NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9859 8.3549 109.7366 45.4336 0.0000 172.5987 2 L 4.5346 7.9896 118.4144 50.5086 44.3199 176.0381 3 S 4.5068 9.0872 118.3315 57.8543 66.2107 174.8380 4 D 4.6876 8.7019 121.0572 57.4858 40.9889 178.3201 5 G 3.7154 8.1129 105.8781 47.8165 0.0000 175.4212 6 E 3.9339 8.0454 120.6745 58.9760 29.4325 179.3605 7 W 4.3830 8.1379 118.9839 60.0517 29.1276 178.6314 8 Q 4.1834 8.7180 118.4383 59.0071 28.1407 178.8061 9 Q 4.0602 8.1191 119.2401 58.7633 28.7098 178.6870 10 V 3.7143 8.1509 119.5887 66.3611 31.4259 178.2290 11 L 4.1931 8.5917 118.9212 57.5778 41.1798 179.0290 12 N 4.3912 8.2228 116.8723 56.6853 39.2390 177.0598 13 V 3.7584 8.0814 120.6642 64.5055 31.5501 178.1531 14 W 4.1037 8.6034 129.1687 59.9450 30.2190 178.1005 15 G 3.6205 7.6853 105.2565 47.6165 0.0000 175.5091 16 K 3.9848 7.8422 120.6868 59.0802 32.0201 179.6042 17 V 2.7019 6.9469 117.8953 65.7885 31.1877 177.7799 18 E 3.8039 7.4253 116.3139 58.9731 29.2364 178.7567 19 A 4.2632 7.1161 120.3860 54.3693 19.3215 177.2757 20 D 4.5119 7.8173 114.9155 52.5927 43.1148 175.6073 21 I 3.7749 8.0235 126.0403 63.6340 37.3100 177.4684 22 A 4.1377 7.4003 122.7214 54.4802 18.4138 179.6152 23 G 3.6167 8.2581 105.5718 47.6934 0.0000 175.6281 24 H 4.1327 8.0251 118.9417 58.3172 28.7379 177.9753 25 G 3.7001 8.4105 108.2353 47.8769 0.0000 175.5906 26 Q 3.9046 8.1898 120.5260 59.0341 28.5773 178.4479 27 E 3.8693 7.9767 120.5793 58.8587 29.4626 179.5943 28 V 3.5168 7.7797 118.1385 65.9396 31.5593 178.1312 29 L 3.3804 7.6859 118.6037 57.6199 41.3881 179.5060 30 I 3.6504 7.8088 120.0707 64.3647 37.0244 178.3816 31 R 3.8114 7.9830 119.4684 59.1913 29.7764 178.2097 32 L 3.9180 7.7229 119.9583 58.4762 41.8757 179.1694 33 F 4.5483 8.3942 118.1417 60.3559 38.5591 177.5601 34 T 4.2079 8.0463 108.8191 63.9708 69.1534 177.0440 35 G 3.7073 7.9476 107.8752 46.3601 0.0000 173.6329 36 H 4.7310 8.3535 118.0532 51.7105 29.4890 171.7467 37 P 4.6100 0.0000 0.0000 64.6021 30.8993 177.4538 38 E 4.0697 8.2834 116.2715 59.6714 29.3399 179.2211 39 T 3.8869 8.2899 111.0980 64.3648 68.8273 176.3669 40 L 3.5308 7.8445 123.3817 57.8974 41.7884 178.6870 41 E 4.0691 7.7469 116.7868 59.1553 29.4578 178.8482 42 K 4.4427 8.0649 116.6267 56.6770 32.6644 176.7608 43 F 4.4863 8.0329 119.4501 55.4682 39.2684 176.1042 44 D 4.3579 8.5898 126.8651 57.3200 40.7518 177.8333 45 E 4.2154 7.7780 115.2038 57.1457 29.7973 176.7135 46 F 5.0859 7.6361 115.8258 56.4081 41.1272 176.3976 47 K 3.9555 8.0683 120.0968 59.1965 32.2432 177.3587 48 H 4.5777 8.2655 113.6108 56.3392 29.2424 176.0106 49 L 4.5803 7.4467 122.4424 53.6480 39.9282 176.3098 50 K 4.1974 8.5619 119.2133 57.3470 33.1027 177.8168 51 T 4.7085 7.5701 109.1711 58.8211 72.9178 173.9613 52 E 3.8541 8.7687 122.2131 59.8550 29.3119 179.1477 53 A 3.9632 7.9191 118.4490 55.2497 18.6381 179.0025 54 E 4.0565 7.8972 116.0721 59.7299 29.1698 179.4056 55 M 4.0038 8.2117 118.8791 58.3683 31.8198 178.9973 56 K 4.0206 8.2400 117.3796 58.5338 32.1603 178.1292 57 A 4.6453 7.3889 119.2899 50.6194 19.0145 176.2892 58 S 4.6192 7.2846 114.6549 56.9905 64.2047 174.9707 59 E 4.0918 8.7636 127.9499 59.1331 29.2902 178.8264 60 D 4.5029 8.1446 119.0135 57.2535 40.9748 178.3162 61 L 3.1828 7.8040 120.7455 57.7688 42.0354 178.8948 62 K 3.8834 7.7339 119.3497 59.6500 32.1429 178.6543 63 E 4.0491 8.7938 119.2641 59.4963 29.3037 178.8014 64 H 4.4114 8.4847 118.7163 59.1699 29.8904 177.4225 65 G 3.6511 8.1999 107.5998 48.1050 0.0000 175.7764 66 T 3.8533 7.8221 117.8917 66.3610 68.5188 176.6645 67 V 3.6679 7.7843 120.0667 66.1342 31.5041 177.9751 68 V 3.5816 7.8070 117.6177 66.3509 31.3262 178.1007 69 L 4.2603 8.2372 118.5894 57.8586 41.4527 179.3926 70 T 3.9695 8.4551 113.5160 64.8312 67.2459 176.2561 71 A 3.9522 8.0653 122.9663 55.0107 18.3979 179.3569 72 L 3.6896 7.9409 119.0545 58.0496 42.1218 179.3003 73 G 2.9401 8.2463 106.0369 47.5639 0.0000 175.7872 74 G 3.6172 7.6786 107.0732 47.4576 0.0000 175.6081 75 I 3.8589 7.4483 121.9251 64.1115 37.1654 178.3336 76 L 3.9183 7.8085 120.1877 57.8392 41.2228 179.7566 77 K 3.8936 7.6779 116.6518 58.6419 32.2429 178.7132 78 K 3.9660 7.8197 118.0789 55.9669 32.5945 176.5934 79 K 2.0000 8.2351 118.1757 56.4663 29.6836 176.1228 80 G 3.9460 7.8099 105.8282 45.8078 0.0000 174.0061 81 H 4.6988 7.2079 118.9981 54.7993 27.1801 174.5992 82 H 5.3094 7.2519 112.6424 54.0618 29.8629 176.5383 83 E 3.9602 8.7026 121.2729 60.6326 28.9908 179.0718 84 A 4.0488 7.9604 118.2421 54.9976 17.1929 178.8097 85 E 4.1871 8.1380 116.3703 58.5943 29.7749 178.6659 86 L 4.2240 8.1626 120.8931 57.5513 42.1620 178.3988 87 K 3.9308 8.1183 119.9918 59.1553 31.9914 176.6575 88 P 4.2639 0.0000 0.0000 66.0872 31.0579 178.2465 89 L 4.0503 7.5087 117.9036 57.2646 41.4994 179.3365 90 A 4.1660 8.2892 120.9003 55.3954 18.3622 179.6896 91 Q 3.9086 8.5403 117.2393 59.1675 28.7933 179.3175 92 S 4.1607 8.5097 115.6463 61.6766 63.0272 176.2621 93 H 4.2153 8.6570 119.6627 58.1686 28.2562 177.7227 94 A 2.5800 8.0512 123.0676 54.7324 18.0709 179.4382 95 T 3.8438 7.6949 106.4480 62.7321 69.5059 175.6815 96 K 4.0712 7.4244 120.8420 58.4304 32.9876 177.0164 97 H 4.3071 7.7636 113.8722 56.0089 29.5469 175.5330 98 K 3.3913 7.3792 116.9655 55.9351 28.9312 175.5780 99 I 4.3435 8.1279 118.5141 58.7937 38.0491 175.0161 100 P 4.9952 0.0000 0.0000 61.7099 32.0842 177.2186 101 I 3.5047 8.4076 119.4191 64.1198 37.6889 177.7335 102 K 3.5550 7.9615 119.9771 60.0561 31.8056 178.0233 103 Y 4.0802 7.7875 116.4248 60.9690 37.7313 178.5926 104 L 4.2023 8.0637 120.1280 57.3437 41.5946 179.1506 105 E 3.9312 7.8501 119.0605 59.2557 29.7644 178.3725 106 F 4.4778 7.9315 117.9244 61.0384 39.0417 177.6897 107 I 3.8217 8.0786 117.8995 63.9473 37.6052 178.0916 108 S 4.1723 8.2817 116.2039 61.8939 62.7149 176.4333 109 D 4.4485 8.4924 121.3256 57.2524 40.4258 178.6685 110 A 4.0381 8.2737 121.4209 55.2502 18.2621 179.7821 111 I 3.6730 7.8852 118.2550 64.5971 37.2209 178.7125 112 I 3.8655 7.6460 120.8317 64.5838 36.9443 177.8621 113 H 4.1117 8.5232 119.1767 59.3932 29.6576 177.4681 114 V 3.5909 8.0939 120.0896 65.9619 31.3765 177.8751 115 L 3.8287 8.1058 118.9848 58.2068 41.2967 179.3303 116 H 4.4221 8.2869 116.0011 58.9067 28.3644 178.1716 117 S 4.1891 7.8973 116.3626 61.4812 62.7849 176.4120 118 K 4.0869 8.1844 120.0642 57.7471 33.2161 176.9967 119 H 4.9920 8.0378 115.5821 53.6410 29.1364 172.0910 120 P 4.5536 0.0000 0.0000 63.6503 31.8565 177.6395 121 G 4.0220 9.0528 110.7698 45.7537 0.0000 173.3956 122 D 4.7387 8.2327 117.8226 54.1573 41.4035 176.7612 123 F 4.9338 7.8190 122.2860 55.4669 39.1413 175.3533 124 G 3.7919 8.2025 112.5354 43.7922 0.0000 170.6802 125 A 3.8729 8.4860 122.7864 55.0565 18.2593 179.9403 126 D 4.1775 7.9383 116.6171 56.6091 39.6552 178.3143 127 A 4.0214 7.9126 122.4585 54.6836 18.3405 179.1450 128 Q 3.6935 8.2652 118.3107 59.0109 29.0880 178.5096 129 G 3.6320 8.1738 106.7108 47.8858 0.0000 175.4328 130 A 3.8460 8.0310 123.7206 54.8206 18.4683 179.2493 131 M 3.9942 8.6043 117.0876 59.1294 32.2146 178.3289 132 T 3.9013 8.1453 115.8977 66.7362 68.6031 176.3193 133 K 3.7909 7.8703 119.7566 59.6106 32.1214 179.0523 134 A 3.8571 7.7319 120.5880 55.3256 18.2096 179.7434 135 L 4.1336 8.0860 117.3275 57.7404 41.6992 179.5753 136 E 3.9827 8.4856 119.1796 59.0708 29.3040 178.7775 137 L 3.9209 8.2251 120.7639 58.2727 42.2055 178.4793 138 F 4.0757 8.2001 120.2959 61.5517 39.1705 177.0904 139 R 3.5478 8.3228 118.0585 59.3611 29.9175 177.9202 140 N 4.2113 8.6231 117.0649 56.9297 38.5039 176.6052 141 D 4.3736 8.4071 120.5827 57.1927 40.7592 178.9037 142 I 3.5225 7.3909 120.1948 63.9600 37.0280 177.9270 143 A 3.7710 7.9698 121.8487 55.2754 18.1535 179.3668 144 A 3.9578 7.8583 118.8932 55.5479 18.4307 180.1163 145 K 4.0448 7.7771 115.6325 59.6600 32.1078 179.2170 146 Y 4.2502 8.4492 117.3918 60.9701 37.7984 178.5877 147 K 3.9401 8.3174 120.4838 59.5165 32.1045 178.1563 148 E 3.9412 7.9794 118.1881 59.4864 29.6566 178.3642 149 L 4.2924 7.9396 115.7237 54.4710 41.9460 177.1460 150 G 3.8567 7.8097 106.9414 46.4924 0.0000 174.7021 151 F 4.5561 8.0625 124.0669 56.1779 37.8332 175.3159 152 Q 3.9897 8.4795 128.6254 57.7486 29.3575 177.0404 153 G 3.3193 6.6904 110.2381 45.3695 0.0000 172.2976 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 G 8.35 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 2 L 7.99 4.53 0.00 0.78 0.61 0.42 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.09 4.51 0.00 4.04 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 4 D 8.70 4.69 0.00 2.90 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 G 8.11 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.05 3.93 0.00 1.93 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 2.24 2.27 0.00 7 W 8.14 4.38 0.00 3.60 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 8 Q 8.72 4.18 0.00 2.23 2.21 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 2.47 2.61 0.00 9 Q 8.12 4.06 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 10 V 8.15 3.71 2.47 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 1.18 0.00 0.00 0.88 0.00 0.00 11 L 8.59 4.19 0.00 1.80 1.80 0.93 0.48 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 12 N 8.22 4.39 0.00 2.76 2.90 0.00 0.00 7.24 7.03 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 13 V 8.08 3.76 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.78 0.00 0.00 14 W 8.60 4.10 0.00 3.62 3.29 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 0.00 15 G 7.69 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 16 K 7.84 3.98 0.00 1.79 1.49 0.00 1.52 0.00 0.00 1.26 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.33 7.81 17 V 6.95 2.70 0.67 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 0.09 0.00 0.00 0.24 0.00 0.00 18 E 7.43 3.80 0.00 2.02 1.93 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 2.29 2.13 0.00 19 A 7.12 4.26 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 7.82 4.51 0.00 2.66 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 21 I 8.02 3.77 1.85 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 0.39 0.90 0.00 0.00 22 A 7.40 4.14 1.29 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 0.00 0.00 0.00 23 G 8.26 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 24 H 8.03 4.13 0.00 3.17 3.25 0.00 5.83 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 8.41 3.70 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 0.00 0.00 0.00 26 Q 8.19 3.90 0.00 2.20 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.74 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 27 E 7.98 3.87 0.00 2.07 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 2.56 2.29 0.00 28 V 7.78 3.52 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 1.00 0.00 0.00 0.94 0.00 0.00 29 L 7.69 3.38 0.00 1.41 0.92 0.80 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.81 3.65 1.80 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.70 0.88 0.00 0.00 31 R 7.98 3.81 0.00 1.96 2.11 0.00 3.07 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 32 L 7.72 3.92 0.00 1.70 1.40 1.06 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.39 4.55 0.00 3.02 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 T 8.05 4.21 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 1.22 0.00 0.00 35 G 7.95 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 36 H 8.35 4.73 0.00 3.08 3.25 0.00 5.65 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 4.61 0.00 2.15 2.12 0.00 3.83 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 2.09 2.00 0.00 38 E 8.28 4.07 0.00 2.29 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 2.28 2.56 0.00 39 T 8.29 3.89 4.41 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 0.78 0.00 0.00 40 L 7.84 3.53 0.00 1.40 1.75 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.75 4.07 0.00 2.33 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 2.39 2.56 0.00 42 K 8.06 4.44 0.00 1.90 1.75 0.00 1.95 0.00 0.00 1.78 0.00 0.00 3.25 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.69 1.95 7.81 43 F 8.03 4.49 0.00 3.08 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 44 D 8.59 4.36 0.00 2.58 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 45 E 7.78 4.22 0.00 1.27 1.68 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 2.19 2.18 0.00 46 F 7.64 5.09 0.00 2.87 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 47 K 8.07 3.96 0.00 1.91 2.26 0.00 1.62 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.63 1.42 7.81 48 H 8.27 4.58 0.00 3.31 3.44 0.00 5.51 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 49 L 7.45 4.58 0.00 1.60 1.57 0.87 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.56 4.20 0.00 1.77 1.84 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.44 7.81 51 T 7.57 4.71 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 8.77 3.85 0.00 2.04 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 2.38 0.00 53 A 7.92 3.96 1.29 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 0.00 0.00 0.00 54 E 7.90 4.06 0.00 2.14 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 2.32 2.33 0.00 55 M 8.21 4.00 0.00 2.03 2.25 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.55 0.00 56 K 8.24 4.02 0.00 1.89 1.85 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.56 7.81 57 A 7.39 4.65 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 58 S 7.28 4.62 0.00 3.82 3.79 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 59 E 8.76 4.09 0.00 2.04 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 2.41 2.35 0.00 60 D 8.14 4.50 0.00 2.95 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 61 L 7.80 3.18 0.00 1.17 1.55 0.66 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.73 3.88 0.00 1.93 1.89 0.00 1.79 0.00 0.00 1.62 0.00 0.00 3.26 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.55 7.81 63 E 8.79 4.05 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 64 H 8.48 4.41 0.00 3.64 3.57 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 8.20 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 7.82 3.85 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 67 V 7.78 3.67 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 1.03 0.00 0.00 1.02 0.00 0.00 68 V 7.81 3.58 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 1.03 0.00 0.00 0.98 0.00 0.00 69 L 8.24 4.26 0.00 1.80 1.88 0.86 0.91 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 70 T 8.46 3.97 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 1.38 0.00 0.00 71 A 8.07 3.95 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 7.94 3.69 0.00 1.58 1.71 0.21 0.99 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 73 G 8.25 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 0.00 0.00 0.00 74 G 7.68 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 75 I 7.45 3.86 1.89 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 1.54 0.60 0.95 0.00 0.00 76 L 7.81 3.92 0.00 1.29 1.53 0.21 0.78 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 7.68 3.89 0.00 1.62 1.79 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.39 1.56 7.81 78 K 7.82 3.97 0.00 1.82 1.84 0.00 1.76 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.57 1.58 7.81 79 K 8.24 2.00 0.00 1.20 0.74 0.00 1.10 0.00 0.00 1.51 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.65 0.94 7.81 80 G 7.81 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 81 H 7.21 4.70 0.00 3.10 3.22 0.00 5.60 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.25 5.31 0.00 3.29 3.43 0.00 5.67 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 83 E 8.70 3.96 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 84 A 7.96 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 85 E 8.14 4.19 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 2.38 2.42 0.00 86 L 8.16 4.22 0.00 1.92 1.66 0.76 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.12 3.93 0.00 2.06 1.82 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.67 7.81 88 P 0.00 4.26 0.00 2.33 2.32 0.00 3.67 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.16 0.00 89 L 7.51 4.05 0.00 1.95 1.79 1.03 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.29 4.17 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.54 3.91 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 92 S 8.51 4.16 0.00 3.96 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 93 H 8.66 4.22 0.00 3.56 3.63 0.00 5.81 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 8.05 2.58 0.63 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 95 T 7.69 3.84 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 1.03 0.00 0.00 96 K 7.42 4.07 0.00 1.51 1.63 0.00 1.56 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.19 1.31 7.81 97 H 7.76 4.31 0.00 3.08 3.15 0.00 5.86 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 98 K 7.38 3.39 0.00 1.86 1.94 0.00 1.79 0.00 0.00 2.43 0.00 0.00 2.73 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.11 1.26 7.81 99 I 8.13 4.34 2.16 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 1.61 1.00 1.20 0.00 0.00 100 P 0.00 5.00 0.00 1.89 1.83 0.00 2.53 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 0.91 1.63 0.00 101 I 8.41 3.50 1.77 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 1.38 1.04 0.82 0.00 0.00 102 K 7.96 3.56 0.00 1.72 1.59 0.00 1.53 0.00 0.00 1.79 0.00 0.00 3.26 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.46 0.75 7.81 103 Y 7.79 4.08 0.00 3.17 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 0.00 104 L 8.06 4.20 0.00 1.87 1.75 0.69 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.85 3.93 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 2.46 2.43 0.00 106 F 7.93 4.48 0.00 3.20 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 0.00 107 I 8.08 3.82 2.01 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.38 1.07 0.00 0.00 108 S 8.28 4.17 0.00 4.20 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 D 8.49 4.45 0.00 2.95 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.27 4.04 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 0.00 111 I 7.89 3.67 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 1.57 0.76 0.97 0.00 0.00 112 I 7.65 3.87 2.14 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.20 1.18 0.00 0.00 113 H 8.52 4.11 0.00 3.32 3.48 0.00 5.59 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 8.09 3.59 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 0.98 0.00 0.00 1.05 0.00 0.00 115 L 8.11 3.83 0.00 1.43 0.50 0.38 1.09 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 0.00 116 H 8.29 4.42 0.00 3.39 3.38 0.00 5.62 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 0.00 117 S 7.90 4.19 0.00 3.97 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 0.00 118 K 8.18 4.09 0.00 1.39 1.50 0.00 1.60 0.00 0.00 1.45 0.00 0.00 2.48 0.00 0.00 2.27 0.00 0.00 0.00 0.00 1.29 1.49 7.81 119 H 8.04 4.99 0.00 3.22 3.19 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 4.55 0.00 2.19 2.15 0.00 3.41 0.00 0.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 121 G 9.05 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 0.00 0.00 0.00 122 D 8.23 4.74 0.00 2.85 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 7.82 4.93 0.00 2.73 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.20 3.79 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 0.00 0.00 0.00 125 A 8.49 3.87 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 0.00 126 D 7.94 4.18 0.00 2.86 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 0.00 127 A 7.91 4.02 1.53 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 0.00 128 Q 8.27 3.69 0.00 1.30 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 129 G 8.17 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 0.00 130 A 8.03 3.85 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 0.00 131 M 8.60 3.99 0.00 2.36 2.32 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.77 0.00 132 T 8.15 3.90 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 1.23 0.00 0.00 133 K 7.87 3.79 0.00 1.84 1.69 0.00 1.59 0.00 0.00 1.52 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.53 7.81 134 A 7.73 3.86 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 0.00 135 L 8.09 4.13 0.00 1.91 1.81 0.98 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.49 3.98 0.00 2.15 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 2.35 2.50 0.00 137 L 8.23 3.92 0.00 1.95 1.97 1.21 1.16 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 0.00 138 F 8.20 4.08 0.00 3.11 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 0.00 139 R 8.32 3.55 0.00 2.12 1.97 0.00 3.12 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 140 N 8.62 4.21 0.00 2.92 2.89 0.00 0.00 7.30 8.35 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 0.00 141 D 8.41 4.37 0.00 2.70 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 7.39 3.52 1.34 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.01 0.23 0.00 0.00 143 A 7.97 3.77 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 0.00 144 A 7.86 3.96 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 0.00 145 K 7.78 4.04 0.00 2.06 1.95 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.65 1.64 7.81 146 Y 8.45 4.25 0.00 3.08 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 0.00 147 K 8.32 3.94 0.00 1.86 2.02 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.47 7.81 148 E 7.98 3.94 0.00 2.19 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 0.00 2.34 2.38 0.00 149 L 7.94 4.29 0.00 1.83 1.65 0.85 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.81 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 0.00 151 F 8.06 4.56 0.00 2.79 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 Q 8.48 3.99 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.61 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 153 G 6.69 3.32 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 0.00