NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4270 8.3044 120.3493 55.3399 33.2366 174.4942 1 V 4.2967 8.0614 125.1768 60.8102 34.6190 172.8331 2 L 4.3342 8.2994 127.2865 53.9395 43.6428 176.8511 3 S 4.5298 8.7303 117.3694 57.6682 65.3306 175.1543 4 E 4.2984 8.8056 122.5101 59.4432 29.4763 178.9477 5 G 3.6780 8.1362 105.3095 47.8746 0.0000 175.3069 6 E 3.8958 8.1519 120.9911 58.9627 29.3865 179.4486 7 W 4.3900 8.0820 118.8952 60.0373 29.0789 178.5869 8 Q 4.1669 8.7381 118.3768 59.0117 27.9330 178.8948 9 L 4.0722 8.0006 119.8909 57.5756 41.5938 179.7273 10 V 3.7832 7.9685 118.3268 66.2179 31.6114 178.2273 11 L 4.2802 8.5527 118.9153 57.9147 41.2014 179.2000 12 H 4.2002 8.4629 116.2282 58.5824 28.9123 177.7434 13 V 3.8506 7.8621 121.1017 64.2763 31.4979 178.3246 14 W 3.8493 8.5229 128.8921 60.0571 30.2639 177.7588 15 A 4.0141 8.0342 120.1946 54.9422 18.0323 179.3923 16 K 3.9710 7.8590 117.1790 59.1728 32.1663 179.4476 17 V 2.6834 7.2266 118.0743 65.8546 30.9792 177.4013 18 E 4.0198 7.6824 115.2830 57.8561 29.3093 178.5185 19 A 4.1950 7.5884 121.1470 54.3183 19.5690 177.6976 20 D 4.6942 7.8636 115.3689 52.2857 43.2958 175.8077 21 V 3.6148 7.8476 123.8674 64.2570 31.7822 178.1707 22 A 4.0527 8.0573 121.0347 55.0628 18.2720 179.7132 23 G 3.7051 8.3159 105.4166 45.4835 0.0000 175.6764 24 H 4.1485 8.2228 118.3640 58.4697 28.6034 178.1335 25 G 3.4954 8.2702 107.7385 47.7801 0.0000 175.7661 26 Q 4.0186 8.0993 120.4581 58.8654 28.7097 178.6773 27 D 4.3885 7.9679 119.8121 57.3819 40.7648 178.9524 28 I 3.5876 7.8004 120.3505 64.5406 36.9876 178.1756 29 Y 3.6975 7.8842 117.6418 60.9216 37.6416 178.5059 30 I 3.7092 7.9495 121.0083 64.3880 37.1691 178.4661 31 R 3.8077 8.0737 119.5585 59.1641 29.8165 178.2976 32 L 3.8944 7.8887 120.2205 58.3883 41.9070 179.1001 33 F 4.5751 8.1403 117.7897 60.2395 38.5524 177.9892 34 K 4.0500 8.0355 117.8343 59.3991 32.0191 179.2463 35 S 4.2692 8.0173 114.6061 60.3646 64.2765 174.5149 36 H 4.7230 8.1930 118.5717 51.8804 29.3418 171.7892 37 P 4.5580 0.0000 0.0000 64.6290 31.3254 177.5340 38 E 4.3774 8.5023 117.5516 59.0145 29.5084 179.1771 39 T 3.7662 8.0567 110.8448 64.4893 68.7521 176.2757 40 L 3.7183 8.0404 122.8315 57.7775 41.7118 178.6405 41 E 4.1433 8.1414 118.3680 58.7515 29.1158 178.8623 42 K 4.4861 8.0826 117.1174 57.0684 32.6908 176.9046 43 F 4.5481 8.1933 119.0157 55.7292 38.3293 176.0976 44 D 4.4100 8.5860 126.8146 57.2196 40.8367 178.6601 45 R 3.8960 7.6470 116.3074 57.6479 30.4668 176.8398 46 F 4.9452 7.4961 114.1259 56.5970 40.5210 176.5938 47 K 4.0718 8.1755 120.5401 59.0046 32.4566 177.7364 48 H 4.4407 8.1022 114.2078 56.9518 29.1504 175.6633 49 L 4.0507 7.4959 121.5081 55.0588 41.6812 176.9994 50 K 4.3086 9.2758 123.4302 57.4087 33.3750 176.9391 51 T 4.7470 7.3017 107.6814 58.8251 73.3160 174.2333 52 E 3.9288 8.6499 120.9016 59.2468 29.6072 178.4896 53 A 3.9985 7.9650 120.4171 55.3128 18.2689 179.3269 54 E 3.9370 7.9222 115.8689 59.7182 29.6782 179.2014 55 M 4.1581 8.0494 118.7681 58.3927 31.8185 179.0027 56 K 3.9851 8.3335 117.7185 59.0373 32.3128 178.5108 57 A 4.4618 7.7440 118.5659 51.7932 19.0341 177.1701 58 S 4.2621 7.4620 113.6559 57.3950 62.5185 174.3768 59 E 4.0078 8.8545 129.6166 59.4197 29.4785 178.2410 60 D 4.4785 8.1606 118.7036 57.2329 40.9200 178.2883 61 L 3.1228 8.0252 120.9934 57.4151 41.9242 178.8898 62 K 3.9016 7.9861 119.7515 59.5411 32.1687 178.9440 63 K 4.0323 8.2783 118.8270 59.4725 31.8582 179.1371 64 Q 4.2336 8.3320 120.0797 59.1866 28.9758 178.5014 65 G 3.6806 8.5818 107.0824 47.7890 0.0000 175.8324 66 V 3.6139 7.8957 120.6228 65.6918 31.5449 178.1176 67 R 3.9377 8.1030 118.4841 59.3898 29.9015 178.5882 68 V 3.6547 8.0887 118.0920 66.2857 31.5781 178.1179 69 L 4.2443 8.1813 118.5901 57.9516 41.4007 179.7016 70 T 4.0760 8.2366 115.8758 66.3748 68.4077 176.7462 71 A 3.9942 8.2256 122.8519 55.1057 18.3874 179.4895 72 L 3.7185 8.3558 119.4344 58.0251 42.0938 179.3383 73 G 3.1707 8.5163 105.9679 47.6065 0.0000 175.5478 74 A 3.9735 7.8863 122.1929 54.7504 18.6847 179.5411 75 I 3.7583 7.5679 118.3545 64.5976 37.1841 178.6411 76 L 3.9753 7.9154 120.1365 57.7056 41.1718 179.6796 77 K 3.9365 7.7994 117.0283 58.5332 32.2756 178.8625 78 K 3.9177 7.7928 118.1767 56.1994 32.7819 176.4832 79 K 2.0000 8.1456 118.5496 56.2813 29.6831 175.3576 80 G 3.9086 7.6551 105.5985 45.6491 0.0000 173.2754 81 H 4.5881 7.2780 119.1192 55.2874 27.5659 174.8582 82 H 5.4773 7.1749 110.1209 54.4515 29.4472 176.6765 83 E 3.9367 8.5239 122.5426 60.3192 29.1156 178.2250 84 A 4.0302 7.8982 118.8643 55.3013 17.8834 179.0278 85 E 4.0974 8.1368 116.6328 59.4437 29.6314 179.2900 86 L 4.2988 8.2670 118.8980 57.0239 41.6591 179.3703 87 K 3.9360 7.7607 118.9129 59.1184 32.0040 177.4381 88 P 4.3173 0.0000 0.0000 65.6821 31.2288 178.1825 89 L 3.9936 7.5632 120.3110 57.9496 42.0063 178.7583 90 A 4.1951 8.5118 121.2096 55.2119 18.2868 179.4122 91 Q 3.9087 8.2948 118.2739 59.3692 29.1272 178.6428 92 S 4.0405 8.3424 115.4954 61.9106 63.0633 176.1778 93 H 4.2076 8.8252 119.8128 57.9874 28.2019 177.7134 94 A 2.8006 8.0709 122.3683 54.5464 18.4441 178.9185 95 T 3.9877 7.4784 112.0805 64.6672 69.4605 176.4629 96 K 3.9876 7.5529 120.4179 59.1451 32.6140 177.2613 97 H 4.3883 7.9972 114.0370 55.6201 29.7002 175.3596 98 K 3.2738 7.5175 117.2571 57.0693 28.5317 175.4768 99 I 4.3376 8.0797 118.9382 58.5896 38.3373 174.9124 100 P 4.6379 0.0000 0.0000 62.4049 31.9727 177.5446 101 I 3.7237 8.8910 120.9097 64.3745 36.8561 178.6663 102 K 3.8181 7.9237 120.1058 59.7627 31.8870 178.2079 103 Y 4.2513 8.0154 116.8381 60.6950 37.8190 178.0154 104 L 4.1943 7.9161 119.8003 57.6244 41.6956 179.1144 105 E 4.0347 8.2627 118.8757 59.3828 29.4023 179.2924 106 F 4.4941 7.9312 117.8622 60.8138 38.9073 177.6358 107 I 3.8637 8.3055 118.2687 63.9200 37.7337 178.1285 108 S 4.1881 8.3178 116.3993 61.6230 62.5922 176.3893 109 E 4.0544 8.6455 121.2554 59.4353 29.2019 179.3382 110 A 3.9957 8.1254 120.8211 55.0252 18.3577 179.7473 111 I 3.6238 8.0674 118.5836 64.7005 37.1706 178.7359 112 I 3.7814 7.9637 120.6063 64.5500 36.9160 177.9708 113 H 4.1053 8.5371 119.3167 59.3897 29.6601 177.5631 114 V 3.5567 7.9467 120.0263 65.9228 31.2589 178.0246 115 L 3.7366 7.8869 118.9465 57.7915 41.0319 178.9182 116 H 4.3774 8.0774 117.6645 59.1873 29.8469 177.1066 117 S 4.1468 7.7514 114.2322 61.4365 62.3965 175.9656 118 R 4.0253 8.0020 119.5976 57.6942 31.3060 176.6853 119 H 5.0638 8.1482 115.0442 53.9433 29.0695 173.2039 120 P 4.3590 0.0000 0.0000 65.5555 31.7948 178.6717 121 G 3.7595 8.1658 107.1259 47.8790 0.0000 173.7157 122 N 5.1087 8.4367 114.3667 52.6820 40.4081 174.3784 123 F 4.8607 8.0043 118.8424 56.5822 39.7160 174.5181 124 G 3.8946 7.7426 108.2914 43.8941 0.0000 172.3652 125 A 3.8875 8.3868 120.6255 55.3813 18.3178 179.7163 126 D 4.1810 7.9458 116.6076 57.3799 40.8938 178.7035 127 A 3.8867 7.7347 120.8042 55.1099 18.4158 179.2782 128 Q 2.9204 7.7575 118.4390 58.7246 28.9853 178.6568 129 G 3.5197 8.0449 106.6221 47.7225 0.0000 175.5109 130 A 3.8367 7.9532 123.4666 54.9554 18.3110 179.3908 131 M 3.9898 8.2368 116.9704 58.7443 32.2630 177.8320 132 N 4.2951 8.5918 117.6709 56.6126 39.0495 176.6716 133 K 3.8215 8.1368 120.7230 59.4352 32.2611 178.6243 134 A 3.8340 7.9575 121.0529 55.1991 18.2120 179.6816 135 L 4.1027 8.3131 117.8221 57.6920 41.6174 179.3406 136 E 3.9447 8.5858 119.9339 59.0105 29.4910 178.5707 137 L 3.9616 8.1849 120.6042 58.0446 42.1190 178.5856 138 F 4.1349 8.4170 120.5581 61.6450 39.2632 177.4087 139 R 3.4473 8.3520 117.8488 58.6974 29.7695 178.9943 140 K 3.8277 8.3572 119.9618 59.7054 32.2498 178.7225 141 D 4.3332 8.3439 119.5014 57.2104 40.6662 178.8240 142 I 3.3596 7.6794 120.5999 64.1504 36.9985 178.3118 143 A 3.7524 7.9694 121.7072 54.9372 18.1434 179.5558 144 A 3.9413 7.9178 119.3674 55.2647 18.3922 180.0831 145 K 4.0159 8.0380 117.0593 59.5527 32.0123 179.0695 146 Y 4.4311 8.4559 117.6697 61.2691 37.9773 178.8203 147 K 3.9723 8.1702 120.2888 59.6130 32.0749 178.7068 148 E 4.0470 8.0483 117.9556 59.1690 29.4841 178.6345 149 L 4.3377 7.9702 116.9183 55.3524 41.9583 177.8041 150 G 3.9728 7.9365 107.0859 45.1257 0.0000 172.2676 151 Y 4.8069 7.8004 120.5395 55.2771 40.4938 175.6652 152 Q 3.8247 8.4017 126.5463 57.8171 29.3263 176.6807 153 G 3.6578 5.9988 110.6090 45.4621 0.0000 172.8914 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 0 M 8.30 4.43 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 1 V 8.06 4.30 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 0.91 0.00 0.00 0.95 0.00 0.00 2 L 8.30 4.33 0.00 0.95 0.69 0.61 -0.48 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 8.73 4.53 0.00 4.04 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.81 4.30 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 2.44 2.52 0.00 5 G 8.14 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 6 E 8.15 3.90 0.00 1.91 1.70 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 2.20 2.25 0.00 7 W 8.08 4.39 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 8 Q 8.74 4.17 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.69 2.62 0.00 9 L 8.00 4.07 0.00 1.87 1.73 0.87 0.65 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 10 V 7.97 3.78 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 0.93 0.00 0.00 11 L 8.55 4.28 0.00 1.84 1.78 0.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.46 4.20 0.00 3.33 3.44 0.00 5.65 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.86 3.85 2.51 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 1.09 0.00 0.00 0.88 0.00 0.00 14 W 8.52 3.85 0.00 3.67 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.03 4.01 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 16 K 7.86 3.97 0.00 1.47 1.60 0.00 1.68 0.00 0.00 1.52 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.48 7.81 17 V 7.23 2.68 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 0.00 0.00 0.09 0.00 0.00 0.14 0.00 0.00 18 E 7.68 4.02 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.25 0.00 19 A 7.59 4.19 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 20 D 7.86 4.69 0.00 2.73 2.51 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 0.00 21 V 7.85 3.61 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 0.72 0.00 0.00 0.87 0.00 0.00 22 A 8.06 4.05 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 23 G 8.32 3.71 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 0.00 0.00 0.00 24 H 8.22 4.15 0.00 3.24 3.18 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 8.27 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 26 Q 8.10 4.02 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 27 D 7.97 4.39 0.00 2.76 2.64 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 28 I 7.80 3.59 1.82 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.59 0.67 0.00 0.00 29 Y 7.88 3.70 0.00 2.88 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.95 3.71 2.02 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 1.42 0.86 0.95 0.00 0.00 31 R 8.07 3.81 0.00 1.86 2.12 0.00 2.99 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 32 L 7.89 3.89 0.00 1.72 1.43 1.07 1.17 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 33 F 8.14 4.58 0.00 3.05 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 34 K 8.04 4.05 0.00 1.76 1.84 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.62 1.61 7.81 35 S 8.02 4.27 0.00 3.72 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 36 H 8.19 4.72 0.00 2.89 2.71 0.00 5.64 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 37 P 0.00 4.56 0.00 2.15 2.12 0.00 3.83 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 2.10 2.00 0.00 38 E 8.50 4.38 0.00 2.31 2.31 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 2.26 2.41 0.00 39 T 8.06 3.77 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 40 L 8.04 3.72 0.00 1.19 1.70 -0.20 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.14 4.14 0.00 2.24 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 2.36 2.40 0.00 42 K 8.08 4.49 0.00 1.92 1.74 0.00 1.91 0.00 0.00 1.78 0.00 0.00 3.18 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.78 1.98 7.81 43 F 8.19 4.55 0.00 3.35 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 44 D 8.59 4.41 0.00 2.62 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 45 R 7.65 3.90 0.00 0.72 1.15 0.00 2.98 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.44 0.00 46 F 7.50 4.95 0.00 2.86 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 47 K 8.18 4.07 0.00 1.88 2.22 0.00 1.62 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.40 7.81 48 H 8.10 4.44 0.00 3.29 3.44 0.00 5.53 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.50 4.05 0.00 1.51 1.56 0.84 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.28 4.31 0.00 1.80 1.84 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.53 7.81 51 T 7.30 4.75 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 8.65 3.93 0.00 2.05 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 0.00 2.37 2.37 0.00 53 A 7.96 4.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 3.94 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 2.34 2.34 0.00 55 M 8.05 4.16 0.00 2.07 2.26 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.58 0.00 56 K 8.33 3.99 0.00 1.82 1.86 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.15 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.62 7.81 57 A 7.74 4.46 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 58 S 7.46 4.26 0.00 3.93 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 59 E 8.85 4.01 0.00 2.14 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 2.40 2.49 0.00 60 D 8.16 4.48 0.00 3.07 3.06 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 61 L 8.03 3.12 0.00 0.95 1.47 -0.65 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.99 3.90 0.00 1.87 1.97 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.48 7.81 63 K 8.28 4.03 0.00 2.07 1.92 0.00 1.78 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.62 7.81 64 Q 8.33 4.23 0.00 2.46 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.50 2.76 0.00 65 G 8.58 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 66 V 7.90 3.61 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 1.02 0.00 0.00 0.99 0.00 0.00 67 R 8.10 3.94 0.00 2.17 2.10 0.00 3.24 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 68 V 8.09 3.65 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 1.05 0.00 0.00 1.21 0.00 0.00 69 L 8.18 4.24 0.00 1.78 1.87 0.84 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.24 4.08 4.33 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 1.26 0.00 0.00 71 A 8.23 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 72 L 8.36 3.72 0.00 1.54 1.58 0.21 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.52 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 0.00 0.00 0.00 74 A 7.89 3.97 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 75 I 7.57 3.76 1.85 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 1.53 0.94 0.90 0.00 0.00 76 L 7.92 3.98 0.00 1.34 1.58 -0.14 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 77 K 7.80 3.94 0.00 1.76 1.79 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.54 7.81 78 K 7.79 3.92 0.00 1.84 1.79 0.00 1.73 0.00 0.00 1.58 0.00 0.00 3.14 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.60 1.74 7.81 79 K 8.15 2.00 0.00 1.18 0.74 0.00 1.38 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.43 1.02 7.81 80 G 7.66 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 81 H 7.28 4.59 0.00 3.17 3.21 0.00 5.81 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 7.17 5.48 0.00 3.28 3.44 0.00 5.65 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.52 3.94 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 2.39 2.47 0.00 84 A 7.90 4.03 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 85 E 8.14 4.10 0.00 2.25 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 2.39 2.47 0.00 86 L 8.27 4.30 0.00 1.91 1.71 1.00 0.66 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 87 K 7.76 3.94 0.00 1.97 1.89 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.65 7.81 88 P 0.00 4.32 0.00 2.30 2.34 0.00 3.86 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.05 0.00 89 L 7.56 3.99 0.00 2.05 1.91 0.95 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.51 4.20 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 3.91 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 92 S 8.34 4.04 0.00 4.03 4.14 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 0.00 0.00 0.00 93 H 8.83 4.21 0.00 3.61 3.67 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 8.07 2.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.48 3.99 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 96 K 7.55 3.99 0.00 1.55 1.63 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.19 1.34 7.81 97 H 8.00 4.39 0.00 3.02 3.15 0.00 5.86 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 7.52 3.27 0.00 1.79 1.71 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.14 1.25 7.81 99 I 8.08 4.34 2.12 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 1.54 0.97 1.18 0.00 0.00 100 P 0.00 4.64 0.00 1.95 2.00 0.00 3.24 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.52 0.00 101 I 8.89 3.72 1.89 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.75 0.82 0.00 0.00 102 K 7.92 3.82 0.00 1.67 1.64 0.00 1.72 0.00 0.00 1.89 0.00 0.00 3.52 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.57 1.21 7.81 103 Y 8.02 4.25 0.00 3.26 3.09 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 0.00 104 L 7.92 4.19 0.00 1.87 1.82 0.74 1.20 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 0.00 105 E 8.26 4.03 0.00 2.05 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 2.32 2.45 0.00 106 F 7.93 4.49 0.00 3.21 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 0.00 107 I 8.31 3.86 2.02 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 1.07 0.00 0.00 108 S 8.32 4.19 0.00 4.18 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 0.00 109 E 8.65 4.05 0.00 2.31 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 2.44 2.72 0.00 110 A 8.13 4.00 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 0.00 111 I 8.07 3.62 2.09 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 1.55 0.66 1.03 0.00 0.00 112 I 7.96 3.78 2.12 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 1.71 0.86 1.14 0.00 0.00 113 H 8.54 4.11 0.00 3.32 3.46 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.95 3.56 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 0.95 0.00 0.00 0.93 0.00 0.00 115 L 7.89 3.74 0.00 0.38 0.44 0.75 0.59 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 0.00 116 H 8.08 4.38 0.00 3.44 3.61 0.00 5.95 0.00 0.00 0.00 0.00 7.00 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 4.15 0.00 3.81 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 0.00 118 R 8.00 4.03 0.00 1.61 1.52 0.00 2.94 0.00 0.00 2.93 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 119 H 8.15 5.06 0.00 3.23 3.22 0.00 5.62 0.00 0.00 0.00 0.00 6.77 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 4.36 0.00 2.17 2.16 0.00 3.84 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 121 G 8.17 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 0.00 122 N 8.44 5.11 0.00 2.76 2.88 0.00 0.00 6.68 6.84 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 0.00 123 F 8.00 4.86 0.00 2.98 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 7.74 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 0.00 0.00 0.00 125 A 8.39 3.89 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 0.00 126 D 7.95 4.18 0.00 2.64 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 0.00 127 A 7.73 3.89 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.76 2.92 0.00 1.18 1.75 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 2.24 2.30 0.00 129 G 8.04 3.52 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 0.00 0.00 0.00 130 A 7.95 3.84 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 0.00 131 M 8.24 3.99 0.00 2.42 2.42 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.92 0.00 132 N 8.59 4.30 0.00 2.85 2.94 0.00 0.00 6.87 7.16 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 0.00 133 K 8.14 3.82 0.00 1.89 1.68 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.37 7.81 134 A 7.96 3.83 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 8.31 4.10 0.00 1.75 1.83 1.00 0.90 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 0.00 136 E 8.59 3.94 0.00 2.11 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 2.30 2.31 0.00 137 L 8.18 3.96 0.00 1.90 1.95 1.08 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.42 4.13 0.00 3.12 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 0.00 139 R 8.35 3.45 0.00 1.82 1.83 0.00 3.18 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.00 0.00 140 K 8.36 3.83 0.00 1.82 1.98 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.45 7.81 141 D 8.34 4.33 0.00 2.66 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 0.00 142 I 7.68 3.36 1.34 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 -0.36 0.01 0.00 0.00 143 A 7.97 3.75 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 0.00 144 A 7.92 3.94 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 0.00 145 K 8.04 4.02 0.00 1.98 1.92 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.64 7.81 146 Y 8.46 4.43 0.00 3.12 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 K 8.17 3.97 0.00 1.87 2.01 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.48 7.81 148 E 8.05 4.05 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 2.36 2.53 0.00 149 L 7.97 4.34 0.00 1.84 1.73 1.02 0.89 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 7.94 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 7.80 4.81 0.00 2.58 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 0.00 152 Q 8.40 3.82 0.00 1.73 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.41 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 153 G 6.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00