NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.5391 8.3044 120.2867 55.2993 33.8648 174.0382 3 V 4.1376 8.0574 120.9550 59.6955 33.2286 173.1719 4 W 4.5155 9.0626 135.0000 57.1329 31.8568 174.8891 5 T 4.0057 7.9650 122.2390 61.3976 67.1861 172.4072 6 P 4.5275 0.0000 0.0000 63.2424 32.2103 175.6233 7 V 4.0637 7.3957 119.6153 62.5672 32.7667 175.3073 8 N 4.1957 8.6898 125.5185 54.9694 35.9933 173.4073 9 N 5.0346 7.5817 108.4595 52.9742 40.1619 174.1730 10 K 4.1207 8.5230 116.4317 56.4645 32.7534 176.7143 11 M 4.8924 8.3695 121.0838 53.9223 35.1094 175.2982 12 F 4.6467 8.1090 115.9616 57.5124 40.9393 176.4695 13 E 3.4590 8.2709 123.0485 57.2817 28.1068 175.8586 14 T 3.8492 8.3351 122.6232 66.3938 68.9261 174.2564 15 F 4.5422 9.0368 124.2884 57.5563 36.5603 176.3914 16 S 4.4777 8.2186 115.0065 60.3948 63.0176 174.5076 17 Y 4.3799 8.2651 117.2481 58.1685 38.2392 175.1329 18 L 4.6614 7.5532 119.9021 52.1931 43.5616 174.4981 19 P 4.4328 0.0000 0.0000 61.8552 31.7651 175.0502 20 P 4.2982 0.0000 0.0000 62.7526 31.7662 176.4586 21 L 3.9591 8.3377 122.8302 54.8086 42.1107 177.9812 22 T 4.2399 8.1954 114.1361 61.1612 71.1908 175.3057 23 D 4.3266 8.5132 120.7585 57.4494 40.7441 178.7303 24 E 3.9378 8.0688 119.4350 59.3646 29.7326 178.7710 25 Q 3.9312 7.9792 118.1840 58.7951 28.6445 178.6957 26 I 3.6802 8.0555 120.9589 64.3451 37.1310 178.1689 27 A 4.0087 8.1831 121.3873 55.2538 18.1617 179.5641 28 A 3.9564 8.0735 119.1381 55.4352 18.4616 179.9133 29 Q 4.0978 8.1183 116.6373 59.0897 28.8043 179.1512 30 V 3.7336 8.2812 119.5327 66.1911 31.6077 177.6924 31 D 4.4311 8.4397 118.7887 57.6117 40.6356 178.3023 32 Y 4.1376 8.0905 119.9047 60.6474 38.8335 177.9266 33 I 3.8839 7.9410 120.7547 64.6497 37.3177 178.6069 34 V 3.5255 7.9283 118.5763 65.9544 31.1599 177.8316 35 A 3.9159 8.1731 119.7615 54.6719 18.2489 178.3744 36 N 4.0856 7.1109 111.7280 52.0949 38.7038 175.6605 37 G 3.7768 7.3285 108.2843 46.1726 0.0000 174.1361 38 W 4.9545 7.5395 119.1350 56.1090 30.6990 176.1829 39 I 4.5301 8.8705 122.9013 59.1640 38.0334 174.0383 40 P 4.8737 0.0000 0.0000 63.1711 32.9227 174.8468 41 C 5.0136 8.9775 120.5237 58.4120 35.6534 172.2885 42 L 5.3093 8.7333 123.5447 53.1535 44.2759 175.2256 43 E 5.6366 9.2683 121.7649 54.8043 33.8226 174.7471 44 F 5.6750 9.2016 116.4380 55.8786 42.1578 173.0202 45 A 4.4831 8.3716 119.9425 50.2672 22.5892 176.2715 46 E 4.3050 8.5926 118.5723 55.6255 30.4097 177.6162 47 A 4.2751 8.8792 122.9014 55.9176 18.3571 179.7231 48 D 4.5732 8.1241 112.9878 56.2345 41.0967 177.1434 49 K 4.6025 7.9711 117.4790 56.0531 32.6982 176.8564 50 A 3.8507 7.6115 123.4439 54.0713 18.9388 178.3334 51 Y 4.6376 7.4259 111.2830 55.6684 40.0181 175.7860 52 V 3.8527 8.3043 122.2906 63.9069 31.9864 175.2444 53 S 4.7409 8.7522 119.2252 56.7787 66.3086 173.7387 54 N 5.1808 8.5642 114.4620 52.6807 39.2079 176.1305 55 E 3.9740 8.2219 120.8872 59.7982 29.4898 179.1749 56 S 4.0116 8.6919 115.3073 60.6145 62.8559 176.0219 57 A 2.5800 7.5885 123.2734 53.5435 17.7290 179.0401 58 I 3.5507 6.9581 116.8520 63.6466 38.0295 177.1026 59 R 4.2907 7.5407 116.4030 55.6966 30.5432 176.2426 60 F 5.0476 7.2388 118.0705 55.9442 41.2042 177.3365 61 G 3.9778 8.2090 115.3263 46.1595 0.0000 175.0052 62 S 4.5924 8.4240 113.4958 58.5244 61.9738 174.4321 63 V 4.4586 7.2243 107.1774 61.1421 33.2804 177.7469 64 S 4.4737 8.2239 115.4846 59.7689 63.5450 173.4902 65 C 4.0136 8.1323 118.8656 61.6034 27.9515 173.2169 66 L 3.6480 8.4639 123.5143 55.6758 39.0179 173.2322 67 Y 4.4559 7.8272 119.2024 55.8720 40.2557 174.5265 68 Y 4.8332 7.1884 123.1756 56.3564 42.4513 174.6976 69 D 4.4800 8.8531 123.4277 55.2938 41.7072 177.0181 70 N 4.5270 8.8902 116.2891 54.0954 36.0468 176.0065 71 R 3.9499 7.9263 118.6959 59.2870 30.3573 177.1203 72 Y 4.4196 7.6875 114.8610 57.8411 38.4603 175.0678 73 W 5.1012 8.6941 124.6855 55.5586 32.5998 174.4204 74 T 4.3929 8.0872 116.9547 62.4397 69.7869 174.4268 75 M 4.6528 8.5368 126.6553 55.2735 33.1428 175.2429 76 W 4.7314 9.5530 135.0000 56.3860 31.2561 176.8179 77 K 3.4438 8.5573 128.9040 57.5943 30.5566 178.0968 78 L 4.9286 8.2602 125.0983 52.6798 45.1126 174.0426 79 P 4.3556 0.0000 0.0000 63.3732 32.3031 177.5368 80 M 4.2896 8.5561 123.2259 53.6252 30.4306 175.6329 81 F 4.4842 7.3226 118.7389 58.8477 40.0078 176.4578 82 G 3.9522 9.1295 112.3581 45.5096 0.0000 172.9818 83 C 4.2009 7.8992 120.2696 59.9380 31.5425 173.2874 84 R 4.5966 8.5963 125.7443 55.6236 30.8781 174.9386 85 D 4.6372 7.8485 117.5484 51.1505 43.3232 174.0191 86 P 4.3098 0.0000 0.0000 65.9361 31.2456 178.5686 87 M 4.1484 8.3564 117.6580 58.3184 31.8301 178.6970 88 Q 4.0152 7.9025 118.5852 58.8934 28.8548 179.1051 89 V 3.6133 7.7363 118.7268 66.0065 31.7864 177.8781 90 L 4.0211 7.8600 118.5136 57.9600 41.4324 179.7550 91 R 3.9642 8.2738 118.0904 59.3681 29.9177 179.0239 92 E 4.1229 8.2899 118.3065 59.2315 29.4317 179.4006 93 I 3.5305 7.7739 120.1118 64.2315 37.1199 178.5496 94 V 3.4789 7.6697 118.6347 65.8977 31.3597 177.9116 95 A 3.9286 8.0123 120.4946 55.2173 18.2455 179.2296 96 C 2.0000 7.6193 117.6513 62.0661 30.9531 175.9689 97 T 3.7275 7.5369 111.2815 64.3712 68.0215 176.4615 98 K 3.8386 7.7968 121.8425 59.3002 32.3017 178.4229 99 A 3.9737 7.5654 120.0449 53.5217 19.9109 177.6658 100 F 4.7329 7.8013 115.4426 55.1215 39.0997 174.0132 101 P 4.4575 0.0000 0.0000 64.1264 31.8710 177.7929 102 D 4.6586 8.0430 116.7968 53.9504 41.3926 175.6156 103 A 4.7285 7.4112 120.9720 50.7032 20.8596 177.0875 104 Y 4.2086 8.6773 118.0346 57.8665 39.4785 175.2447 105 V 5.2130 8.9017 123.0677 61.1654 35.1892 174.3067 106 R 4.9749 9.4856 123.8077 54.2638 33.1413 173.7683 107 L 4.7753 8.1964 123.4340 53.9134 43.7494 175.7148 108 V 4.7881 8.7453 118.4429 59.4429 36.3094 174.2238 109 A 4.8943 8.1042 121.9490 50.3528 22.8068 175.1168 110 F 5.2563 8.8887 119.2801 55.6938 42.6909 174.0819 111 D 5.3238 8.8391 122.8238 52.7261 42.3545 176.5639 112 N 4.7420 9.1538 123.0668 54.1902 38.4190 176.3906 113 Q 4.1920 8.6385 118.6847 58.9511 29.0266 177.6850 114 K 4.0171 8.2933 114.8799 57.1787 32.8707 176.6371 115 Q 3.4541 8.0239 118.1755 55.8413 26.9317 172.4920 116 V 4.4894 7.8032 117.4146 60.0518 34.9874 174.0455 117 Q 4.3632 8.6986 123.1414 56.4363 29.3559 175.4886 118 I 4.2941 8.2619 124.4709 60.9782 40.1716 174.5568 119 M 4.7597 7.0601 117.6227 54.2296 34.8719 173.8890 120 G 4.2226 8.3487 103.2292 45.8669 0.0000 172.6167 121 F 5.0853 7.7249 117.8007 55.2964 41.7274 173.0877 122 L 4.4849 8.7694 122.6528 55.4836 42.0694 176.7544 123 V 4.5417 9.0039 117.8915 61.4191 34.2258 175.6615 124 Q 4.6230 7.8304 121.1470 54.3652 32.4587 173.3400 125 R 4.3983 8.1348 121.4561 52.9268 32.7899 173.5247 126 P 4.2179 0.0000 0.0000 62.6960 31.7745 177.6576 127 K 4.0570 8.4563 119.7367 59.4810 32.1336 178.3309 128 T 4.0979 7.8006 106.7832 62.5212 69.3264 174.7608 129 A 4.2505 7.7693 126.4798 52.9963 18.6344 177.3283 130 R 4.6652 8.8313 120.6210 55.9006 31.7354 175.4325 131 D 4.9795 8.5551 116.1661 52.7565 39.7067 175.2684 132 F 5.3175 7.7740 112.9074 55.5877 41.1162 173.5597 133 Q 4.4192 8.3455 119.7608 52.9401 31.4710 174.2243 134 P 4.4750 0.0000 0.0000 62.3566 32.0991 176.9145 135 A 3.9473 8.8919 123.0199 55.6881 18.1430 179.1879 136 N 4.6897 8.0712 108.9498 53.7332 37.5873 175.3579 137 K 4.4888 7.8575 116.9870 56.3358 33.3424 177.3267 138 R 3.5912 7.6655 120.6184 57.6188 30.1664 176.6047 139 S 5.1135 7.5232 110.4450 56.3075 65.9168 174.2786 140 V 3.9869 8.4954 114.5151 61.7484 32.1860 175.6240 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 4.54 0.00 1.98 2.16 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.58 0.00 3 V 8.06 4.14 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 1.11 0.00 0.00 0.97 0.00 0.00 4 W 9.06 4.52 0.00 3.44 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 4.01 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 1.06 0.00 0.00 6 P 0.00 4.53 0.00 2.23 2.19 0.00 3.78 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 1.95 1.96 0.00 7 V 7.40 4.06 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 0.77 0.00 0.00 0.91 0.00 0.00 8 N 8.69 4.20 0.00 2.90 2.88 0.00 0.00 6.82 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 7.58 5.03 0.00 2.64 2.69 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 8.52 4.12 0.00 1.91 1.54 0.00 0.61 0.00 0.00 0.69 0.00 0.00 2.58 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.28 1.37 7.81 11 M 8.37 4.89 0.00 2.11 2.12 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 2.53 2.66 0.00 12 F 8.11 4.65 0.00 3.11 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 13 E 8.27 3.46 0.00 2.13 1.71 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 2.22 2.14 0.00 14 T 8.34 3.85 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 0.15 0.00 0.00 15 F 9.04 4.54 0.00 3.28 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.22 4.48 0.00 4.13 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 0.00 17 Y 8.27 4.38 0.00 3.03 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 7.55 4.66 0.00 1.83 1.61 0.86 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.43 0.00 2.03 2.00 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 20 P 0.00 4.30 0.00 2.05 2.02 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.18 0.00 21 L 8.34 3.96 0.00 1.58 1.48 0.27 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.20 4.24 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 1.18 0.00 0.00 23 D 8.51 4.33 0.00 2.70 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 8.07 3.94 0.00 2.01 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 2.38 0.00 25 Q 7.98 3.93 0.00 2.27 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 26 I 8.06 3.68 2.05 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 1.61 0.76 1.09 0.00 0.00 27 A 8.18 4.01 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 28 A 8.07 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 29 Q 8.12 4.10 0.00 2.47 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.40 1.96 0.00 30 V 8.28 3.73 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 1.13 0.00 0.00 31 D 8.44 4.43 0.00 2.99 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 32 Y 8.09 4.14 0.00 3.22 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 33 I 7.94 3.88 2.17 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.99 1.08 0.00 0.00 34 V 7.93 3.53 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 0.99 0.00 0.00 1.00 0.00 0.00 35 A 8.17 3.92 1.23 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 0.00 0.00 36 N 7.11 4.09 0.00 1.44 1.42 0.00 0.00 7.03 8.47 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 37 G 7.33 3.78 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 0.00 0.00 0.00 38 W 7.54 4.95 0.00 3.36 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.87 4.53 2.13 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.99 0.78 0.00 0.00 40 P 0.00 4.87 0.00 2.13 2.20 0.00 3.91 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 41 C 8.98 5.01 0.00 3.10 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 42 L 8.73 5.31 0.00 1.85 1.62 0.84 0.82 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 43 E 9.27 5.64 0.00 2.03 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 2.31 0.00 44 F 9.20 5.68 0.00 3.06 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 45 A 8.37 4.48 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.59 4.31 0.00 2.18 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 2.29 2.27 0.00 47 A 8.88 4.28 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 8.12 4.57 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 7.97 4.60 0.00 1.48 1.66 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.41 7.81 50 A 7.61 3.85 0.52 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 51 Y 7.43 4.64 0.00 2.90 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 52 V 8.30 3.85 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 0.65 0.00 0.00 0.75 0.00 0.00 53 S 8.75 4.74 0.00 4.09 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 54 N 8.56 5.18 0.00 2.74 2.84 0.00 0.00 6.57 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 8.22 3.97 0.00 2.15 2.23 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 2.39 2.37 0.00 56 S 8.69 4.01 0.00 4.08 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 57 A 7.59 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 6.96 3.55 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 1.48 0.81 0.90 0.00 0.00 59 R 7.54 4.29 0.00 1.91 2.01 0.00 3.20 0.00 0.00 3.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 60 F 7.24 5.05 0.00 3.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.21 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 S 8.42 4.59 0.00 3.86 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 63 V 7.22 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 0.46 0.00 0.00 64 S 8.22 4.47 0.00 4.10 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 8.13 4.01 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 3.65 0.00 1.78 1.77 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 67 Y 7.83 4.46 0.00 2.90 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 68 Y 7.19 4.83 0.00 2.81 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 69 D 8.85 4.48 0.00 2.78 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 70 N 8.89 4.53 0.00 3.06 3.24 0.00 0.00 6.98 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 7.93 3.95 0.00 1.50 1.69 0.00 3.07 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 1.49 1.57 0.00 72 Y 7.69 4.42 0.00 3.06 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 73 W 8.69 5.10 0.00 3.08 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 74 T 8.09 4.39 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 0.92 0.00 0.00 75 M 8.54 4.65 0.00 2.08 2.04 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 2.77 0.00 76 W 9.55 4.73 0.00 3.67 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 77 K 8.56 3.44 0.00 1.71 0.80 0.00 1.72 0.00 0.00 1.54 0.00 0.00 2.68 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.80 0.21 7.81 78 L 8.26 4.93 0.00 1.60 1.57 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.36 0.00 0.66 1.82 0.00 3.63 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 1.95 2.14 0.00 80 M 8.56 4.29 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 81 F 7.32 4.48 0.00 3.10 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 82 G 9.13 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 83 C 7.90 4.20 0.00 3.08 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 84 R 8.60 4.60 0.00 1.81 1.87 0.00 3.22 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.79 0.00 85 D 7.85 4.64 0.00 2.70 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 86 P 0.00 4.31 0.00 2.22 2.12 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 2.13 2.20 0.00 87 M 8.36 4.15 0.00 2.06 2.24 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 2.63 2.74 0.00 88 Q 7.90 4.02 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.58 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 1.10 0.00 0.00 0.97 0.00 0.00 90 L 7.86 4.02 0.00 1.92 1.72 0.94 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 91 R 8.27 3.96 0.00 2.03 2.01 0.00 3.15 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 92 E 8.29 4.12 0.00 2.24 2.17 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 2.62 2.65 0.00 93 I 7.77 3.53 2.00 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 1.34 1.00 0.85 0.00 0.00 94 V 7.67 3.48 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 0.97 0.00 0.00 0.93 0.00 0.00 95 A 8.01 3.93 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.62 2.00 0.00 1.23 2.22 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 97 T 7.54 3.73 4.32 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 1.13 0.00 0.00 98 K 7.80 3.84 0.00 1.81 1.94 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.39 7.81 99 A 7.57 3.97 1.20 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 0.00 0.00 100 F 7.80 4.73 0.00 2.82 2.81 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 0.00 101 P 0.00 4.46 0.00 2.12 2.11 0.00 3.25 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 1.94 1.87 0.00 102 D 8.04 4.66 0.00 2.69 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 0.00 103 A 7.41 4.73 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 104 Y 8.68 4.21 0.00 2.54 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 0.00 105 V 8.90 5.21 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 0.88 0.00 0.00 0.89 0.00 0.00 106 R 9.49 4.97 0.00 1.79 1.85 0.00 2.31 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.33 0.00 107 L 8.20 4.78 0.00 1.49 0.74 0.84 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.75 4.79 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.54 0.00 0.00 109 A 8.10 4.89 1.19 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 0.00 110 F 8.89 5.26 0.00 3.02 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 0.00 111 D 8.84 5.32 0.00 2.31 2.42 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 0.00 112 N 9.15 4.74 0.00 2.93 3.05 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 8.64 4.19 0.00 2.28 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.05 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 114 K 8.29 4.02 0.00 1.75 1.87 0.00 2.11 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.46 7.81 115 Q 8.02 3.45 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.71 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 116 V 7.80 4.49 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 0.48 0.00 0.00 0.91 0.00 0.00 117 Q 8.70 4.36 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.87 0.00 0.00 0.00 0.00 0.00 2.16 1.99 0.00 118 I 8.26 4.29 1.24 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.62 -0.51 0.00 0.00 119 M 7.06 4.76 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.63 0.00 120 G 8.35 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 0.00 0.00 0.00 0.00 121 F 7.72 5.09 0.00 3.22 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 0.00 122 L 8.77 4.48 0.00 1.58 1.61 0.64 0.48 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 0.00 123 V 9.00 4.54 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 0.76 0.00 0.00 0.91 0.00 0.00 124 Q 7.83 4.62 0.00 1.99 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 125 R 8.13 4.40 0.00 1.16 1.51 0.00 2.21 0.00 0.00 2.75 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.26 0.00 126 P 0.00 4.22 0.00 2.12 2.21 0.00 2.20 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.66 0.00 127 K 8.46 4.06 0.00 1.75 1.92 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.39 7.81 128 T 7.80 4.10 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 7.77 4.25 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 8.83 4.67 0.00 1.81 1.88 0.00 3.19 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.75 0.00 131 D 8.56 4.98 0.00 2.88 2.95 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 0.00 132 F 7.77 5.32 0.00 3.22 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 Q 8.35 4.42 0.00 1.86 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.06 0.00 0.00 0.00 0.00 0.00 2.27 2.03 0.00 134 P 0.00 4.48 0.00 2.35 2.19 0.00 3.53 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.88 0.00 135 A 8.89 3.95 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 8.07 4.69 0.00 2.83 2.94 0.00 0.00 5.80 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 7.86 4.49 0.00 1.72 1.69 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.28 1.29 7.81 138 R 7.67 3.59 0.00 1.41 0.66 0.00 3.04 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.54 0.00 139 S 7.52 5.11 0.00 4.00 3.96 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 0.00 140 V 8.50 3.99 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 0.60 0.00 0.00 0.95 0.00 0.00