.2441 119.1905 59.9363 34.9028 174.0593 52 D 4.9618 8.4003 118.7845 53.7896 44.5140 176.5341 53 V 4.2641 8.5170 122.3740 62.7960 32.5843 173.1108 54 D 4.2196 9.3007 124.2954 54.5242 37.5831 172.4338 55 G 4.0671 8.2859 113.7849 45.3396 0.0000 171.8324 56 K 3.7988 7.8818 119.1216 55.6929 32.6598 174.1757 57 P 5.0215 0.0000 0.0000 62.7123 33.1651 174.8186 58 Y 5.0144 8.6937 118.9427 56.4086 43.1135 174.1791 59 L 4.9852 8.9117 118.9172 52.9667 44.7019 176.0643 60 R 3.9938 8.6745 125.1991 55.9792 31.5526 175.1518 61 V 4.7732 8.4450 126.2699 61.3279 34.3895 173.6742 62 Y 5.0272 8.7298 126.4332 57.2939 39.1749 175.5962 63 L 4.7760 8.8981 124.7722 53.9099 42.0664 175.9870 64 K 4.7809 8.1011 120.5912 55.0660 35.5099 174.3653 65 Y 5.0396 8.6668 122.6991 55.9758 42.8209 174.7530 66 G 4.0751 8.4680 108.5732 44.7933 0.0000 172.0177 67 P 4.5308 0.0000 0.0000 62.3400 31.8061 176.2488 68 R 3.9950 8.6107 122.5031 57.1064 30.7169 175.0572 69 R 4.6567 8.2525 120.7908 54.3912 33.5175 175.2445 70 Q 4.2458 8.3727 118.6441 55.4796 30.3360 176.2585 71 G 3.9005 8.4230 108.2417 44.0976 0.0000 171.5184 72 P 4.2721 0.0000 0.0000 63.1400 32.3556 175.9029 73 D 4.3253 8.6016 117.9426 55.1821 39.1850 172.4240 74 P 4.6018 0.0000 0.0000 63.1386 31.9495 176.9857 75 R 3.8780 7.5869 119.5988 55.6980 30.1774 175.0542 76 P 4.2794 0.0000 0.0000 63.0786 31.4698 173.8805 77 E 4.6953 8.3263 117.9538 55.6084 32.4234 174.3040 78 Q 4.7271 8.4567 115.7328 54.3376 32.5599 176.7289 79 V 3.4121 8.0093 122.2041 65.0794 32.2413 176.2346 80 I 4.6137 7.1017 119.8346 59.9012 37.7071 174.3997 81 H 4.2552 8.2164 121.9962 57.7910 29.3961 175.4510 82 H 4.1382 7.6569 119.5197 55.2596 32.3185 172.0459 83 I 4.4883 7.8839 126.5546 58.9816 40.1536 174.5022 84 R 4.6187 8.5496 128.4517 54.8149 33.9058 173.9118 85 R 4.6216 8.5392 125.0641 55.7973 30.4575 174.4207 86 I 4.0942 7.2811 122.8020 62.5460 39.7147 175.5607 87 S 3.9508 8.2980 124.2108 58.9530 62.2995 174.3673 88 K 4.5708 8.1633 127.3396 53.7809 34.1970 175.6985 89 P 4.3943 0.0000 0.0000 64.5790 31.4577 177.2059 90 G 3.9514 7.7483 106.9472 44.3962 0.0000 173.9534 91 R 4.8970 6.9707 122.6328 55.7163 32.2845 173.9423 92 R 4.1061 8.0235 122.6406 55.8925 31.3342 176.2402 93 V 4.2774 7.0845 117.5299 61.7436 35.0765 172.9167 94 Y 5.3381 8.4068 124.1825 56.4570 41.4687 174.8485 95 V 4.9893 8.3383 117.7051 58.6771 34.6817 176.1937 96 G 4.1261 9.2660 113.9800 44.4507 0.0000 174.8771 97 V 3.7317 8.4681 119.8591 64.6620 31.1117 178.0182 98 K 4.1701 8.0195 118.1159 58.3084 33.6819 177.3503 99 E 3.8527 9.1221 119.3628 56.1492 28.1009 176.8115 100 I 3.2388 8.9160 118.6889 62.4576 34.9764 171.0436 101 P 4.1561 0.0000 0.0000 60.7073 33.6455 177.0987 102 R 4.3539 7.9759 120.2843 53.8752 28.7257 174.6371 103 V 3.3673 7.6730 119.6994 63.2387 31.0267 171.7197 104 R 3.4876 7.5719 127.6396 56.7536 28.2277 176.9349 105 R 3.5766 7.7736 123.2945 57.6597 26.0180 175.7059 106 G 4.2811 7.8578 113.8109 46.6104 0.0000 172.8889 107 L 3.8210 7.0355 117.6858 57.1546 42.4065 181.1068 108 G 4.3577 7.5361 107.8216 46.6232 0.0000 171.1642 109 I 4.9042 8.5379 119.5846 60.3726 42.7236 175.4539 110 A 4.8743 9.0523 127.9467 50.8192 21.7088 175.5118 111 I 4.5830 8.7442 123.9577 61.9024 38.7100 175.6512 112 L 5.1237 8.9442 125.6607 54.4124 44.4450 174.5973 113 S 5.0263 8.8694 116.7357 57.9664 63.7132 173.0911 114 T 5.2620 9.0229 117.2218 59.4913 71.8897 175.1740 115 S 4.2997 8.8719 115.7521 60.0979 63.1398 174.8696 116 K 4.2622 8.1213 119.6646 55.5606 32.7864 174.6311 117 G 3.6797 7.7092 105.5792 43.4775 0.0000 172.6636 118 V 4.4875 8.2587 120.0906 62.4948 31.8832 175.2021 119 L 5.1215 8.8799 128.0467 53.2281 46.2955 175.3249 120 T 5.1315 7.7393 106.1295 59.9640 71.3914 175.3072 121 D 4.4492 8.6087 122.7314 57.1770 38.8756 179.8341 122 R 3.9610 7.8590 117.6509 59.1530 30.4448 178.2933 123 E 4.0423 8.0982 118.3854 58.8625 29.4018 178.8444 124 A 3.9938 8.2051 120.4184 55.9020 18.3404 179.7738 125 R 3.8612 7.5206 114.6068 59.3045 30.1707 178.4425 126 K 4.0478 8.0786 119.2913 59.6350 32.3083 177.8711 127 L 4.0784 7.9409 115.8665 54.9121 42.2217 177.0227 128 G 3.9975 8.0493 107.5340 46.4569 0.0000 172.9746 129 V 4.6171 7.2901 110.0020 59.8624 37.0540 176.7007 130 G 4.1716 9.8324 110.9370 45.8737 0.0000 172.1757 131 G 3.7607 7.4559 108.1936 44.3550 0.0000 170.7302 132 E 5.0944 8.5746 123.2937 54.3749 30.6264 176.6557 133 L 4.3896 8.5542 130.7740 55.6761 40.2872 177.0919 134 I 3.8569 8.4371 125.0811 62.8055 38.2611 175.1042 135 C 5.1158 7.9813 114.8125 57.7902 33.2926 171.8826 136 E 5.2133 8.4820 117.2762 54.7312 32.4778 175.1762 137 V 4.6609 8.5734 120.8937 60.9475 35.7709 174.8038 138 W 4.6390 7.9364 122.6489 57.6135 28.6837 174.0974 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 4.31 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 2 L 8.04 3.36 0.00 1.83 1.69 0.89 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.40 3.88 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 4 D 7.73 4.48 0.00 2.74 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.25 0.00 2.21 2.06 0.00 3.67 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 2.11 2.16 0.00 6 I 7.79 3.60 2.05 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.52 0.88 0.00 0.00 7 A 8.76 3.92 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 7.88 4.20 0.00 2.92 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 M 8.06 3.93 0.00 2.17 1.97 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 10 L 8.02 3.90 0.00 1.80 1.63 0.84 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.66 3.87 4.34 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 1.18 0.00 0.00 12 R 8.29 3.90 0.00 1.86 2.02 0.00 3.17 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.90 0.00 13 I 7.77 3.79 1.99 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.67 0.83 0.00 0.00 14 R 7.51 3.81 0.00 1.83 2.07 0.00 3.19 0.00 0.00 3.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 15 N 8.09 4.55 0.00 2.91 2.80 0.00 0.00 6.71 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 16 A 7.84 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 17 T 7.89 4.20 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 18 R 7.41 3.92 0.00 1.95 1.92 0.00 3.03 0.00 0.00 3.46 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 19 V 7.21 4.16 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 0.65 0.00 0.00 1.01 0.00 0.00 20 Y 6.70 3.42 0.00 2.93 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.78 4.62 0.00 1.72 1.74 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.41 7.81 22 E 8.87 4.44 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 2.61 2.51 0.00 23 S 7.72 5.13 0.00 3.55 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 24 T 8.55 4.67 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 25 D 8.96 5.44 0.00 2.50 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 26 V 8.26 4.64 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 0.71 0.00 0.00 0.86 0.00 0.00 27 P 0.00 3.29 0.00 1.74 1.75 0.00 3.58 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.79 0.00 28 A 8.24 4.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.34 4.39 0.00 3.74 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 30 R 8.43 3.76 0.00 1.93 1.91 0.00 3.27 0.00 0.00 3.28 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 31 F 8.29 4.25 0.00 3.08 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 32 K 7.99 3.58 0.00 1.92 1.66 0.00 1.73 0.00 0.00 1.53 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.42 7.81 33 E 8.09 3.54 0.00 2.05 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.37 0.00 34 E 7.45 4.24 0.00 1.97 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 2.50 2.57 0.00 35 I 7.20 3.71 1.69 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.33 0.73 0.00 0.00 36 L 7.38 4.12 0.00 1.50 1.85 0.69 0.86 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 37 R 8.43 4.40 0.00 2.15 2.49 0.00 3.10 0.00 0.00 3.57 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.63 0.00 38 I 7.46 3.91 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.06 0.97 0.00 0.00 39 L 7.63 4.11 0.00 2.08 1.81 0.76 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.51 4.34 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.00 3.42 0.00 1.93 2.18 0.00 3.27 0.00 0.00 3.26 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 42 E 7.77 4.50 0.00 2.23 1.91 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 2.37 2.65 0.00 43 G 8.94 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 0.00 0.00 0.00 44 F 7.38 4.16 0.00 3.37 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 45 I 7.53 4.73 2.11 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 1.55 0.92 0.98 0.00 0.00 46 K 8.41 4.18 0.00 1.88 1.87 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.43 7.81 47 G 6.75 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 48 Y 7.29 5.88 0.00 3.12 3.11 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 0.00 0.00 0.00 49 E 8.58 4.96 0.00 2.14 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 0.00 2.53 2.40 0.00 50 R 9.08 4.24 0.00 1.78 2.00 0.00 3.25 0.00 0.00 3.28 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 51 V 8.24 4.47 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 0.99 0.00 0.00 1.06 0.00 0.00 52 D 8.40 4.96 0.00 2.64 2.49 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 53 V 8.52 4.26 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 0.67 0.00 0.00 0.60 0.00 0.00 54 D 9.30 4.22 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 55 G 8.29 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 7.88 3.80 0.00 2.20 2.03 0.00 1.72 0.00 0.00 1.95 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.61 1.53 7.81 57 P 0.00 5.02 0.00 2.10 2.18 0.00 3.62 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 58 Y 8.69 5.01 0.00 2.87 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 59 L 8.91 4.99 0.00 1.47 1.46 0.69 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 60 R 8.67 3.99 0.00 1.95 1.70 0.00 3.01 0.00 0.00 2.85 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 1.30 0.00 61 V 8.45 4.77 2.17 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 0.98 0.00 0.00 0.98 0.00 0.00 62 Y 8.73 5.03 0.00 3.02 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.90 4.78 0.00 1.77 1.26 0.92 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.10 4.78 0.00 1.79 1.54 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.80 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.46 7.81 65 Y 8.67 5.04 0.00 2.94 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 66 G 8.47 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.53 0.00 2.08 2.07 0.00 3.83 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 68 R 8.61 3.99 0.00 1.78 1.87 0.00 3.11 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 69 R 8.25 4.66 0.00 1.80 1.79 0.00 3.23 0.00 0.00 3.41 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 70 Q 8.37 4.25 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.81 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 71 G 8.42 3.90 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 0.00 0.00 0.00 72 P 0.00 4.27 0.00 2.06 2.00 0.00 3.84 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 73 D 8.60 4.33 0.00 2.85 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 74 P 0.00 4.60 0.00 2.24 2.36 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 75 R 7.59 3.88 0.00 1.96 1.72 0.00 3.71 0.00 0.00 3.43 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 76 P 0.00 4.28 0.00 2.21 2.03 0.00 2.95 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.58 0.00 77 E 8.33 4.70 0.00 2.15 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 2.49 2.46 0.00 78 Q 8.46 4.73 0.00 1.97 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.69 0.00 0.00 0.00 0.00 0.00 2.72 2.50 0.00 79 V 8.01 3.41 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 0.61 0.00 0.00 0.96 0.00 0.00 80 I 7.10 4.61 1.74 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 1.45 0.87 0.67 0.00 0.00 81 H 8.22 4.26 0.00 2.64 3.29 0.00 5.93 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 82 H 7.66 4.14 0.00 2.44 1.31 0.00 5.72 0.00 0.00 0.00 0.00 6.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.88 4.49 1.56 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.81 0.77 0.00 0.00 84 R 8.55 4.62 0.00 1.84 1.64 0.00 3.16 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 85 R 8.54 4.62 0.00 1.77 1.77 0.00 3.23 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 86 I 7.28 4.09 2.08 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 1.18 1.04 0.89 0.00 0.00 87 S 8.30 3.95 0.00 3.73 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 88 K 8.16 4.57 0.00 1.81 1.67 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.65 7.81 89 P 0.00 4.39 0.00 2.17 2.16 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 90 G 7.75 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 0.00 0.00 0.00 91 R 6.97 4.90 0.00 1.72 1.82 0.00 3.25 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.35 0.00 92 R 8.02 4.11 0.00 1.58 1.34 0.00 3.56 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 93 V 7.08 4.28 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 0.91 0.00 0.00 0.88 0.00 0.00 94 Y 8.41 5.34 0.00 2.88 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 95 V 8.34 4.99 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 1.20 0.00 0.00 0.97 0.00 0.00 96 G 9.27 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 97 V 8.47 3.73 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 0.77 0.00 0.00 0.99 0.00 0.00 98 K 8.02 4.17 0.00 1.78 1.93 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.47 7.81 99 E 9.12 3.85 0.00 2.16 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 2.30 2.33 0.00 100 I 8.92 3.24 1.89 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 1.44 0.56 0.94 0.00 0.00 101 P 0.00 4.16 0.00 2.06 1.98 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 2.04 2.18 0.00 102 R 7.98 4.35 0.00 1.76 1.86 0.00 3.23 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 1.54 1.58 0.00 103 V 7.67 3.37 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 1.11 0.00 0.00 1.01 0.00 0.00 104 R 7.57 3.49 0.00 1.43 1.58 0.00 3.01 0.00 0.00 2.89 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.42 0.00 105 R 7.77 3.58 0.00 1.83 2.02 0.00 3.48 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 106 G 7.86 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 0.00 0.00 0.00 0.00 107 L 7.04 3.82 0.00 1.69 1.73 0.86 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 108 G 7.54 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 0.00 0.00 0.00 0.00 109 I 8.54 4.90 2.12 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 1.24 1.51 1.16 0.00 0.00 110 A 9.05 4.87 1.26 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 0.00 0.00 111 I 8.74 4.58 1.84 0.00 0.00 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 1.29 0.65 0.90 0.00 0.00 112 L 8.94 5.12 0.00 1.88 1.74 0.97 1.02 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 0.00 113 S 8.87 5.03 0.00 4.19 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 0.00 114 T 9.02 5.26 4.31 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 0.00 0.00 0.00 1.29 0.00 0.00 115 S 8.87 4.30 0.00 3.99 4.02 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 0.00 116 K 8.12 4.26 0.00 1.79 1.89 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.37 7.81 117 G 7.71 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 0.00 118 V 8.26 4.49 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 0.92 0.00 0.00 1.09 0.00 0.00 119 L 8.88 5.12 0.00 1.64 1.57 0.95 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 120 T 7.74 5.13 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 1.26 0.00 0.00 121 D 8.61 4.45 0.00 2.94 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 R 7.86 3.96 0.00 1.83 2.05 0.00 3.23 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 123 E 8.10 4.04 0.00 2.18 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 2.35 2.36 0.00 124 A 8.21 3.99 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 0.00 125 R 7.52 3.86 0.00 2.04 2.04 0.00 3.18 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 126 K 8.08 4.05 0.00 1.92 1.98 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.42 7.81 127 L 7.94 4.08 0.00 1.69 1.71 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 128 G 8.05 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.29 4.62 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 0.80 0.00 0.00 0.95 0.00 0.00 130 G 9.83 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 0.00 0.00 0.00 0.00 131 G 7.46 3.76 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 0.00 0.00 0.00 132 E 8.57 5.09 0.00 2.32 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.93 0.00 133 L 8.55 4.39 0.00 1.77 1.54 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 134 I 8.44 3.86 2.05 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.89 0.94 0.00 0.00 135 C 7.98 5.12 0.00 3.07 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 0.00 136 E 8.48 5.21 0.00 2.19 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 0.00 2.20 2.25 0.00 137 V 8.57 4.66 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 -0.09 0.00 0.00 0.68 0.00 0.00 138 W 7.94 4.64 0.00 3.59 3.23 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 0.00