NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.7044 8.3033 120.3920 56.0618 31.8323 175.3285 2 K 3.9237 8.2731 117.8433 58.4227 32.0038 176.7421 3 C 4.9312 8.0376 114.7912 56.3448 43.2343 173.2447 4 D 4.5758 7.6764 119.8781 53.9350 41.4567 177.2428 5 I 3.8483 8.2436 117.4041 63.4281 37.3452 177.9340 6 T 3.8800 8.4458 118.5862 66.9964 68.1447 175.9420 7 L 3.9783 8.1064 120.8030 57.8188 41.5887 179.2783 8 Q 4.0116 8.0595 119.0044 59.1665 29.0957 177.7866 9 E 3.9417 8.2304 119.6360 59.5261 29.4777 179.4838 10 I 3.6696 7.9698 119.8125 64.3969 37.2078 178.5721 11 I 3.6221 7.8622 120.6355 64.2434 36.9657 178.3255 12 K 3.8150 8.2731 120.7810 59.8900 31.8906 178.9277 13 T 3.6016 7.8356 115.8805 66.5146 68.3085 176.7144 14 L 3.9582 8.2711 121.3443 57.7302 41.3573 179.2729 15 N 4.2510 8.3596 115.9716 56.4570 38.2739 177.3036 16 S 4.1301 7.8488 116.3977 61.4696 62.3539 176.6919 17 L 4.1725 8.1084 122.3099 57.7903 41.2120 178.8535 18 T 4.3862 7.8894 106.7520 62.1830 69.1251 175.2098 19 E 4.5935 7.4996 119.1488 55.3679 30.6307 175.3006 20 Q 4.6324 7.4563 115.6747 54.9656 32.0571 174.9353 21 K 5.1665 9.6490 119.7690 55.8977 34.3066 174.9227 22 T 4.5632 8.4280 115.5957 62.2149 70.0537 172.5634 23 L 3.9691 8.2457 124.5615 58.7281 41.7166 178.4983 24 C 4.3353 8.0833 118.4276 62.5244 31.6926 174.9886 25 T 4.1469 7.7204 109.9047 63.3030 68.4954 175.5417 26 E 4.4234 7.6128 119.1138 56.3684 30.2093 176.1839 27 L 4.5594 7.7559 120.5703 54.7984 43.3646 175.9114 28 T 5.2709 8.4426 110.2987 60.5149 71.5458 173.7372 29 V 4.6516 8.7471 114.1832 59.5763 36.4538 175.3123 30 T 4.1821 8.3681 119.6174 63.9776 69.2238 174.7238 31 D 4.7815 9.1061 127.1659 52.5491 40.1916 176.5829 32 I 3.6515 8.0661 119.4028 62.9045 37.7260 177.9336 33 F 4.6343 7.6969 118.2416 57.7657 38.6242 175.9007 34 A 4.4302 7.8707 123.0482 52.0565 19.3788 178.1292 35 A 4.2653 7.3895 119.1307 52.1680 18.9252 178.1269 36 S 4.5104 8.5360 113.7581 58.3553 63.2316 174.3222 37 K 3.7912 7.3857 117.0455 58.2399 29.1980 177.6372 38 N 4.7799 7.7579 116.2429 50.8467 36.3492 173.7413 39 T 4.5020 7.4116 118.2282 61.9100 73.3087 174.8027 40 T 4.0011 8.4527 117.1418 61.6664 70.7359 174.6856 41 E 3.6097 8.5855 122.2668 59.4833 29.6222 179.3748 42 K 4.2048 7.9076 117.9561 59.5197 32.1613 179.0894 43 E 4.0295 8.1764 118.8758 59.5710 29.3261 179.4860 44 T 3.7915 7.9091 115.9258 66.5702 68.3645 176.7739 45 F 4.4475 7.7679 119.6530 60.6598 38.9139 176.9194 46 C 4.0512 8.4342 118.1835 59.5992 41.4041 175.7612 47 R 3.8252 8.1425 119.4464 59.2508 29.6852 178.9166 48 A 4.1524 8.0948 120.1552 55.2598 18.3660 179.5212 49 A 4.2280 7.8725 120.9102 54.7772 18.0490 180.1171 50 T 3.9885 7.5780 114.1913 67.0649 68.6587 177.4135 51 V 3.8285 7.5481 115.5841 63.8746 31.4069 178.7554 52 L 4.0093 7.8592 118.7909 57.6109 41.4874 179.3926 53 R 2.8717 8.2311 118.9405 59.1652 29.5130 178.5050 54 Q 3.7120 8.0965 117.9125 58.7525 28.6817 178.7507 55 F 3.9254 8.0930 121.6886 61.5173 39.6438 176.9031 56 Y 4.4583 8.3021 117.4919 60.0087 37.6067 178.1421 57 S 4.1741 7.4779 116.5367 61.9629 63.0190 176.0634 58 H 4.4054 7.9227 117.4694 57.9262 28.8578 176.4600 59 H 4.8074 7.9027 115.4323 55.1414 29.3854 175.4160 60 E 4.1060 8.1796 122.4450 58.6354 29.5607 177.7016 61 K 4.6121 7.8364 115.4090 55.8825 32.9974 175.0914 62 D 4.5114 7.9088 120.2020 53.8978 41.4242 177.4220 63 T 3.8663 8.5317 117.6637 64.7665 68.7293 176.3184 64 R 4.0574 8.2980 120.1600 58.4327 30.0888 177.5072 65 C 4.6263 7.9342 115.1569 60.5833 29.8017 175.6898 66 L 3.9728 7.6959 120.5995 55.2812 41.2700 178.0607 67 G 4.1633 7.8482 103.1483 45.6490 0.0000 172.9643 68 A 4.2282 9.1471 124.4639 54.2725 19.6358 179.1331 69 T 4.4090 7.7955 105.4968 60.5516 71.6283 175.4152 70 A 4.1003 8.4777 123.0925 55.5325 18.3588 179.7831 71 Q 3.9530 8.0637 117.4579 59.4851 29.2386 178.3276 72 Q 4.0749 8.3491 119.1830 58.8549 28.6612 178.4622 73 F 5.0007 8.5595 123.3059 61.1160 39.3639 176.5361 74 H 3.8752 8.6001 118.2087 59.5218 29.5714 177.5087 75 R 3.8270 8.1663 119.6965 59.1140 29.7764 178.5361 76 H 4.1348 8.4046 118.2239 59.3270 29.8736 177.4232 77 K 3.7047 7.9959 120.3948 59.4216 31.7162 179.3508 78 Q 3.3198 7.9791 118.5336 58.5201 28.5764 178.4123 79 L 3.9467 7.8954 121.5583 58.3926 42.0159 179.2052 80 I 3.6938 7.6828 119.5682 64.2696 37.0231 178.3222 81 R 3.7065 7.8612 119.7228 59.5617 29.7597 178.6438 82 F 4.5821 8.1340 117.8747 60.4452 38.8001 177.7249 83 L 4.0810 8.4914 119.1837 57.8486 41.4144 179.7030 84 K 3.7193 8.0504 118.5913 59.3053 31.9511 179.4029 85 R 3.9207 8.1772 119.0368 59.3335 29.9523 178.3662 86 L 3.9757 8.2938 120.4827 58.1053 42.1621 178.4846 87 D 4.2672 8.3963 118.2878 57.1715 41.3647 177.8881 88 R 4.1091 8.5013 119.7448 59.8514 30.1574 178.1693 89 N 4.3531 8.1276 115.8057 56.2837 38.4590 177.3726 90 L 3.7403 8.1723 120.6538 57.6713 41.8420 179.6924 91 W 4.5157 8.5105 119.2578 59.7713 28.6867 178.8493 92 G 3.7217 7.9177 104.7305 47.7494 0.0000 175.4561 93 L 4.1722 7.5687 119.9943 57.2452 41.6769 179.0029 94 A 4.3830 8.2832 120.6005 53.3217 18.9091 178.0299 95 G 4.0444 7.9857 103.8957 45.7695 0.0000 172.9239 96 L 4.4688 7.5670 115.3942 54.2090 44.9408 173.0868 97 N 5.1019 8.8764 121.2739 53.6546 41.0073 174.8236 98 S 4.5664 7.9980 112.7450 57.2079 61.8245 171.7645 99 C 4.8471 8.0816 121.5552 53.1828 42.0477 171.7899 100 P 4.4365 0.0000 0.0000 63.4405 31.6749 176.7686 101 V 4.3147 8.2615 114.6078 59.8564 33.1166 175.8096 102 K 4.4679 8.4478 122.6372 56.0328 33.1453 176.5059 103 E 4.1192 7.9361 118.7193 56.2883 30.2145 176.7445 104 A 4.1747 8.5722 125.6036 54.9130 19.4268 177.8626 105 N 4.3733 8.0903 114.2329 54.6947 39.8828 173.2998 106 Q 5.2140 8.7194 123.9494 54.2289 31.3102 174.8817 107 S 5.0668 8.8640 117.3469 56.1528 66.8354 173.8273 108 T 4.4259 8.4338 110.5206 61.4949 69.3630 174.9721 109 L 3.8059 8.7691 125.1986 58.2056 41.9252 178.9999 110 E 3.9223 8.2478 119.1924 59.6443 29.5932 178.6963 111 N 4.3666 8.2481 116.3111 56.1923 38.4814 177.2546 112 F 4.2177 8.5394 122.1443 61.3646 39.4670 177.2334 113 L 4.0563 8.4982 118.9848 57.8374 41.4183 179.3349 114 E 3.8875 8.3407 118.6118 59.3345 29.4023 179.4384 115 R 3.5759 7.9350 118.7203 59.1462 29.9944 178.2818 116 L 3.6002 7.6974 120.4619 57.8389 41.9887 178.8499 117 K 3.8520 8.2224 119.9454 59.6640 32.0951 178.8654 118 T 3.7655 7.8051 115.9594 66.7200 68.3848 176.5613 119 I 3.6151 7.5202 121.5215 64.6754 37.0423 178.5153 120 M 4.1794 8.3048 119.7228 58.4910 31.7477 179.0195 121 R 3.9201 8.4058 118.6857 59.0968 30.0680 178.7988 122 E 3.9244 8.2339 119.2331 59.1106 29.4439 178.8509 123 K 3.9352 7.9375 117.3605 59.6945 32.4841 178.2073 124 Y 4.0721 8.2286 119.6443 60.8699 38.5627 178.0954 125 S 4.2476 8.5628 114.2611 61.5073 62.2973 176.1239 126 K 4.1084 8.2300 119.6736 58.7058 31.8468 177.9858 127 C 4.4828 7.9603 116.5170 57.1562 40.6005 173.5116 128 S 4.7461 6.8881 113.9084 55.6687 65.1631 174.2499 129 S 4.2710 8.4204 114.0781 58.6945 62.7545 174.0969 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 H 8.30 4.70 0.00 3.20 3.35 0.00 5.65 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 2 K 8.27 3.92 0.00 1.90 1.91 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.56 7.81 3 C 8.04 4.93 0.00 2.88 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 7.68 4.58 0.00 2.80 2.50 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 5 I 8.24 3.85 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.53 0.91 0.00 0.00 6 T 8.45 3.88 4.19 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 1.14 0.00 0.00 7 L 8.11 3.98 0.00 1.79 1.88 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.06 4.01 0.00 2.38 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.88 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 9 E 8.23 3.94 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 2.33 2.50 0.00 10 I 7.97 3.67 1.99 0.00 0.00 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 1.46 0.67 0.90 0.00 0.00 11 I 7.86 3.62 1.79 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.65 0.77 0.00 0.00 12 K 8.27 3.81 0.00 1.72 1.83 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.40 7.81 13 T 7.84 3.60 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 1.17 0.00 0.00 14 L 8.27 3.96 0.00 1.79 1.67 0.90 0.57 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 15 N 8.36 4.25 0.00 2.69 2.80 0.00 0.00 7.08 7.50 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 16 S 7.85 4.13 0.00 3.23 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.11 4.17 0.00 1.80 1.75 1.06 0.75 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 18 T 7.89 4.39 4.38 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 1.21 0.00 0.00 19 E 7.50 4.59 0.00 2.17 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 2.50 2.31 0.00 20 Q 7.46 4.63 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.20 6.63 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 21 K 9.65 5.17 0.00 1.76 1.78 0.00 1.86 0.00 0.00 2.14 0.00 0.00 2.82 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.75 1.39 7.81 22 T 8.43 4.56 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 1.28 0.00 0.00 23 L 8.25 3.97 0.00 1.78 1.71 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.08 4.34 0.00 3.15 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 T 7.72 4.15 4.25 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 1.27 0.00 0.00 26 E 7.61 4.42 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 27 L 7.76 4.56 0.00 1.89 1.64 0.70 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.44 5.27 4.38 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 1.26 0.00 0.00 29 V 8.75 4.65 1.65 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 0.66 0.00 0.00 0.49 0.00 0.00 30 T 8.37 4.18 4.18 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 1.25 0.00 0.00 31 D 9.11 4.78 0.00 2.84 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 32 I 8.07 3.65 1.57 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 -0.36 0.84 0.00 0.00 33 F 7.70 4.63 0.00 3.24 3.03 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 0.00 0.00 0.00 34 A 7.87 4.43 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 7.39 4.27 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 36 S 8.54 4.51 0.00 4.00 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 37 K 7.39 3.79 0.00 2.06 1.97 0.00 1.69 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.59 1.37 7.81 38 N 7.76 4.78 0.00 2.81 2.84 0.00 0.00 6.12 7.71 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 39 T 7.41 4.50 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 1.16 0.00 0.00 40 T 8.45 4.00 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 41 E 8.59 3.61 0.00 1.95 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 1.72 2.17 0.00 42 K 7.91 4.20 0.00 1.88 2.01 0.00 1.77 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.90 1.62 7.81 43 E 8.18 4.03 0.00 2.02 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 2.36 0.00 44 T 7.91 3.79 4.03 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 0.00 0.00 1.18 0.00 0.00 45 F 7.77 4.45 0.00 3.24 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 46 C 8.43 4.05 0.00 3.12 3.28 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 47 R 8.14 3.83 0.00 2.00 1.89 0.00 3.15 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 48 A 8.09 4.15 1.51 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 0.00 0.00 49 A 7.87 4.23 -0.29 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 50 T 7.58 3.99 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 51 V 7.55 3.83 1.82 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 0.99 0.00 0.00 0.64 0.00 0.00 52 L 7.86 4.01 0.00 1.93 1.84 1.09 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.23 2.87 0.00 2.35 2.19 0.00 3.44 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.30 0.00 54 Q 8.10 3.71 0.00 2.21 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.30 2.64 0.00 55 F 8.09 3.93 0.00 3.07 3.21 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 56 Y 8.30 4.46 0.00 3.26 3.38 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 57 S 7.48 4.17 0.00 3.79 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 58 H 7.92 4.41 0.00 2.76 2.96 0.00 5.60 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 H 7.90 4.81 0.00 2.92 3.14 0.00 5.63 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.18 4.11 0.00 2.25 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 2.37 0.00 61 K 7.84 4.61 0.00 1.77 1.78 0.00 1.82 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.43 7.81 62 D 7.91 4.51 0.00 2.74 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 63 T 8.53 3.87 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 1.19 0.00 0.00 64 R 8.30 4.06 0.00 1.91 2.04 0.00 3.13 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 65 C 7.93 4.63 0.00 2.99 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.70 3.97 0.00 1.61 1.60 0.90 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.85 4.16 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 0.00 0.00 0.00 68 A 9.15 4.23 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 69 T 7.80 4.41 4.27 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 1.23 0.00 0.00 70 A 8.48 4.10 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 71 Q 8.06 3.95 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.86 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 72 Q 8.35 4.07 0.00 2.36 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 73 F 8.56 5.00 0.00 3.12 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 74 H 8.60 3.88 0.00 3.26 3.47 0.00 5.83 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 75 R 8.17 3.83 0.00 2.07 1.98 0.00 3.23 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 76 H 8.40 4.13 0.00 3.47 3.63 0.00 5.79 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 77 K 8.00 3.70 0.00 1.55 1.54 0.00 1.38 0.00 0.00 1.14 0.00 0.00 2.13 0.00 0.00 2.33 0.00 0.00 0.00 0.00 1.20 0.85 7.81 78 Q 7.98 3.32 0.00 1.98 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.77 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 79 L 7.90 3.95 0.00 1.81 1.83 0.97 1.34 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 80 I 7.68 3.69 1.72 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 1.38 0.64 0.88 0.00 0.00 81 R 7.86 3.71 0.00 1.73 1.64 0.00 3.00 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 82 F 8.13 4.58 0.00 3.12 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.49 4.08 0.00 1.85 1.96 1.11 1.06 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 84 K 8.05 3.72 0.00 1.72 1.67 0.00 1.40 0.00 0.00 1.34 0.00 0.00 2.68 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.30 0.49 7.81 85 R 8.18 3.92 0.00 1.96 2.18 0.00 3.14 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 86 L 8.29 3.98 0.00 1.87 1.97 0.93 1.52 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 87 D 8.40 4.27 0.00 3.33 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 88 R 8.50 4.11 0.00 2.07 2.21 0.00 3.19 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 1.69 1.78 0.00 89 N 8.13 4.35 0.00 3.02 2.80 0.00 0.00 7.10 6.70 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 90 L 8.17 3.74 0.00 1.58 1.49 0.92 0.87 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 91 W 8.51 4.52 0.00 3.47 3.12 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 0.00 0.00 0.00 92 G 7.92 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 93 L 7.57 4.17 0.00 1.39 1.17 -0.21 0.65 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 94 A 8.28 4.38 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.99 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.57 4.47 0.00 1.64 1.64 1.05 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 97 N 8.88 5.10 0.00 2.56 2.74 0.00 0.00 7.04 7.63 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 98 S 8.00 4.57 0.00 4.05 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 99 C 8.08 4.85 0.00 3.07 3.15 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 0.00 0.00 0.00 0.00 100 P 0.00 4.44 0.00 2.21 2.11 0.00 3.75 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 101 V 8.26 4.31 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 0.80 0.00 0.00 0.91 0.00 0.00 102 K 8.45 4.47 0.00 1.71 1.82 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.42 7.81 103 E 7.94 4.12 0.00 1.92 1.88 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 2.48 2.37 0.00 104 A 8.57 4.17 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 0.00 105 N 8.09 4.37 0.00 2.89 2.76 0.00 0.00 6.99 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 8.72 5.21 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.57 0.00 0.00 0.00 0.00 0.00 2.42 2.29 0.00 107 S 8.86 5.07 0.00 3.94 4.06 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 0.00 108 T 8.43 4.43 4.46 0.00 0.00 0.00 0.00 0.00 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 0.00 109 L 8.77 3.81 0.00 1.18 1.63 0.39 0.34 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 0.00 110 E 8.25 3.92 0.00 2.22 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 2.32 2.37 0.00 111 N 8.25 4.37 0.00 3.03 2.91 0.00 0.00 6.74 7.91 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 0.00 112 F 8.54 4.22 0.00 3.22 3.24 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 0.00 113 L 8.50 4.06 0.00 1.88 1.73 0.92 1.25 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 0.00 114 E 8.34 3.89 0.00 2.08 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 2.48 2.44 0.00 115 R 7.94 3.58 0.00 1.76 1.40 0.00 2.81 0.00 0.00 2.87 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.50 0.00 116 L 7.70 3.60 0.00 1.61 1.69 1.06 0.96 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 0.00 117 K 8.22 3.85 0.00 1.87 1.85 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.41 7.81 118 T 7.81 3.77 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 1.11 0.00 0.00 119 I 7.52 3.62 1.83 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.47 0.88 0.00 0.00 120 M 8.30 4.18 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.98 0.00 121 R 8.41 3.92 0.00 1.77 1.93 0.00 3.04 0.00 0.00 3.02 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.78 0.00 122 E 8.23 3.92 0.00 2.14 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 2.28 2.39 0.00 123 K 7.94 3.94 0.00 2.05 1.97 0.00 1.98 0.00 0.00 2.04 0.00 0.00 2.89 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.52 1.62 7.81 124 Y 8.23 4.07 0.00 3.13 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 0.00 125 S 8.56 4.25 0.00 4.05 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 K 8.23 4.11 0.00 1.89 1.85 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.59 1.62 7.81 127 C 7.96 4.48 0.00 2.90 2.97 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 0.00 128 S 6.89 4.75 0.00 3.89 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 S 8.42 4.27 0.00 4.00 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