NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.3109 8.2544 120.8610 55.9155 31.9431 175.0777 3 H 4.6818 7.5310 115.0325 53.5306 32.4516 168.5318 4 L 3.7420 7.3084 131.9093 54.3478 49.0570 173.4372 5 K 3.8804 7.8998 121.8053 57.2141 33.1816 176.2236 6 S 4.6809 8.2230 116.6164 57.2442 65.4186 174.0297 7 G 3.9413 8.4090 111.5198 44.6642 0.0000 173.3690 8 R 3.6499 8.4889 125.7226 55.6997 30.3638 174.9668 9 K 4.3736 8.0131 114.9669 56.2426 35.2264 174.4997 10 L 4.5281 8.3122 121.3712 53.8102 45.5415 174.5392 11 N 4.7239 8.4861 119.8182 52.6522 41.8751 174.6595 12 R 4.0357 10.4687 124.6289 55.7239 27.5613 177.5147 13 H 4.5609 8.3274 119.0923 54.6190 34.6323 172.9466 14 S 3.8292 7.7626 119.0356 61.4389 62.9350 176.5573 15 S 3.9548 6.8494 118.1598 61.5568 62.6061 175.2269 16 H 4.1361 8.0477 119.4077 58.2935 28.2746 177.4545 17 R 3.5210 8.3628 117.5011 59.4945 29.1637 178.2087 18 L 3.4007 7.6517 120.4101 56.9186 41.6434 179.2463 19 A 3.9687 7.9069 120.5536 56.0800 18.1644 178.6369 20 L 3.9227 8.2635 118.5759 57.7997 41.8624 178.7904 21 Y 4.2118 8.7914 116.2458 61.9198 38.0053 178.4546 22 R 4.2332 8.7835 120.2235 58.2132 29.9021 177.7326 23 N 4.1758 8.8427 116.3541 57.3038 39.2905 176.9502 24 Q 4.0050 8.7794 119.2039 58.9743 28.7596 178.8807 25 A 4.0334 8.4557 121.6976 55.3205 18.5597 179.5308 26 K 3.8655 8.4356 117.1499 59.7395 32.1965 179.3600 27 S 4.0480 8.3667 115.3809 61.8065 62.8017 176.6851 28 L 3.8883 8.2314 122.6261 58.3608 41.6381 178.8163 29 L 3.8417 7.8133 118.0057 58.4657 41.6787 179.2225 30 T 3.9368 7.6757 113.8625 67.1479 68.8769 175.2989 31 H 4.7620 8.1277 115.3862 55.1300 29.2126 177.5750 32 G 4.0646 9.3943 109.9957 45.8117 0.0000 173.3622 33 R 4.9294 7.5376 116.4322 55.8457 33.6776 173.5639 34 I 4.9459 8.8964 125.7904 60.2791 42.6046 173.5960 35 T 5.5797 8.5479 112.4034 59.8183 71.2089 173.9734 36 T 4.4915 8.1311 113.7570 61.8239 72.6066 172.0284 37 T 4.7460 8.8020 110.1329 60.8935 70.5885 176.8664 38 V 2.8289 7.8209 119.1307 63.2072 33.7669 175.6978 39 P 4.2002 0.0000 0.0000 65.9966 31.4158 179.1956 40 K 4.2633 7.6556 115.9047 60.0517 32.2876 177.7344 41 A 4.0525 8.2582 121.7064 53.8909 18.0876 180.1470 42 K 4.1954 8.5057 114.7225 58.8765 32.4363 178.6277 43 E 3.7108 8.3668 119.5875 59.3114 29.6215 178.3807 44 L 3.7299 7.9084 120.4848 58.8524 41.8401 178.1004 45 R 4.0683 8.5017 119.3668 58.1570 29.8953 178.2473 46 G 3.9777 8.4438 104.9164 48.5860 0.0000 174.4763 47 F 4.3820 8.4623 123.2399 61.0279 39.2831 177.1946 48 V 3.4262 8.6710 118.2401 66.5127 30.9525 177.0861 49 D 4.4277 8.4751 118.4997 58.2278 40.5218 178.1585 50 H 4.2790 8.7781 117.8499 59.6008 30.1225 177.3043 51 L 3.4761 7.6955 120.6160 58.3043 41.3968 179.3637 52 I 3.6371 8.1650 118.0962 64.4291 37.8665 177.1841 53 H 4.2491 8.5072 119.1564 59.6367 29.5494 176.8329 54 L 4.0731 8.3963 121.6509 57.9428 41.7115 178.4120 55 A 4.5530 8.0179 120.1517 55.7025 18.0295 179.6012 56 K 3.7479 8.7678 116.6375 60.2950 31.9915 181.0428 57 R 3.6309 8.2958 118.3022 57.8527 31.4435 172.9298 58 G 3.6217 8.8087 113.1887 44.6807 0.0000 171.2628 59 D 4.5816 10.0880 117.7000 51.4950 39.1009 175.0384 60 L 3.8695 8.6456 117.6777 61.0340 39.7358 178.2457 61 H 4.0485 8.6577 118.6838 57.7502 29.9578 177.1284 62 A 3.9810 8.4927 121.4762 55.4610 18.5454 179.3887 63 R 3.0867 7.9664 116.1200 59.3371 30.1261 178.9678 64 R 3.7809 7.8759 115.3620 59.9405 29.1579 177.9793 65 L 3.9049 8.0263 121.9542 57.1466 42.1396 178.9443 66 V 3.5394 7.9575 118.2572 65.7313 31.3299 178.1080 67 L 3.8044 8.0026 120.1590 58.5117 41.7717 179.0025 68 R 3.7895 7.7253 117.4660 59.2641 30.0037 177.2664 69 D 4.5989 7.6170 117.5841 56.8986 41.4842 178.6787 70 L 4.2120 8.1137 118.4646 55.1762 42.4934 177.0917 71 Q 3.0964 8.1411 112.7219 55.6368 26.1459 170.9412 72 D 5.1805 7.7810 128.2836 53.7197 43.3563 176.8351 73 V 3.5528 7.6225 121.6941 63.6547 31.6809 178.9893 74 K 3.9147 6.8769 114.6145 59.3504 33.0768 178.1249 75 L 3.8841 9.4933 121.1543 59.3665 42.2385 180.3718 76 V 3.0756 8.1897 114.5432 65.7218 32.0954 178.4331 77 R 3.9163 8.8417 117.5498 59.3094 30.3405 178.8708 78 K 3.8628 8.1452 119.5246 60.1933 31.9589 177.6933 79 L 3.8968 8.5023 120.6516 57.5371 41.7680 178.5990 80 F 4.0488 8.2690 121.6984 61.1571 39.7025 176.7392 81 D 4.6606 8.1725 116.2701 54.7242 40.3937 178.1228 82 E 4.1202 8.2632 119.5742 58.4003 29.4629 177.4008 83 I 4.1453 7.6292 117.6259 62.7691 39.8241 177.7692 84 A 3.7340 7.7077 121.6432 55.4125 18.2818 176.9014 85 P 3.9175 0.0000 0.0000 66.2049 31.0824 178.4370 86 R 4.1602 7.8176 120.4697 59.7879 30.7244 177.9964 87 Y 4.0095 8.3411 116.4564 58.8356 38.7265 173.9268 88 R 3.9314 7.9918 121.4320 55.7648 28.7566 174.9969 89 D 5.1769 7.8773 132.6007 54.1422 38.9044 178.0488 90 R 4.2664 7.6482 118.6382 55.8535 31.0305 175.2868 91 Q 4.4940 8.4956 119.5673 55.3846 29.3214 175.3056 92 G 3.0019 7.1877 105.4913 45.3529 0.0000 173.1781 93 G 3.9137 8.2360 104.2543 46.5615 0.0000 174.3408 94 Y 4.5977 7.5114 113.7734 59.2317 38.5987 175.9334 95 T 5.2123 7.7902 116.2092 61.8114 71.6115 174.0307 96 R 4.4977 9.0141 124.0188 54.7808 33.3213 173.9001 97 V 4.5338 8.5592 126.8079 61.2979 33.1932 174.7148 98 L 4.7980 8.8841 128.3296 52.6874 45.0465 176.0814 99 K 4.4231 8.7306 124.1585 56.1119 32.7352 177.7130 100 L 4.2434 8.4838 126.0127 53.7738 42.4601 175.7580 101 A 3.9739 7.7869 123.0212 54.0935 18.8715 180.3803 102 E 4.6333 7.8254 116.7513 54.2738 33.1845 174.9536 103 R 5.7635 7.9466 114.6012 53.1340 32.4033 175.6365 104 R 4.1084 8.5772 121.0667 56.4000 31.3986 175.8569 105 R 4.2679 8.6091 122.6849 57.0539 30.9938 177.8043 106 G 4.1548 8.7707 116.8994 46.9110 0.0000 174.7586 107 D 4.4274 9.6524 118.1787 53.4299 40.0313 176.8377 108 G 3.7119 8.1334 106.5480 46.1733 0.0000 173.1304 109 A 4.2839 8.4455 122.8660 50.3420 19.7401 176.0681 110 P 4.4952 0.0000 0.0000 63.3030 32.4464 176.1329 111 L 5.1653 8.6655 125.0273 53.3748 44.5978 175.0942 112 A 5.2773 8.9382 121.1293 50.5585 23.4851 174.5723 113 L 5.1456 9.2088 120.4964 53.5964 45.3139 175.5262 114 V 5.0384 8.9070 124.8565 61.7604 35.6912 173.4390 115 E 5.0482 9.1445 123.7779 54.8484 33.8257 173.3198 116 L 4.9582 8.9399 121.0880 54.8359 41.5593 177.2384 117 V 3.8106 8.8255 124.6690 61.7460 31.9562 176.2098 118 E 4.2275 8.6788 124.0833 56.3551 30.1068 175.6630 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 R 8.25 4.31 0.00 1.80 2.04 0.00 3.15 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 3 H 7.53 4.68 0.00 3.18 3.10 0.00 5.82 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 7.31 3.74 0.00 1.48 1.32 0.89 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 5 K 7.90 3.88 0.00 1.72 1.73 0.00 1.89 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.41 7.81 6 S 8.22 4.68 0.00 4.02 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 7 G 8.41 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.49 3.65 0.00 1.94 1.93 0.00 3.50 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 9 K 8.01 4.37 0.00 1.76 1.67 0.00 1.84 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.19 1.29 7.81 10 L 8.31 4.53 0.00 1.61 1.59 1.09 1.11 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 11 N 8.49 4.72 0.00 2.68 2.75 0.00 0.00 7.26 7.65 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 12 R 10.47 4.04 0.00 1.97 2.08 0.00 3.26 0.00 0.00 3.14 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 13 H 8.33 4.56 0.00 3.09 2.92 0.00 5.87 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.76 3.83 0.00 3.93 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 15 S 6.85 3.95 0.00 4.07 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 16 H 8.05 4.14 0.00 3.29 3.28 0.00 5.66 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.36 3.52 0.00 1.57 2.19 0.00 2.56 0.00 0.00 2.93 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.59 0.00 18 L 7.65 3.40 0.00 1.76 1.67 0.91 0.91 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 19 A 7.91 3.97 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 20 L 8.26 3.92 0.00 1.69 1.84 1.21 1.32 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 21 Y 8.79 4.21 0.00 2.67 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 22 R 8.78 4.23 0.00 2.13 2.02 0.00 3.19 0.00 0.00 3.57 8.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 23 N 8.84 4.18 0.00 2.82 3.06 0.00 0.00 7.40 8.24 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 24 Q 8.78 4.01 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.34 0.00 0.00 0.00 0.00 0.00 2.43 2.58 0.00 25 A 8.46 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.44 3.87 0.00 2.07 1.87 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.70 7.81 27 S 8.37 4.05 0.00 3.85 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.23 3.89 0.00 1.68 1.97 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.81 3.84 0.00 1.80 1.70 0.86 1.16 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 30 T 7.68 3.94 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 1.24 0.00 0.00 31 H 8.13 4.76 0.00 3.40 3.30 0.00 5.71 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 9.39 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 0.00 0.00 0.00 33 R 7.54 4.93 0.00 1.85 1.78 0.00 3.26 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 34 I 8.90 4.95 1.90 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.79 0.95 0.00 0.00 35 T 8.55 5.58 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 1.26 0.00 0.00 36 T 8.13 4.49 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 1.23 0.00 0.00 37 T 8.80 4.75 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 1.22 0.00 0.00 38 V 7.82 2.83 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 0.94 0.00 0.00 0.97 0.00 0.00 39 P 0.00 4.20 0.00 2.20 2.06 0.00 3.74 0.00 0.00 3.77 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 40 K 7.66 4.26 0.00 1.99 1.85 0.00 1.77 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.58 7.81 41 A 8.26 4.05 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.51 4.20 0.00 1.90 1.84 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.64 1.65 7.81 43 E 8.37 3.71 0.00 1.96 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 2.13 1.86 0.00 44 L 7.91 3.73 0.00 1.82 1.67 0.99 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.50 4.07 0.00 1.92 2.21 0.00 3.19 0.00 0.00 3.18 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 46 G 8.44 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 47 F 8.46 4.38 0.00 2.83 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 48 V 8.67 3.43 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 1.07 0.00 0.00 1.05 0.00 0.00 49 D 8.48 4.43 0.00 3.11 2.61 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 0.00 0.00 0.00 0.00 50 H 8.78 4.28 0.00 3.28 3.31 0.00 5.82 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 51 L 7.70 3.48 0.00 1.74 1.54 -0.07 0.71 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 52 I 8.17 3.64 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.66 1.31 0.00 0.00 53 H 8.51 4.25 0.00 3.39 3.60 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.40 4.07 0.00 2.01 1.78 1.02 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.02 4.55 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 56 K 8.77 3.75 0.00 1.75 1.75 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.73 7.81 57 R 8.30 3.63 0.00 2.04 2.19 0.00 3.48 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.80 0.00 58 G 8.81 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 D 10.09 4.58 0.00 2.98 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 60 L 8.65 3.87 0.00 1.93 1.97 0.94 0.58 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 61 H 8.66 4.05 0.00 3.25 3.31 0.00 5.73 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.49 3.98 1.75 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 0.00 0.00 63 R 7.97 3.09 0.00 1.82 1.68 0.00 3.18 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.61 0.00 64 R 7.88 3.78 0.00 1.94 2.45 0.00 2.43 0.00 0.00 2.83 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 65 L 8.03 3.90 0.00 1.70 1.76 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.96 3.54 2.01 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 0.92 0.00 0.00 0.88 0.00 0.00 67 L 8.00 3.80 0.00 1.62 1.78 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.73 3.79 0.00 1.83 2.09 0.00 3.28 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 69 D 7.62 4.60 0.00 2.82 2.74 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 0.00 0.00 0.00 70 L 8.11 4.21 0.00 1.57 1.72 0.89 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 8.14 3.10 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.00 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 72 D 7.78 5.18 0.00 2.83 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 73 V 7.62 3.55 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 0.71 0.00 0.00 0.92 0.00 0.00 74 K 6.88 3.91 0.00 2.15 1.69 0.00 1.57 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.55 7.81 75 L 9.49 3.88 0.00 1.72 1.64 0.93 1.13 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 76 V 8.19 3.08 2.33 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 0.90 0.00 0.00 0.85 0.00 0.00 77 R 8.84 3.92 0.00 1.89 1.99 0.00 3.20 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 78 K 8.15 3.86 0.00 1.87 1.97 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.43 1.48 7.81 79 L 8.50 3.90 0.00 1.71 1.84 0.88 1.39 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 80 F 8.27 4.05 0.00 3.15 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 81 D 8.17 4.66 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 82 E 8.26 4.12 0.00 2.46 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 2.33 2.47 0.00 83 I 7.63 4.15 1.54 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.10 0.43 0.00 0.00 84 A 7.71 3.73 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 3.92 0.00 2.12 1.98 0.00 3.59 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.11 0.00 86 R 7.82 4.16 0.00 2.06 2.13 0.00 3.18 0.00 0.00 3.31 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.87 0.00 87 Y 8.34 4.01 0.00 2.73 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 R 7.99 3.93 0.00 1.61 1.90 0.00 3.40 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 1.60 1.60 0.00 89 D 7.88 5.18 0.00 2.83 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 90 R 7.65 4.27 0.00 1.99 2.51 0.00 3.32 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 91 Q 8.50 4.49 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.25 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 92 G 7.19 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.24 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 7.51 4.60 0.00 3.20 3.39 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 95 T 7.79 5.21 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 1.31 0.00 0.00 96 R 9.01 4.50 0.00 1.84 1.76 0.00 3.07 0.00 0.00 3.10 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 97 V 8.56 4.53 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 0.87 0.00 0.00 0.94 0.00 0.00 98 L 8.88 4.80 0.00 1.66 1.52 1.02 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.73 4.42 0.00 1.62 1.76 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.53 7.81 100 L 8.48 4.24 0.00 1.86 1.65 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 101 A 7.79 3.97 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 0.00 102 E 7.83 4.63 0.00 2.11 1.87 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 2.34 2.36 0.00 103 R 7.95 5.76 0.00 1.91 1.81 0.00 3.13 0.00 0.00 3.15 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.37 0.00 104 R 8.58 4.11 0.00 1.92 2.24 0.00 3.18 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 105 R 8.61 4.27 0.00 1.93 1.78 0.00 3.41 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 106 G 8.77 4.15 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 0.00 0.00 0.00 107 D 9.65 4.43 0.00 2.81 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 0.00 108 G 8.13 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 A 8.45 4.28 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.50 0.00 2.13 2.24 0.00 3.69 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 111 L 8.67 5.17 0.00 1.64 1.90 0.93 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 112 A 8.94 5.28 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 0.00 113 L 9.21 5.15 0.00 1.62 1.48 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.91 5.04 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 1.03 0.00 0.00 0.97 0.00 0.00 115 E 9.14 5.05 0.00 2.34 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 2.24 2.44 0.00 116 L 8.94 4.96 0.00 1.99 1.85 0.91 1.13 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 0.00 117 V 8.83 3.81 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 0.76 0.00 0.00 0.91 0.00 0.00 118 E 8.68 4.23 0.00 1.95 1.86 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 2.43 2.27 0.00