NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5568 8.3049 118.3291 55.3398 32.9272 174.1217 2 I 4.4463 8.7187 120.2268 57.9779 39.7419 173.7367 3 Q 4.7979 8.7737 121.1851 53.7144 32.5869 171.6376 4 P 4.4167 0.0000 0.0000 65.1539 30.9651 175.9758 5 Q 4.2340 8.6502 122.6732 55.5043 29.1843 172.9859 6 T 4.2783 8.1102 114.6199 64.4328 69.8387 173.2102 7 Y 5.0549 8.7246 124.0032 57.2266 38.9812 174.8074 8 L 4.9322 9.1597 125.8041 52.8999 44.6248 176.0583 9 E 4.4363 8.6656 123.3491 56.0639 31.2890 175.3698 10 V 4.6167 7.8511 117.0508 59.0603 33.3340 176.6215 11 A 4.8334 8.4009 126.9225 49.2840 17.9719 174.6267 12 D 4.5855 7.3765 131.0045 52.4206 44.5646 177.4218 13 N 4.5091 8.7548 112.8018 54.1266 38.1889 175.9418 14 T 3.9685 8.9079 112.1302 64.6973 68.0602 174.8932 15 G 4.2067 9.1346 117.9141 45.9848 0.0000 174.8912 16 A 4.4164 7.5376 120.4213 52.0632 19.1706 176.5678 17 R 4.4919 8.7811 116.9052 56.9398 33.4848 175.3051 18 K 4.9949 7.7024 116.4298 54.6708 36.7744 175.4785 19 I 4.6811 8.8219 116.4167 59.3429 41.7362 173.3260 20 M 5.1904 8.1421 122.5123 53.6176 34.8916 174.5702 21 C 4.6019 9.0457 126.7166 60.1237 32.4227 173.7586 22 I 4.3654 8.7557 125.5644 62.4958 39.7596 175.6654 23 R 4.4252 7.4668 118.3683 55.7314 33.4448 173.6638 24 V 4.4875 8.2911 116.6780 59.5060 33.3998 177.0834 25 L 4.4464 8.7647 127.5730 53.9525 39.0884 176.5232 26 K 4.4290 8.4597 119.7818 56.0624 37.2972 178.8438 27 G 3.8735 7.6541 107.5231 46.2006 0.0000 176.0719 28 S 4.6392 8.2108 121.6245 57.4291 64.5732 173.9074 29 N 4.4850 7.4569 113.4369 52.5885 37.5871 176.3578 30 A 4.1757 7.9369 121.1133 52.1483 17.7729 178.2023 31 K 3.9067 7.9506 120.4450 58.6392 32.3438 176.4729 32 Y 5.1723 7.3806 112.8955 56.0546 42.2697 174.2442 33 A 4.8422 9.8391 123.3062 50.5843 22.6321 175.2045 34 T 4.8781 8.6489 115.3322 59.9459 71.7238 172.4534 35 V 3.4980 7.9874 121.6720 62.5570 32.6948 175.9384 36 G 3.5324 9.1650 114.7023 45.6960 0.0000 172.8410 37 D 4.9333 7.4946 119.0416 52.4380 43.9000 175.4053 38 V 4.9138 8.2337 121.0996 61.8484 33.8017 174.7708 39 I 5.1483 8.3090 119.9462 59.1695 41.6860 173.5435 40 V 4.9647 8.3901 120.0958 61.6099 34.5062 174.7321 41 A 5.6438 9.2452 130.0656 50.4671 22.8200 174.9410 42 S 5.6344 8.8127 107.1600 58.6814 64.1278 172.8827 43 V 3.4337 7.4562 126.2778 60.9801 31.2667 175.6862 44 K 4.3091 8.4770 128.8399 57.7605 32.9099 177.2996 45 E 5.1030 7.7495 115.0904 56.2274 32.3970 174.4982 46 A 5.1853 8.5383 123.6828 50.1628 22.7866 174.4878 47 I 4.0150 8.4863 119.0161 59.9770 39.0230 174.5762 48 P 3.9643 0.0000 0.0000 64.8356 32.1759 177.0415 49 R 4.5600 7.5021 118.6047 54.4961 29.5984 175.6297 50 G 3.8527 7.6775 109.1225 44.2245 0.0000 172.7544 51 A 3.7594 8.5977 125.7080 54.1237 18.6783 178.3896 52 V 4.3859 7.2478 114.3656 59.9733 33.7932 175.1839 53 K 4.5472 8.4980 123.1126 53.8007 34.6198 175.2275 54 E 3.9230 8.3883 119.2010 58.0782 29.9265 178.7142 55 G 3.9912 8.8326 109.6070 45.9387 0.0000 172.9343 56 D 4.7725 7.5184 119.1067 52.9705 42.5842 175.7496 57 V 4.5310 8.2754 123.1168 62.3822 32.7909 175.1872 58 V 4.5567 8.6957 119.5140 60.2475 37.2933 173.5644 59 K 5.4965 8.9067 119.8556 54.5201 34.6788 175.2842 60 A 5.1378 8.3470 129.4234 50.1520 22.8602 174.5237 61 V 4.9262 8.3722 114.0099 60.2276 35.3682 174.9761 62 V 4.1771 8.5703 124.3011 63.1567 31.9241 176.4905 63 V 4.0728 8.4406 120.1523 61.6404 33.1639 175.4728 64 R 4.0589 7.2638 117.6669 54.9755 35.1263 173.4641 65 T 4.4770 8.2020 111.8121 61.8519 70.0729 173.6524 66 K 4.7672 8.8933 125.4942 56.9464 32.6979 177.1751 67 K 4.2499 7.9406 120.5063 54.6891 30.5666 173.8217 68 E 3.8371 7.6439 119.6332 53.6772 30.4812 176.6853 69 I 4.3084 9.0479 126.4481 59.5107 38.9740 174.6228 70 K 4.6193 8.5753 129.3813 55.5949 33.0074 176.4360 71 R 4.4601 8.8947 127.2630 54.2371 31.2963 175.8461 72 P 4.2467 0.0000 0.0000 65.6477 31.1111 177.0888 73 D 4.4137 7.9677 115.9320 54.2215 39.0933 176.3446 74 G 3.9929 8.4667 109.6959 45.1323 0.0000 173.6064 75 S 4.8114 7.4439 112.5575 57.3851 66.0655 172.6943 76 A 4.9909 8.0249 119.5479 51.2293 22.3587 175.5976 77 I 4.3984 8.7496 119.1700 59.1998 41.4084 173.8892 78 R 4.8043 8.3761 128.9548 54.5480 32.5449 174.7548 79 F 4.6356 8.7565 124.8811 56.3135 40.5308 176.6988 80 D 4.4810 9.1086 121.0327 56.5177 42.1450 176.2082 81 D 5.0850 7.6879 119.4686 53.0254 42.7064 178.6334 82 N 4.8926 8.7027 107.3038 52.7627 41.3096 173.6770 83 A 5.3722 8.0266 124.2373 50.0815 23.2460 174.0887 84 A 4.9568 8.2566 119.0291 51.7216 23.5327 175.5785 85 V 4.6502 8.8210 118.2117 61.2037 35.4058 174.5658 86 I 4.0669 8.2986 127.9472 61.8222 38.1110 175.4887 87 I 5.0319 8.6200 127.7602 59.3721 40.5331 174.3425 88 N 5.0508 8.3246 118.2769 50.9004 39.7895 175.4273 89 N 4.3582 8.7388 117.6005 56.2913 38.8305 175.2285 90 Q 4.3938 8.0126 115.8366 55.7053 29.0523 175.2944 91 L 3.4850 8.0816 115.0703 55.2954 40.2942 173.9858 92 E 4.5903 8.9878 119.0746 53.1964 31.6091 174.0426 93 P 5.2669 0.0000 0.0000 62.7529 31.7006 176.7125 94 R 4.0895 8.5206 119.8235 57.5105 30.5933 177.0451 95 G 3.9279 7.6756 106.7072 46.1546 0.0000 173.6343 96 T 4.5471 7.8966 104.9106 62.4501 72.0141 172.8350 97 R 4.6613 7.3313 120.3005 55.7048 34.3473 174.2442 98 V 4.4278 7.9952 112.0605 62.2367 33.0450 171.9932 99 F 4.6781 9.1274 124.3864 57.0453 40.2542 175.2460 100 G 4.0781 8.6549 113.5449 44.1307 0.0000 171.2655 101 P 5.2269 0.0000 0.0000 62.7497 32.1820 175.3714 102 V 4.4237 8.1642 111.0391 60.3884 36.5298 173.4787 103 A 5.1399 8.2434 123.7319 50.9713 19.5522 178.8381 104 R 3.3866 9.5495 121.6212 59.3763 28.7779 178.4200 105 E 4.2438 8.2389 118.5993 58.6647 29.3538 178.6550 106 L 3.9261 8.7139 120.8741 57.2133 41.6393 179.1887 107 R 3.9608 8.4560 119.1888 59.4226 29.9541 178.3122 108 E 3.9696 8.2320 116.3583 58.9795 29.5959 178.0358 109 K 4.1483 7.4688 115.8706 56.8660 32.5182 177.6980 110 G 4.1697 8.4914 107.1415 45.5637 0.0000 175.4048 111 F 4.5436 8.6300 121.3214 55.2341 35.9362 175.8371 112 M 4.1188 8.3812 119.9214 57.4705 32.1129 177.2763 113 K 4.6020 8.8740 129.5557 59.0706 33.0662 178.2602 114 I 3.7649 7.6621 119.9800 64.4069 37.1119 178.1289 115 V 3.6395 7.5118 117.4797 65.9224 31.5683 177.8280 116 S 4.2486 8.5518 114.4268 61.5436 62.5814 176.1917 117 L 3.8462 8.1295 123.6083 56.8515 42.6449 176.9395 118 A 3.9026 7.7236 120.4904 50.3028 19.1763 176.5924 119 P 4.3494 0.0000 0.0000 63.7517 31.8411 176.8050 120 E 5.3934 7.0781 120.4614 56.1296 32.1336 176.6804 121 V 4.5950 8.1450 122.3021 61.9705 33.4455 175.5433 122 L 4.2692 9.3552 123.3970 55.2082 42.7824 176.1487 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 M 8.30 4.56 0.00 1.96 2.27 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.39 0.00 2 I 8.72 4.45 2.05 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 1.38 0.59 0.95 0.00 0.00 3 Q 8.77 4.80 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.87 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 4 P 0.00 4.42 0.00 2.20 2.15 0.00 3.70 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 5 Q 8.65 4.23 0.00 2.12 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.87 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 6 T 8.11 4.28 4.30 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 1.27 0.00 0.00 7 Y 8.72 5.05 0.00 2.71 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 8 L 9.16 4.93 0.00 1.45 1.51 0.97 -0.26 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 9 E 8.67 4.44 0.00 2.11 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 2.29 2.30 0.00 10 V 7.85 4.62 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 0.60 0.00 0.00 0.84 0.00 0.00 11 A 8.40 4.83 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 12 D 7.38 4.59 0.00 2.70 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 0.00 0.00 0.00 13 N 8.75 4.51 0.00 2.85 3.01 0.00 0.00 5.96 7.22 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 14 T 8.91 3.97 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 1.17 0.00 0.00 15 G 9.13 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 0.00 0.00 0.00 16 A 7.54 4.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.78 4.49 0.00 1.84 1.79 0.00 3.01 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 18 K 7.70 4.99 0.00 1.44 1.29 0.00 1.70 0.00 0.00 1.95 0.00 0.00 3.12 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.37 7.81 19 I 8.82 4.68 1.77 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.86 0.80 0.00 0.00 20 M 8.14 5.19 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.56 0.00 21 C 9.05 4.60 0.00 3.08 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 22 I 8.76 4.37 1.88 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 1.33 1.06 0.91 0.00 0.00 23 R 7.47 4.43 0.00 1.87 1.70 0.00 3.17 0.00 0.00 3.33 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 24 V 8.29 4.49 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 0.79 0.00 0.00 0.99 0.00 0.00 25 L 8.76 4.45 0.00 1.76 1.66 0.94 1.12 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 26 K 8.46 4.43 0.00 1.70 1.66 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.36 1.44 7.81 27 G 7.65 3.87 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 0.00 0.00 0.00 28 S 8.21 4.64 0.00 3.93 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 29 N 7.46 4.48 0.00 2.73 2.79 0.00 0.00 6.09 7.26 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 30 A 7.94 4.18 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 31 K 7.95 3.91 0.00 1.35 0.74 0.00 1.42 0.00 0.00 1.45 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.31 7.81 32 Y 7.38 5.17 0.00 2.83 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 9.84 4.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.65 4.88 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 1.25 0.00 0.00 35 V 7.99 3.50 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 0.85 0.00 0.00 0.99 0.00 0.00 36 G 9.16 3.53 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 0.00 37 D 7.49 4.93 0.00 2.70 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.23 4.91 2.15 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 1.26 0.00 0.00 1.16 0.00 0.00 39 I 8.31 5.15 1.97 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 1.13 0.78 0.92 0.00 0.00 40 V 8.39 4.96 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 0.94 0.00 0.00 41 A 9.25 5.64 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 42 S 8.81 5.63 0.00 3.83 3.84 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 43 V 7.46 3.43 2.04 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 1.03 0.00 0.00 0.88 0.00 0.00 44 K 8.48 4.31 0.00 1.33 1.81 0.00 1.85 0.00 0.00 1.90 0.00 0.00 3.11 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.53 7.81 45 E 7.75 5.10 0.00 1.97 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 2.14 2.05 0.00 46 A 8.54 5.19 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.49 4.01 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.77 0.91 0.00 0.00 48 P 0.00 3.96 0.00 2.09 2.00 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 49 R 7.50 4.56 0.00 1.76 1.85 0.00 3.36 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 50 G 7.68 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 0.00 0.00 0.00 51 A 8.60 3.76 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 52 V 7.25 4.39 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 0.77 0.00 0.00 1.01 0.00 0.00 53 K 8.50 4.55 0.00 1.88 1.73 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.40 7.81 54 E 8.39 3.92 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 2.43 2.34 0.00 55 G 8.83 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 56 D 7.52 4.77 0.00 2.73 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.28 4.53 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 0.80 0.00 0.00 0.92 0.00 0.00 58 V 8.70 4.56 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 0.70 0.00 0.00 0.91 0.00 0.00 59 K 8.91 5.50 0.00 1.67 1.72 0.00 2.03 0.00 0.00 1.79 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.24 7.81 60 A 8.35 5.14 1.25 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 0.00 0.00 0.00 61 V 8.37 4.93 2.52 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 1.17 0.00 0.00 0.71 0.00 0.00 62 V 8.57 4.18 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 0.98 0.00 0.00 0.97 0.00 0.00 63 V 8.44 4.07 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 0.87 0.00 0.00 0.81 0.00 0.00 64 R 7.26 4.06 0.00 1.44 1.13 0.00 2.93 0.00 0.00 2.53 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.08 0.00 65 T 8.20 4.48 4.28 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 1.33 0.00 0.00 66 K 8.89 4.77 0.00 1.93 1.84 0.00 1.75 0.00 0.00 2.49 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.46 7.81 67 K 7.94 4.25 0.00 1.75 1.75 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.35 1.38 7.81 68 E 7.64 3.84 0.00 1.98 1.90 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 2.25 2.32 0.00 69 I 9.05 4.31 1.90 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 1.14 0.63 0.98 0.00 0.00 70 K 8.58 4.62 0.00 1.74 1.69 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.62 7.81 71 R 8.89 4.46 0.00 2.03 1.81 0.00 3.19 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 72 P 0.00 4.25 0.00 2.17 2.20 0.00 3.77 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 1.99 1.97 0.00 73 D 7.97 4.41 0.00 2.78 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 74 G 8.47 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 75 S 7.44 4.81 0.00 3.93 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 8.02 4.99 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 77 I 8.75 4.40 1.73 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.36 0.75 0.00 0.00 78 R 8.38 4.80 0.00 1.85 1.68 0.00 3.28 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 79 F 8.76 4.64 0.00 3.31 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 80 D 9.11 4.48 0.00 2.68 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 81 D 7.69 5.09 0.00 2.71 2.52 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 82 N 8.70 4.89 0.00 2.86 2.71 0.00 0.00 7.32 8.49 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 83 A 8.03 5.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 A 8.26 4.96 1.22 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 85 V 8.82 4.65 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 1.13 0.00 0.00 0.92 0.00 0.00 86 I 8.30 4.07 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.36 0.89 0.00 0.00 87 I 8.62 5.03 2.05 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.95 0.79 0.00 0.00 88 N 8.32 5.05 0.00 2.80 2.88 0.00 0.00 7.39 6.81 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 89 N 8.74 4.36 0.00 2.69 2.96 0.00 0.00 6.94 7.69 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 90 Q 8.01 4.39 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.71 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 91 L 8.08 3.49 0.00 1.47 1.24 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.99 4.59 0.00 2.02 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 2.13 2.45 0.00 93 P 0.00 5.27 0.00 2.17 2.06 0.00 3.30 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 94 R 8.52 4.09 0.00 1.80 2.00 0.00 3.19 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 95 G 7.68 3.93 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 0.00 0.00 0.00 96 T 7.90 4.55 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 1.22 0.00 0.00 97 R 7.33 4.66 0.00 1.93 2.20 0.00 3.45 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 98 V 8.00 4.43 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.10 0.00 0.00 99 F 9.13 4.68 0.00 2.89 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 0.00 100 G 8.65 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 0.00 0.00 0.00 0.00 101 P 0.00 5.23 0.00 2.19 2.21 0.00 3.83 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.06 0.00 102 V 8.16 4.42 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 0.74 0.00 0.00 0.97 0.00 0.00 103 A 8.24 5.14 1.47 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 0.00 0.00 104 R 9.55 3.39 0.00 2.02 2.32 0.00 2.80 0.00 0.00 3.18 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 105 E 8.24 4.24 0.00 2.08 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 2.41 2.47 0.00 106 L 8.71 3.93 0.00 1.67 1.72 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 107 R 8.46 3.96 0.00 1.86 1.94 0.00 3.13 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 108 E 8.23 3.97 0.00 2.00 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 2.33 2.55 0.00 109 K 7.47 4.15 0.00 1.85 1.66 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.38 7.81 110 G 8.49 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 F 8.63 4.54 0.00 3.15 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 0.00 112 M 8.38 4.12 0.00 2.04 1.90 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.78 0.00 113 K 8.87 4.60 0.00 1.78 1.91 0.00 1.93 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.43 7.81 114 I 7.66 3.76 2.11 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 1.56 0.63 0.98 0.00 0.00 115 V 7.51 3.64 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 0.88 0.00 0.00 1.04 0.00 0.00 116 S 8.55 4.25 0.00 4.06 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 0.00 117 L 8.13 3.85 0.00 1.93 1.78 1.00 0.96 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 0.00 118 A 7.72 3.90 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 119 P 0.00 4.35 0.00 2.08 2.14 0.00 3.98 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.19 0.00 120 E 7.08 5.39 0.00 2.34 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 2.09 2.05 0.00 121 V 8.14 4.60 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 0.92 0.00 0.00 0.97 0.00 0.00 122 L 9.36 4.27 0.00 1.74 1.46 0.97 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00