NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.5325 8.3044 120.2866 55.2880 33.8989 174.0986 3 V 4.1267 8.0488 121.2368 59.5952 33.0745 173.2686 4 W 4.4710 9.0941 135.0000 57.4522 31.9071 174.6463 5 T 4.0719 7.9691 122.1881 61.1627 67.1838 172.5591 6 P 4.4905 0.0000 0.0000 63.5564 32.1604 175.8374 7 V 4.0523 7.4082 119.5543 62.8053 32.6670 175.2654 8 N 4.2510 8.6229 124.9311 54.9512 36.2120 173.4559 9 N 5.0302 7.6391 109.1446 52.9537 39.9569 174.1524 10 K 4.2062 8.2947 116.3249 56.4919 32.9249 176.5113 11 M 5.1190 8.3339 120.1530 53.9570 35.4896 175.2569 12 F 4.6207 8.3114 116.5540 57.2910 41.1386 176.6714 13 E 3.5000 8.4214 121.4131 57.0638 27.6476 175.3266 14 T 3.7784 8.3732 122.0666 66.5345 68.9515 174.2432 15 F 4.4996 8.9412 124.0967 57.6027 36.7271 176.4737 16 S 4.4808 8.2013 114.9041 60.4909 62.9821 174.5371 17 Y 4.3883 8.3105 117.2875 58.2685 38.1790 175.0846 18 L 4.7136 7.5961 119.9474 52.1404 43.6263 174.5751 19 P 4.4264 0.0000 0.0000 62.0606 31.7988 175.0350 20 P 4.3852 0.0000 0.0000 62.5648 31.8536 176.3993 21 L 4.0252 8.2920 122.2405 54.5583 42.2332 178.0069 22 T 4.2014 8.1979 114.2736 61.4123 71.0570 175.1287 23 D 4.3756 8.4609 120.1408 57.2774 40.7762 178.6001 24 E 3.9521 8.0960 119.6146 59.1950 29.5740 178.7135 25 Q 3.9392 8.0173 118.3573 58.7201 28.7638 178.5823 26 I 3.7314 7.9444 120.7357 64.2470 37.0922 178.0945 27 A 4.0288 8.2070 121.4960 55.3592 18.1716 179.4580 28 A 3.9595 8.0297 119.0366 55.5589 18.4020 179.9574 29 Q 4.0971 7.8903 116.4213 58.9482 28.8078 178.9605 30 V 3.7216 8.1463 119.4100 66.1742 31.5438 177.6514 31 D 4.4310 8.5123 118.9800 57.7502 40.1663 178.3104 32 Y 4.2095 8.2060 119.8540 60.6798 38.7653 178.1920 33 I 3.9286 7.8998 120.7847 64.4555 37.2905 178.6586 34 V 3.5135 7.9366 118.7647 65.9816 31.2020 177.8642 35 A 3.9199 8.0632 119.6121 54.6952 18.2274 178.3464 36 N 4.0953 7.0233 111.1592 52.0735 38.7055 175.5821 37 G 3.7875 7.4268 108.2733 46.2009 0.0000 174.1112 38 W 5.0028 7.5812 118.6767 55.9016 30.7745 176.3805 39 I 4.3678 8.8087 123.3813 59.6149 37.8877 173.9188 40 P 4.9343 0.0000 0.0000 62.8153 32.7124 175.1899 41 C 5.0242 8.8524 121.9098 58.2476 35.6794 172.4150 42 L 5.3202 8.7759 123.5387 53.2049 44.4847 175.2053 43 E 5.6286 9.2117 121.0744 54.8759 34.0377 174.6419 44 F 5.6425 9.1944 116.5289 55.8122 42.1873 173.0877 45 A 4.4819 8.3723 120.4162 50.1082 22.6553 176.2562 46 E 4.2235 8.6995 119.1669 55.8654 30.6175 177.6761 47 A 4.2979 8.8987 123.0930 55.9169 18.3654 179.7728 48 D 4.5517 8.1656 112.9151 56.3015 41.0485 177.1713 49 K 4.6095 8.0048 117.2221 56.0468 32.5815 176.7394 50 A 3.9698 7.6788 124.4959 53.6843 19.1361 178.2155 51 Y 4.6422 7.4661 111.5884 55.6157 40.0317 175.7455 52 V 3.8349 8.3845 122.6627 63.9129 32.0755 175.3235 53 S 4.7315 8.8687 119.5390 57.6146 66.0091 173.6087 54 N 5.2165 8.5972 114.4588 52.2590 39.8771 176.0249 55 E 3.9226 8.3817 118.6189 59.8679 29.3691 179.2243 56 S 4.0391 8.9048 115.6075 60.7205 62.8266 176.0839 57 A 2.5800 7.7519 123.3121 53.5248 17.7428 179.0354 58 I 3.5232 6.8665 115.9875 63.7753 38.0143 177.1524 59 R 4.2467 7.3881 116.2956 55.7937 30.5965 176.3976 60 F 5.0168 7.1745 118.1241 56.1511 40.9941 177.6848 61 G 4.0012 8.2911 116.3997 46.2383 0.0000 175.6191 62 S 4.6266 8.4319 114.3430 58.2584 61.8800 174.3335 63 V 4.4609 7.2018 107.1313 61.1801 33.2014 177.6078 64 S 4.5157 8.2182 114.8005 59.2950 63.7094 173.3706 65 C 3.9654 8.1071 118.9225 61.6070 27.9478 173.1793 66 L 3.6085 8.4631 122.9341 55.5884 38.9808 173.1598 67 Y 4.3818 7.7834 119.8488 55.9909 39.8140 174.6326 68 Y 4.8754 7.2837 123.5252 56.1642 42.2425 174.8867 69 D 4.4655 8.8054 123.6142 55.5013 41.6185 176.6570 70 N 4.4132 8.8853 116.9435 54.4288 35.9101 176.1644 71 R 3.9464 8.0535 118.6019 59.3552 30.3836 177.1774 72 Y 4.3181 7.6731 114.5388 58.0542 38.2760 175.4525 73 W 5.0477 8.7018 124.3637 55.4414 32.6591 174.5706 74 T 4.3269 8.0938 117.0861 62.4925 69.5806 174.5670 75 M 4.6586 8.5132 126.6587 55.2744 33.1081 175.2598 76 W 4.7900 9.6528 135.0000 56.3982 31.2274 176.9370 77 K 3.4387 8.5976 129.1135 57.5738 30.6538 178.1968 78 L 4.9331 8.2648 124.6325 52.6786 45.0184 174.0737 79 P 4.3676 0.0000 0.0000 63.3118 32.0602 177.6004 80 M 4.3168 8.6957 123.2307 53.8366 30.3684 175.3192 81 F 4.4265 7.4981 119.0468 58.6844 39.9947 176.2901 82 G 3.9671 9.1190 112.5685 45.7178 0.0000 172.7819 83 C 4.3392 7.8379 120.4687 59.2412 31.8222 173.2882 84 R 4.5105 8.6504 123.8689 55.5915 31.0994 174.4681 85 D 4.8314 7.8212 118.8384 51.7423 42.2411 174.7964 86 P 4.3331 0.0000 0.0000 65.9457 31.2683 178.5596 87 M 4.1304 8.2161 117.2007 58.2382 31.9151 178.3054 88 Q 3.9789 7.9390 119.9320 59.0489 29.2363 178.5676 89 V 3.6056 7.7358 118.7168 66.1390 31.7792 177.7656 90 L 4.0381 8.0056 118.6728 58.0274 41.3966 179.8585 91 R 3.9859 8.2682 118.0315 59.2354 29.8828 178.9281 92 E 4.1483 8.1298 118.0044 59.0247 29.4477 179.3236 93 I 3.5221 7.8033 120.1393 64.2453 37.1871 178.4056 94 V 3.4685 7.6293 118.6247 65.9821 31.3500 177.8082 95 A 3.9144 7.9927 120.3688 55.2749 18.2412 179.2032 96 C 2.0000 7.5269 117.4547 62.0713 31.3139 175.9640 97 T 3.7639 7.5834 111.2891 64.3949 68.0324 176.4839 98 K 3.8147 7.6268 121.8232 59.2193 32.2850 178.4241 99 A 3.9419 7.5435 120.1956 53.4317 19.8996 177.6416 100 F 4.7495 7.6284 115.4971 55.1858 39.1289 173.9494 101 P 4.5242 0.0000 0.0000 64.0864 31.9525 177.8303 102 D 4.6832 8.0725 117.0659 53.9095 41.2023 175.3899 103 A 4.8276 7.3654 120.7122 50.3369 21.3975 177.0399 104 Y 4.2543 8.5263 117.8496 57.8735 39.3845 175.2514 105 V 5.1940 8.9863 123.2804 61.1605 35.2048 174.2661 106 R 5.0294 9.5549 124.0223 54.2728 32.9579 173.8862 107 L 4.8590 8.1123 123.4132 53.9346 44.0386 175.6694 108 V 4.8883 8.5761 118.0223 59.6069 36.5328 174.0333 109 A 4.9641 7.9951 121.4771 50.6218 22.8132 175.2374 110 F 5.2021 9.0087 119.6043 55.7458 42.5390 174.2050 111 D 5.3008 8.8369 122.8163 52.8232 42.2206 176.6585 112 N 4.7562 9.1499 123.0436 54.1704 38.3772 176.2800 113 Q 4.1977 8.6883 118.7691 58.6713 29.0236 177.3858 114 K 4.0644 8.3110 114.9491 56.6297 33.1707 176.3079 115 Q 3.4464 8.0267 118.8644 56.2796 27.0881 172.5701 116 V 4.5652 7.7304 117.2522 59.8983 35.1857 174.6333 117 Q 4.2773 8.6807 122.7832 56.3755 29.3223 175.4736 118 I 4.1860 8.0615 125.0596 61.3499 39.6297 174.4930 119 M 4.5831 6.7259 117.4040 54.4606 34.4003 173.7245 120 G 4.2623 8.3776 105.0828 46.0449 0.0000 172.5173 121 F 5.1152 7.8146 117.5993 55.2002 41.7320 173.1351 122 L 4.4936 8.8225 122.9494 55.6449 41.9448 176.7803 123 V 4.4953 8.8621 118.5443 61.6089 34.2051 175.8151 124 Q 4.6087 7.8663 121.0297 54.2675 32.4953 173.4759 125 R 4.3675 8.1643 121.6876 52.9307 32.6410 173.6108 126 P 4.1779 0.0000 0.0000 62.7747 31.6872 177.5997 127 K 4.0779 8.4757 119.9008 59.1632 32.1169 177.9886 128 T 4.1823 7.7319 106.7285 61.8214 69.4289 174.7129 129 A 4.2676 7.8127 126.7673 52.8794 18.5598 177.4545 130 R 4.6767 8.7825 121.6635 56.0844 31.5104 175.5865 131 D 4.9216 8.5420 115.8808 52.7840 39.7834 175.3511 132 F 5.3165 7.8278 113.2265 55.4041 40.9818 173.8490 133 Q 4.4040 8.3296 120.2483 53.0316 31.1956 174.1732 134 P 4.4745 0.0000 0.0000 62.3152 32.3907 176.9444 135 A 3.9593 8.9435 123.6943 55.7059 18.1043 179.3655 136 N 4.6476 8.1001 108.9753 54.0027 37.7436 175.4773 137 K 4.4466 7.8464 117.8913 56.3720 32.7945 177.3987 138 R 3.5629 7.6572 121.6350 57.9380 30.1029 176.8110 139 S 5.0428 7.4958 109.9421 56.3102 66.0937 174.2003 140 V 3.9827 8.4488 114.5268 61.6999 31.9268 175.6574 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 2 M 8.30 4.53 0.00 1.98 2.15 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.58 0.00 3 V 8.05 4.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.97 0.00 0.00 4 W 9.09 4.47 0.00 3.42 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 5 T 7.97 4.07 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 1.04 0.00 0.00 6 P 0.00 4.49 0.00 2.23 2.19 0.00 3.78 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 7 V 7.41 4.05 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 0.76 0.00 0.00 0.91 0.00 0.00 8 N 8.62 4.25 0.00 2.89 2.88 0.00 0.00 6.79 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 N 7.64 5.03 0.00 2.64 2.66 0.00 0.00 7.30 6.68 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 10 K 8.29 4.21 0.00 1.94 1.55 0.00 0.61 0.00 0.00 1.15 0.00 0.00 2.55 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.33 1.38 7.81 11 M 8.33 5.12 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.68 0.00 12 F 8.31 4.62 0.00 3.13 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.42 3.50 0.00 2.14 1.74 0.00 0.00 0.00 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 2.13 0.00 14 T 8.37 3.78 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 0.16 0.00 0.00 15 F 8.94 4.50 0.00 3.32 3.13 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 16 S 8.20 4.48 0.00 4.17 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 0.00 17 Y 8.31 4.39 0.00 3.01 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 18 L 7.60 4.71 0.00 1.90 1.62 0.92 0.93 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 19 P 0.00 4.43 0.00 2.03 2.01 0.00 3.71 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 2.03 2.14 0.00 20 P 0.00 4.39 0.00 2.05 2.01 0.00 3.70 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 2.07 2.17 0.00 21 L 8.29 4.03 0.00 1.62 1.52 0.35 0.54 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 22 T 8.20 4.20 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 23 D 8.46 4.38 0.00 2.71 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.10 3.95 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 25 Q 8.02 3.94 0.00 2.28 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.59 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 26 I 7.94 3.73 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.94 1.09 0.00 0.00 27 A 8.21 4.03 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 28 A 8.03 3.96 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 29 Q 7.89 4.10 0.00 2.38 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.34 1.84 0.00 30 V 8.15 3.72 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 1.10 0.00 0.00 1.10 0.00 0.00 31 D 8.51 4.43 0.00 2.98 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.21 4.21 0.00 3.08 3.31 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 33 I 7.90 3.93 2.17 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.90 1.07 0.00 0.00 34 V 7.94 3.51 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 1.01 0.00 0.00 0.96 0.00 0.00 35 A 8.06 3.92 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 36 N 7.02 4.10 0.00 1.44 1.42 0.00 0.00 7.02 7.53 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 37 G 7.43 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 38 W 7.58 5.00 0.00 3.35 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 39 I 8.81 4.37 2.11 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.95 0.74 0.00 0.00 40 P 0.00 4.93 0.00 2.10 1.99 0.00 3.79 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 41 C 8.85 5.02 0.00 3.14 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.78 5.32 0.00 1.88 1.65 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 43 E 9.21 5.63 0.00 2.06 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 2.37 2.33 0.00 44 F 9.19 5.64 0.00 3.03 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 45 A 8.37 4.48 -0.19 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 0.00 0.00 46 E 8.70 4.22 0.00 2.17 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 2.28 0.00 47 A 8.90 4.30 1.50 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 48 D 8.17 4.55 0.00 2.70 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.00 4.61 0.00 1.53 1.69 0.00 1.70 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.42 7.81 50 A 7.68 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 7.47 4.64 0.00 2.93 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.38 3.83 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 0.65 0.00 0.00 0.76 0.00 0.00 53 S 8.87 4.73 0.00 4.05 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.60 5.22 0.00 2.76 2.84 0.00 0.00 6.58 7.66 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 55 E 8.38 3.92 0.00 2.15 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 2.39 2.38 0.00 56 S 8.90 4.04 0.00 4.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 7.75 2.58 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 6.87 3.52 1.78 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 1.47 0.80 0.88 0.00 0.00 59 R 7.39 4.25 0.00 1.89 2.00 0.00 3.19 0.00 0.00 3.22 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 60 F 7.17 5.02 0.00 2.99 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 61 G 8.29 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 S 8.43 4.63 0.00 3.86 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.20 4.46 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.49 0.00 0.00 64 S 8.22 4.52 0.00 4.12 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 0.00 65 C 8.11 3.97 0.00 2.96 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 66 L 8.46 3.61 0.00 1.78 1.76 0.94 0.99 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 67 Y 7.78 4.38 0.00 2.91 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 68 Y 7.28 4.88 0.00 2.80 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 69 D 8.81 4.47 0.00 2.80 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 70 N 8.89 4.41 0.00 3.07 3.24 0.00 0.00 7.00 7.66 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 71 R 8.05 3.95 0.00 1.50 1.68 0.00 3.08 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 72 Y 7.67 4.32 0.00 3.07 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 73 W 8.70 5.05 0.00 3.08 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 74 T 8.09 4.33 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 0.93 0.00 0.00 75 M 8.51 4.66 0.00 2.08 2.04 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 2.71 2.79 0.00 76 W 9.65 4.79 0.00 3.70 3.33 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 77 K 8.60 3.44 0.00 1.64 0.76 0.00 1.51 0.00 0.00 1.52 0.00 0.00 2.73 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.84 0.21 7.81 78 L 8.26 4.93 0.00 1.61 1.60 1.01 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.37 0.00 0.68 1.81 0.00 3.68 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 1.93 2.11 0.00 80 M 8.70 4.32 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 81 F 7.50 4.43 0.00 3.10 2.98 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 82 G 9.12 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 83 C 7.84 4.34 0.00 2.97 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 84 R 8.65 4.51 0.00 1.80 1.87 0.00 3.23 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 85 D 7.82 4.83 0.00 2.74 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.33 0.00 2.22 2.20 0.00 3.67 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 87 M 8.22 4.13 0.00 2.04 2.26 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.55 0.00 88 Q 7.94 3.98 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 89 V 7.74 3.61 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 1.05 0.00 0.00 0.97 0.00 0.00 90 L 8.01 4.04 0.00 1.90 1.72 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 91 R 8.27 3.99 0.00 2.09 2.01 0.00 3.14 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 1.66 1.89 0.00 92 E 8.13 4.15 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.64 0.00 93 I 7.80 3.52 1.99 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.86 0.85 0.00 0.00 94 V 7.63 3.47 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 0.97 0.00 0.00 0.98 0.00 0.00 95 A 7.99 3.91 1.50 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 96 C 7.53 2.00 0.00 1.23 2.40 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 97 T 7.58 3.76 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 1.12 0.00 0.00 98 K 7.63 3.81 0.00 1.77 1.98 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.38 7.81 99 A 7.54 3.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 F 7.63 4.75 0.00 2.84 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 0.00 101 P 0.00 4.52 0.00 2.12 2.10 0.00 3.27 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.87 0.00 102 D 8.07 4.68 0.00 2.68 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 0.00 103 A 7.37 4.83 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 0.00 104 Y 8.53 4.25 0.00 2.56 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 0.00 105 V 8.99 5.19 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 1.05 0.00 0.00 0.90 0.00 0.00 106 R 9.55 5.03 0.00 1.83 1.92 0.00 2.31 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.34 0.00 107 L 8.11 4.86 0.00 1.50 0.74 0.86 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.58 4.89 1.63 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 0.50 0.00 0.00 0.51 0.00 0.00 109 A 8.00 4.96 1.16 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 0.00 110 F 9.01 5.20 0.00 2.99 2.92 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 0.00 111 D 8.84 5.30 0.00 2.40 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 0.00 0.00 0.00 0.00 112 N 9.15 4.76 0.00 2.94 3.06 0.00 0.00 6.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 8.69 4.20 0.00 2.29 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.98 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 114 K 8.31 4.06 0.00 1.76 1.87 0.00 2.15 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.46 7.81 115 Q 8.03 3.45 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.76 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 116 V 7.73 4.57 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 0.54 0.00 0.00 0.91 0.00 0.00 117 Q 8.68 4.28 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.89 0.00 0.00 0.00 0.00 0.00 2.17 1.91 0.00 118 I 8.06 4.19 1.21 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.29 -0.41 0.00 0.00 119 M 6.73 4.58 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.74 0.00 120 G 8.38 4.26 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 0.00 121 F 7.81 5.12 0.00 3.26 3.34 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 0.00 122 L 8.82 4.49 0.00 1.66 1.64 0.84 0.29 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 0.00 123 V 8.86 4.50 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 0.66 0.00 0.00 0.93 0.00 0.00 124 Q 7.87 4.61 0.00 1.99 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.83 0.00 0.00 0.00 0.00 0.00 2.27 2.23 0.00 125 R 8.16 4.37 0.00 1.25 1.52 0.00 2.21 0.00 0.00 2.90 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.25 0.00 126 P 0.00 4.18 0.00 2.09 2.15 0.00 2.20 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.53 0.00 127 K 8.48 4.08 0.00 1.74 1.91 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.39 7.81 128 T 7.73 4.18 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 1.22 0.00 0.00 129 A 7.81 4.27 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 0.00 130 R 8.78 4.68 0.00 1.79 1.87 0.00 3.20 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.81 0.00 131 D 8.54 4.92 0.00 2.90 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 0.00 132 F 7.83 5.32 0.00 3.23 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 0.00 133 Q 8.33 4.40 0.00 1.86 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.05 0.00 0.00 0.00 0.00 0.00 2.31 2.03 0.00 134 P 0.00 4.47 0.00 2.20 2.18 0.00 3.53 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.86 0.00 135 A 8.94 3.96 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 0.00 136 N 8.10 4.65 0.00 2.83 2.94 0.00 0.00 5.86 7.13 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 0.00 137 K 7.85 4.45 0.00 1.60 1.70 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.30 1.29 7.81 138 R 7.66 3.56 0.00 1.70 0.66 0.00 3.10 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.17 0.00 139 S 7.50 5.04 0.00 4.01 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 0.00 140 V 8.45 3.98 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 0.61 0.00 0.00 0.95 0.00 0.00