NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1182 8.0549 114.0566 61.1657 33.0184 174.7071 2 L 4.1964 8.0828 121.7800 51.9544 42.8932 175.8712 3 S 4.5788 9.2005 117.5033 57.4314 66.4565 174.6970 4 E 4.2295 8.8126 121.9704 59.5370 29.3384 178.8992 5 G 3.6173 8.0789 105.2411 47.9068 0.0000 175.4284 6 E 3.9955 8.1409 121.0280 58.8405 29.3656 179.4148 7 W 4.3182 8.4687 119.4585 59.8236 29.0719 178.5803 8 Q 4.1199 8.5791 118.3820 58.9396 28.0116 178.7289 9 L 4.0899 7.8380 119.6445 57.6604 41.6136 179.7740 10 V 3.7299 7.8806 118.1146 66.2328 31.6260 178.2043 11 L 4.2584 8.4687 118.6659 57.5194 41.1954 179.0687 12 H 4.2286 8.2727 118.2697 59.2324 30.1895 177.3237 13 V 3.7420 7.7900 120.9336 64.6169 31.1913 177.9257 14 W 4.0166 8.5844 128.9076 60.2198 30.2494 177.7376 15 A 4.0220 8.0530 119.7321 54.9542 18.0078 179.5055 16 K 3.9588 7.8165 117.3248 59.4097 32.1050 179.5910 17 V 2.7919 7.0607 117.9973 65.7712 31.0344 177.6651 18 E 3.8340 7.5999 116.5495 58.7241 29.2839 178.6943 19 A 4.1803 7.4772 119.9544 53.7934 20.1059 177.6132 20 D 4.6550 7.8307 116.2350 52.1696 42.9250 175.5511 21 V 3.4182 7.8531 123.6657 65.8606 32.0078 176.6597 22 A 4.0493 8.0077 119.9820 55.2471 18.4062 179.6971 23 G 3.4681 8.3577 104.1416 48.2740 0.0000 175.6987 24 H 4.2034 8.2455 118.7125 58.3572 28.6759 178.1924 25 G 3.5293 8.4489 108.0941 47.6381 0.0000 175.4957 26 Q 3.8283 8.1277 122.2081 59.1068 29.1433 178.1802 27 D 4.2914 7.8460 119.4943 57.2477 40.7327 178.8327 28 I 3.6090 7.7412 120.2024 64.5059 37.1885 178.4858 29 L 3.3893 7.6446 119.5797 57.6150 41.2555 179.7469 30 I 3.6683 7.5708 119.7380 64.2068 36.9400 178.4309 31 R 3.8099 7.8938 119.5978 59.1898 29.8608 178.3480 32 L 3.9129 7.8608 120.1986 58.3301 41.5891 179.0738 33 F 4.5684 8.1999 118.0779 60.4357 38.5419 177.8539 34 K 4.0885 8.2975 117.9810 59.3402 32.0504 179.2958 35 S 4.2748 8.0697 114.7860 60.3231 64.0304 174.3828 36 H 4.6717 8.1231 118.5158 51.8713 29.4142 171.7822 37 P 4.4715 0.0000 0.0000 64.5067 30.9127 177.4438 38 E 4.1536 8.2322 116.0629 59.2140 29.5700 179.1122 39 T 3.9219 8.1253 111.7192 64.6521 68.8568 176.3278 40 L 3.7027 7.9772 122.6855 57.6524 41.7679 178.4550 41 E 4.0973 7.8052 117.6210 58.6553 29.6161 178.3057 42 K 4.4389 8.0750 116.6433 57.0100 32.6483 177.3066 43 F 4.5896 8.1524 119.1130 55.6137 39.6259 175.6881 44 D 4.4077 8.5813 124.8923 57.0439 40.8067 178.5070 45 R 3.9338 7.8567 115.1433 57.8979 29.9174 176.9316 46 F 5.0900 7.9211 116.2194 56.8382 40.5439 176.9807 47 K 3.9868 8.2691 120.3262 59.2735 31.8956 177.3618 48 H 4.4892 8.2018 112.1933 56.4026 29.1042 175.1993 49 L 4.1760 7.5424 121.9044 54.4516 42.0178 176.3647 50 K 4.3432 9.7813 123.6556 57.2160 33.9649 177.1661 51 T 4.6302 7.5808 107.7604 59.5808 72.5408 174.7841 52 E 3.8747 8.5422 121.4549 59.3351 29.7929 178.7338 53 A 3.9710 7.9289 120.4770 55.1590 18.2580 179.3242 54 E 3.9650 8.1339 116.3695 59.7007 29.6731 179.1189 55 M 4.1727 8.2797 119.0023 58.4087 31.8189 179.0275 56 K 3.9548 8.1380 117.3818 58.9414 32.2729 178.6705 57 A 4.3822 7.5661 119.0104 52.3479 18.8085 177.2923 58 S 4.1758 7.4569 113.7560 58.0803 62.7173 174.4375 59 E 4.0322 8.8501 129.2161 59.0412 29.4929 177.8551 60 D 4.4345 8.1480 117.9918 57.0685 41.3746 177.7623 61 L 3.6033 8.0360 120.9041 57.9074 42.1522 178.8596 62 K 3.9027 7.8122 119.7023 59.4465 32.2218 178.8936 63 K 4.0253 8.2213 118.8500 59.7875 31.8984 178.8447 64 H 4.4487 8.5822 118.7526 59.1050 29.8152 177.5139 65 G 3.5677 8.2668 107.7719 47.7390 0.0000 175.8511 66 V 3.6319 7.7631 120.3357 65.9687 31.6079 178.2083 67 T 3.8765 7.7430 115.2223 66.6188 68.2884 176.6857 68 V 3.5992 7.9942 120.2823 66.2160 31.5480 178.1818 69 L 4.2501 8.0900 118.5624 57.9745 41.5175 179.6961 70 T 3.9576 8.3976 116.1601 66.5842 68.4226 176.6197 71 A 4.0475 8.0499 122.6566 54.9287 18.3226 179.4873 72 L 3.7803 8.2509 119.2109 58.0535 42.1587 179.3518 73 G 3.2598 8.4177 105.7640 47.7333 0.0000 175.5204 74 A 4.0213 7.6652 121.7553 54.6782 18.5420 179.6821 75 I 3.7740 7.3820 117.9329 64.5767 37.1924 178.4199 76 L 3.9172 7.7606 120.0476 57.8444 41.2552 179.5555 77 K 3.9897 7.7029 115.8611 57.9530 32.2370 178.3423 78 K 4.0539 8.0120 118.6356 55.1960 33.2404 175.9889 79 K 2.0000 8.2799 118.6515 56.3705 29.6730 174.7959 80 G 3.9765 7.7243 105.6549 45.7404 0.0000 173.1297 81 H 4.7107 7.3550 118.8955 55.4010 27.5390 175.4404 82 H 5.1402 7.1873 113.0696 54.7232 29.7390 175.9222 83 E 3.9668 8.3047 122.9216 60.4595 29.0805 178.9940 84 A 4.0450 7.9481 118.4686 55.1519 17.3093 178.9259 85 E 4.1525 8.1087 116.4852 58.9055 29.6934 178.8637 86 L 4.2007 8.2265 120.8667 57.6171 42.1791 178.5133 87 K 3.8328 7.9361 119.4837 59.4381 32.1224 176.9991 88 P 4.2974 0.0000 0.0000 65.2679 31.2412 178.4438 89 L 4.0319 7.5187 117.1638 58.0421 42.0112 178.9183 90 A 4.1031 8.3471 121.0926 55.2508 18.3378 179.6331 91 Q 3.7926 8.1504 116.8394 59.0466 28.7324 179.2583 92 S 3.9922 8.1559 115.2807 61.8000 63.1001 176.2779 93 H 4.0883 8.5933 119.7527 58.1279 27.4831 177.7673 94 A 3.1027 7.7856 122.8995 54.7976 18.0535 179.4603 95 T 3.7726 7.1529 106.0214 62.5752 69.4133 175.5465 96 K 4.1770 7.4053 120.5460 58.3156 33.2755 176.9899 97 H 4.2746 8.3139 114.4182 56.3386 29.3573 175.3756 98 K 3.7499 6.9964 114.0627 57.2825 29.1463 176.3248 99 I 4.2245 8.0464 119.2307 58.8755 38.7607 175.1512 100 P 4.7195 0.0000 0.0000 62.2683 32.0904 177.5976 101 I 3.4278 9.3565 123.0335 64.4576 36.8593 178.7703 102 K 3.7090 7.8577 119.9063 59.6554 31.9767 178.2718 103 Y 4.0335 7.8514 116.6232 60.7346 37.7085 178.2940 104 L 4.1964 7.8694 120.2977 57.5205 41.6452 179.0157 105 E 3.9892 7.8822 119.0976 59.2001 29.6400 178.7091 106 F 4.4992 7.8923 117.9852 60.7209 38.9095 177.5278 107 I 3.8206 8.1494 118.3019 63.9791 37.7411 178.0105 108 S 4.1851 8.2248 116.2604 61.8306 62.6486 176.5560 109 E 4.0626 8.3894 120.8873 59.4231 29.2052 179.3518 110 A 4.0235 8.0756 120.8595 55.0436 18.3126 179.8071 111 I 3.6788 8.0684 118.5196 64.5723 37.2384 178.6707 112 I 3.7626 7.8292 120.6189 64.6594 37.0444 177.7962 113 H 4.1002 8.4909 119.2224 59.4325 29.6796 177.4385 114 V 3.5132 7.9221 119.7926 65.9891 31.3947 177.8929 115 L 3.7885 8.0285 119.0546 57.8453 41.0363 179.0559 116 H 4.3565 7.8916 117.2652 59.5943 29.9706 177.2647 117 S 4.1801 7.7466 115.3792 61.0442 62.7297 176.0470 118 R 4.2801 7.6578 118.1152 56.4594 31.4999 176.2694 119 H 4.9218 8.2951 116.8468 54.0706 29.8990 172.8606 120 P 4.1288 0.0000 0.0000 66.1729 31.8550 179.4109 121 G 3.9870 8.1128 106.7494 48.0156 0.0000 173.4334 122 D 4.9019 8.1525 117.0721 54.0847 42.3745 176.0171 123 F 4.9683 8.3964 121.1663 56.7296 39.2031 174.1666 124 G 3.9150 7.4792 110.0441 43.4276 0.0000 171.8154 125 A 3.8916 8.4595 120.9783 55.3646 18.2207 179.5357 126 D 4.1745 7.9320 116.6441 56.6466 39.4376 178.5759 127 A 3.9453 7.6831 121.8516 54.5633 18.4325 179.2169 128 Q 3.3334 7.9030 118.7114 58.9627 29.0712 178.7173 129 G 3.5018 8.1547 106.7357 47.6873 0.0000 175.5509 130 A 3.8810 7.7771 122.9048 55.0303 18.3451 179.4126 131 M 4.0343 8.3980 117.1299 58.6737 32.3535 177.9338 132 N 4.3143 8.3542 117.3092 56.7464 39.1794 177.0083 133 K 3.9267 8.0953 119.6073 59.3083 32.0806 179.2463 134 A 3.8589 7.9383 121.0594 55.1652 18.3089 179.7620 135 L 4.1006 8.1790 117.4871 57.7433 41.5563 179.5517 136 E 4.0811 8.2818 118.9192 59.0308 29.3972 178.9113 137 L 3.9795 8.1371 120.6108 57.9244 42.1597 178.7452 138 F 4.1645 8.3888 120.6411 61.6015 39.2937 177.4496 139 R 3.5890 8.1266 117.6279 58.8124 29.9014 179.0225 140 K 3.8756 8.3547 119.9692 59.5436 32.0708 178.7303 141 D 4.3610 8.2204 119.2856 57.2893 40.6316 178.8410 142 I 3.5589 7.5280 120.1469 64.2231 36.9595 178.2718 143 A 3.6447 8.0487 121.7005 55.0359 18.0896 179.5670 144 A 3.9410 7.8911 119.0038 55.1954 18.4141 180.0723 145 K 4.0114 7.8293 117.2254 59.7618 32.0535 179.1629 146 Y 4.0832 8.5176 117.3785 60.9886 37.7825 178.5759 147 K 3.9666 8.4919 120.7809 59.3699 32.0452 178.2715 148 E 3.9231 7.8112 118.1570 59.4713 29.7560 178.5970 149 L 4.3278 7.7950 116.0217 55.7082 41.7240 177.9843 150 G 3.8264 8.0718 107.3014 45.7484 0.0000 173.6703 151 Y 4.2015 7.6842 114.9996 58.4303 39.0597 177.7227 152 Q 3.4313 7.3595 120.0454 57.1053 26.2967 176.5847 153 G 4.0100 8.7638 111.4882 45.2596 0.0000 171.0683 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 V 8.05 4.12 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 0.97 0.00 0.00 2 L 8.08 4.20 0.00 0.63 0.73 0.48 -0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.20 4.58 0.00 4.01 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.81 4.23 0.00 2.19 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 2.44 2.54 0.00 5 G 8.08 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.14 4.00 0.00 2.01 1.76 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 2.22 2.27 0.00 7 W 8.47 4.32 0.00 3.54 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 8 Q 8.58 4.12 0.00 2.31 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.65 0.00 9 L 7.84 4.09 0.00 1.89 1.75 0.92 0.79 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 10 V 7.88 3.73 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 1.19 0.00 0.00 0.88 0.00 0.00 11 L 8.47 4.26 0.00 1.85 1.81 0.94 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.27 4.23 0.00 3.26 3.47 0.00 5.95 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.79 3.74 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 0.95 0.00 0.00 0.80 0.00 0.00 14 W 8.58 4.02 0.00 3.60 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 15 A 8.05 4.02 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 16 K 7.82 3.96 0.00 1.62 1.63 0.00 1.64 0.00 0.00 1.46 0.00 0.00 2.71 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.31 1.50 7.81 17 V 7.06 2.79 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 -0.03 0.00 0.00 0.17 0.00 0.00 18 E 7.60 3.83 0.00 2.02 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 2.26 2.19 0.00 19 A 7.48 4.18 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 20 D 7.83 4.65 0.00 2.70 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.85 3.42 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 1.02 0.00 0.00 0.88 0.00 0.00 22 A 8.01 4.05 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 23 G 8.36 3.47 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 24 H 8.25 4.20 0.00 3.24 3.21 0.00 5.82 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 25 G 8.45 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.13 3.83 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 27 D 7.85 4.29 0.00 2.82 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.74 3.61 1.98 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 1.49 0.64 0.87 0.00 0.00 29 L 7.64 3.39 0.00 1.30 0.80 0.74 0.61 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 30 I 7.57 3.67 1.84 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 0.63 0.87 0.00 0.00 31 R 7.89 3.81 0.00 1.93 2.09 0.00 3.05 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 32 L 7.86 3.91 0.00 1.75 1.42 1.06 1.00 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 33 F 8.20 4.57 0.00 2.99 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 34 K 8.30 4.09 0.00 1.78 1.83 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.61 7.81 35 S 8.07 4.27 0.00 3.75 3.56 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 0.00 0.00 0.00 0.00 36 H 8.12 4.67 0.00 3.06 2.95 0.00 5.63 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.47 0.00 2.15 2.11 0.00 3.81 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 38 E 8.23 4.15 0.00 2.30 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 2.26 2.51 0.00 39 T 8.13 3.92 4.49 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 0.95 0.00 0.00 40 L 7.98 3.70 0.00 1.31 1.74 0.05 0.54 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 41 E 7.81 4.10 0.00 2.15 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 2.37 2.44 0.00 42 K 8.07 4.44 0.00 2.00 1.69 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.15 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.73 1.94 7.81 43 F 8.15 4.59 0.00 3.34 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.58 4.41 0.00 2.60 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 45 R 7.86 3.93 0.00 1.64 1.83 0.00 2.75 0.00 0.00 2.97 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.50 0.00 46 F 7.92 5.09 0.00 2.96 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 47 K 8.27 3.99 0.00 1.79 1.92 0.00 1.85 0.00 0.00 1.79 0.00 0.00 3.21 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.62 1.59 7.81 48 H 8.20 4.49 0.00 3.29 3.42 0.00 5.52 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.54 4.18 0.00 1.57 1.58 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.78 4.34 0.00 1.85 1.82 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.33 7.81 51 T 7.58 4.63 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 52 E 8.54 3.87 0.00 2.04 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 2.35 2.35 0.00 53 A 7.93 3.97 1.31 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 0.00 0.00 0.00 54 E 8.13 3.97 0.00 2.12 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 2.35 2.34 0.00 55 M 8.28 4.17 0.00 2.03 2.25 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 2.77 2.57 0.00 56 K 8.14 3.95 0.00 1.92 1.85 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.41 7.81 57 A 7.57 4.38 1.37 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 0.00 0.00 0.00 58 S 7.46 4.18 0.00 3.87 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 59 E 8.85 4.03 0.00 2.14 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 2.40 2.45 0.00 60 D 8.15 4.43 0.00 2.95 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 61 L 8.04 3.60 0.00 1.47 1.64 -0.01 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.81 3.90 0.00 1.79 1.99 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.46 7.81 63 K 8.22 4.03 0.00 2.10 1.94 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.49 7.81 64 H 8.58 4.45 0.00 3.65 3.58 0.00 5.79 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 65 G 8.27 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 66 V 7.76 3.63 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 1.13 0.00 0.00 0.98 0.00 0.00 67 T 7.74 3.88 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 1.28 0.00 0.00 68 V 7.99 3.60 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 1.09 0.00 0.00 0.98 0.00 0.00 69 L 8.09 4.25 0.00 1.79 1.85 0.86 0.68 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 70 T 8.40 3.96 4.52 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 1.26 0.00 0.00 71 A 8.05 4.05 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 72 L 8.25 3.78 0.00 1.62 1.62 0.15 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.42 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.67 4.02 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 75 I 7.38 3.77 1.87 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.66 0.94 0.00 0.00 76 L 7.76 3.92 0.00 1.28 1.54 -0.14 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.70 3.99 0.00 1.65 1.79 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.48 7.81 78 K 8.01 4.05 0.00 1.82 1.79 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.54 1.58 7.81 79 K 8.28 2.00 0.00 1.22 0.74 0.00 1.48 0.00 0.00 1.42 0.00 0.00 2.72 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.30 0.79 7.81 80 G 7.72 3.98 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 0.00 0.00 0.00 81 H 7.36 4.71 0.00 3.17 3.23 0.00 5.82 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.19 5.14 0.00 3.34 3.45 0.00 5.66 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.30 3.97 0.00 2.09 2.08 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 2.43 2.49 0.00 84 A 7.95 4.04 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 85 E 8.11 4.15 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 2.39 2.43 0.00 86 L 8.23 4.20 0.00 1.95 1.66 0.74 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.94 3.83 0.00 2.07 1.82 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.51 7.81 88 P 0.00 4.30 0.00 2.22 2.09 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 89 L 7.52 4.03 0.00 1.74 1.86 1.08 0.86 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 90 A 8.35 4.10 1.37 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 0.00 0.00 0.00 91 Q 8.15 3.79 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.72 0.00 92 S 8.16 3.99 0.00 3.90 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 H 8.59 4.09 0.00 3.46 3.57 0.00 5.80 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 94 A 7.79 3.10 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.15 3.77 4.10 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 0.00 0.00 0.78 0.00 0.00 96 K 7.41 4.18 0.00 1.54 1.71 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.14 1.32 7.81 97 H 8.31 4.27 0.00 3.01 3.17 0.00 5.85 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.00 3.75 0.00 1.89 1.87 0.00 1.80 0.00 0.00 1.90 0.00 0.00 3.23 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.33 1.55 7.81 99 I 8.05 4.22 2.04 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 1.47 0.95 1.08 0.00 0.00 100 P 0.00 4.72 0.00 1.84 1.79 0.00 2.57 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 1.66 0.00 101 I 9.36 3.43 1.71 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 1.09 0.60 0.71 0.00 0.00 102 K 7.86 3.71 0.00 1.73 1.66 0.00 1.53 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 0.66 7.81 103 Y 7.85 4.03 0.00 3.21 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 0.00 104 L 7.87 4.20 0.00 1.77 1.80 0.67 0.92 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 0.00 105 E 7.88 3.99 0.00 1.96 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 2.46 2.43 0.00 106 F 7.89 4.50 0.00 3.23 2.72 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 0.00 107 I 8.15 3.82 2.02 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 1.58 1.60 1.07 0.00 0.00 108 S 8.22 4.19 0.00 4.21 3.98 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 0.00 109 E 8.39 4.06 0.00 2.28 2.08 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 2.66 2.60 0.00 110 A 8.08 4.02 1.37 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 0.00 0.00 0.00 111 I 8.07 3.68 2.11 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 1.58 0.93 1.02 0.00 0.00 112 I 7.83 3.76 2.11 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.95 1.11 0.00 0.00 113 H 8.49 4.10 0.00 3.35 3.50 0.00 5.78 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 0.00 114 V 7.92 3.51 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 0.89 0.00 0.00 0.98 0.00 0.00 115 L 8.03 3.79 0.00 1.23 0.38 0.67 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.89 4.36 0.00 3.44 3.50 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.75 4.18 0.00 3.94 3.83 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 0.00 118 R 7.66 4.28 0.00 1.65 1.65 0.00 3.10 0.00 0.00 2.95 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.60 0.00 119 H 8.30 4.92 0.00 3.10 3.21 0.00 5.66 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 0.00 120 P 0.00 4.13 0.00 2.08 2.05 0.00 3.88 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.96 0.00 121 G 8.11 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.15 4.90 0.00 2.77 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 0.00 123 F 8.40 4.97 0.00 2.96 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 0.00 124 G 7.48 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.46 3.89 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 0.00 126 D 7.93 4.17 0.00 2.83 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 0.00 127 A 7.68 3.95 1.21 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 0.00 0.00 128 Q 7.90 3.33 0.00 1.31 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 129 G 8.15 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.78 3.88 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 M 8.40 4.03 0.00 2.41 2.40 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.82 0.00 132 N 8.35 4.31 0.00 3.01 2.89 0.00 0.00 7.22 6.01 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 0.00 133 K 8.10 3.93 0.00 1.90 1.67 0.00 1.57 0.00 0.00 1.49 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.50 7.81 134 A 7.94 3.86 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.18 4.10 0.00 1.75 1.80 0.97 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.28 4.08 0.00 2.18 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 2.34 2.53 0.00 137 L 8.14 3.98 0.00 1.89 1.98 0.99 0.95 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 0.00 138 F 8.39 4.16 0.00 3.11 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 0.00 139 R 8.13 3.59 0.00 2.05 1.85 0.00 3.12 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.93 0.00 140 K 8.35 3.88 0.00 1.81 2.02 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.46 7.81 141 D 8.22 4.36 0.00 2.79 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 0.00 142 I 7.53 3.56 1.35 0.00 0.00 0.53 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 -0.20 0.48 0.00 0.00 143 A 8.05 3.64 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 0.00 0.00 144 A 7.89 3.94 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 145 K 7.83 4.01 0.00 1.99 1.93 0.00 1.58 0.00 0.00 1.67 0.00 0.00 3.17 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.54 7.81 146 Y 8.52 4.08 0.00 3.11 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 0.00 147 K 8.49 3.97 0.00 1.99 2.00 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.48 7.81 148 E 7.81 3.92 0.00 2.02 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 149 L 7.80 4.33 0.00 1.83 1.92 0.79 1.09 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 0.00 150 G 8.07 3.83 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 0.00 0.00 0.00 151 Y 7.68 4.20 0.00 2.73 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 Q 7.36 3.43 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.57 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 153 G 8.76 4.01 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 0.00