NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.4711 0.0000 0.0000 62.4590 32.7341 175.0685 4 K 4.4205 8.3559 121.1544 55.8017 38.0105 175.9945 5 A 4.0535 8.3977 120.7763 54.7263 19.0343 178.7493 6 L 3.9419 7.8455 118.2970 58.6242 42.4355 178.6211 7 T 3.8748 8.0100 115.1714 67.1240 68.3570 176.0267 8 Q 3.9268 8.1824 121.1238 58.7987 28.8008 178.3964 9 V 3.4981 7.4282 118.5697 65.9543 31.9560 177.5753 10 L 4.1163 8.5067 119.3116 57.7913 41.4768 179.6812 11 S 4.3195 8.1619 115.6089 61.1914 62.6839 176.5736 12 Q 3.9784 7.8900 120.2059 58.2805 28.4387 178.5173 13 A 4.1334 7.7678 120.6864 53.6756 19.8091 177.9261 14 N 4.6296 7.7450 117.3080 52.1857 37.3853 173.9491 15 T 4.5474 6.9209 110.3772 60.5063 72.5711 175.1882 16 G 3.6710 9.2710 108.1381 46.7843 0.0000 174.7650 17 G 3.9242 8.1213 108.2511 44.8590 0.0000 174.5060 18 V 3.7781 7.2555 120.0282 62.9139 32.3597 175.0714 19 Q 4.1488 8.6089 126.1462 56.9527 30.8107 175.7739 20 S 4.8671 7.2761 111.2741 57.0974 67.0745 173.2738 21 T 5.0688 8.7550 117.7104 61.9987 72.4228 172.8508 22 L 5.4188 9.3958 126.1224 52.9325 45.6472 175.3247 23 L 5.2576 9.0918 123.6454 53.0376 44.0909 175.5918 24 L 5.2873 8.7540 122.9020 54.0367 44.6565 175.8378 25 N 4.8753 8.4337 117.7599 51.6348 38.7624 175.8621 26 N 4.3475 8.4841 114.9024 55.8198 38.5810 176.2352 27 E 4.1767 8.2583 115.8509 56.6155 29.9893 176.8154 28 G 3.8888 8.6434 107.0371 47.0460 0.0000 173.3046 29 S 4.6186 8.3906 114.3656 55.9741 64.5653 173.1606 30 L 4.3500 8.3611 125.9417 55.1886 42.5902 175.8643 31 L 4.5968 8.8217 126.0018 56.4376 43.1912 176.7394 32 A 4.7387 7.6853 117.3672 51.3647 22.5122 174.5814 33 Y 5.4573 8.4203 120.1707 56.5218 42.1468 174.0544 34 S 4.2287 8.8162 119.2022 57.6642 67.1412 173.6739 35 G 4.3220 9.6733 105.5765 45.6619 0.0000 172.0826 36 Y 5.1218 7.2088 114.6951 55.5489 41.2049 175.3922 37 G 4.2376 8.3084 106.5638 47.1040 0.0000 173.0954 38 D 4.6406 8.4095 116.8088 53.2945 40.6109 176.9789 39 T 4.1030 7.9848 114.5199 61.3788 70.0169 173.7845 40 D 5.1071 7.9262 128.1711 53.5026 44.2638 177.2793 41 A 3.5796 8.0733 129.6075 55.5665 18.0763 179.5259 42 R 3.7725 7.8479 115.6407 59.2313 30.0926 179.4040 43 V 3.5412 7.5759 117.5102 66.2415 31.6279 177.8680 44 T 3.8136 8.1334 115.6346 66.7429 68.3511 176.3107 45 A 3.9792 8.2656 122.4908 54.9677 18.3840 179.4210 46 A 3.9347 8.0810 119.1914 55.5205 18.4378 179.9105 47 I 3.6594 8.0141 118.1684 64.4605 37.1191 178.5184 48 A 4.0640 8.4485 122.2518 55.2153 17.7269 179.7504 49 S 4.1457 8.2155 112.7438 61.7798 62.9577 176.5954 50 N 4.4005 8.2384 120.0368 56.0617 38.4173 177.5388 51 I 3.7919 8.1209 121.4212 64.0534 37.1551 178.1978 52 W 4.1314 8.5775 129.1286 60.4855 30.5545 177.7436 53 A 4.0216 8.4308 120.4344 55.1338 17.6172 179.2629 54 A 3.8058 7.8066 117.9161 55.7233 18.5496 179.1745 55 Y 4.1720 7.5164 112.4198 60.1930 38.1223 177.2689 56 D 4.3066 7.9293 119.0704 55.5562 41.4481 176.5999 57 R 4.2032 7.3698 119.1349 55.5117 30.5494 175.3252 58 N 5.1880 8.3604 120.1379 52.4997 43.2752 173.0870 59 G 4.1627 7.9203 111.7045 44.7297 0.0000 172.6807 60 N 4.1973 9.2700 116.4980 53.9094 36.3065 174.3166 61 Q 4.2884 8.3425 118.8541 57.0910 29.7943 174.6423 62 A 4.5569 7.3816 115.9719 53.0082 21.6610 176.4513 63 F 4.1275 8.1807 117.4142 59.6728 40.1764 175.5508 64 N 4.6735 8.1035 119.4994 51.6749 37.9534 173.6012 65 E 4.0578 8.4074 127.0312 56.4141 30.6708 177.2485 66 D 4.7541 8.1550 124.7546 53.2660 41.8745 174.2570 67 S 4.4919 7.6340 116.1292 56.6644 64.9578 174.6802 68 L 3.9846 8.2189 123.6447 55.2398 42.2266 176.6028 69 K 4.7548 8.6278 124.3810 57.4680 34.3676 176.2474 70 F 4.9874 7.8988 118.2753 57.0406 42.5529 173.5506 71 I 4.7696 8.8266 126.0937 59.5141 40.4949 174.4375 72 L 5.5814 8.6958 125.0496 53.2775 45.2777 175.6896 73 M 4.8552 9.3469 121.7040 53.6068 35.7275 173.8619 74 D 5.2702 8.9546 123.0387 53.0169 42.9195 175.1785 75 C 5.0394 9.1266 123.4223 57.6973 31.6516 174.7938 76 M 4.0324 8.8357 121.1700 58.4266 31.5109 177.7711 77 E 4.6369 8.3728 114.2653 54.6921 30.5451 175.3476 78 G 4.2264 6.8599 106.7471 46.7293 0.0000 172.1286 79 R 5.4256 8.6957 117.8878 54.3823 34.5568 175.2267 80 V 5.0909 8.8212 120.9779 61.2044 35.1668 173.9484 81 A 5.4946 9.1604 128.8613 50.3217 22.2864 175.1400 82 I 5.0734 8.2326 120.5883 58.8058 41.4921 174.6376 83 T 4.2914 8.2240 119.3361 60.9669 71.0591 171.9599 84 R 4.4820 8.0039 122.6792 55.0056 31.7479 177.1802 85 V 4.3114 8.5220 121.4069 60.6031 34.9636 177.0724 86 A 3.5595 9.7362 130.5357 53.4505 18.3548 176.6996 87 N 4.7852 9.2198 114.3547 54.4681 39.3486 172.4784 88 L 4.8446 8.1333 117.2056 52.5694 45.9121 174.8215 89 L 4.8227 8.9139 119.0834 52.9119 45.0720 175.7060 90 L 5.0043 8.6502 124.6981 53.3485 44.8858 174.5028 91 C 5.3631 9.1822 126.2044 57.8394 34.8005 172.2968 92 M 5.2956 9.1326 125.0628 53.6826 35.3999 173.7448 93 Y 5.3425 9.1428 124.3579 55.8757 41.9038 174.1797 94 A 4.6968 9.1895 126.5577 49.5760 23.4375 175.6413 95 K 4.4134 8.7261 119.3206 56.4291 32.9734 178.5029 96 E 4.0743 8.9895 122.1851 58.7194 29.4915 178.0167 97 T 4.1128 7.6214 107.5849 61.9328 69.5653 174.6687 98 V 3.8350 7.5712 123.7590 61.7563 32.3534 176.5381 99 G 3.6881 8.4238 113.6977 44.7259 0.0000 174.2080 100 F 4.4564 8.4296 121.0519 60.2965 39.0068 178.3538 101 G 3.6137 8.1297 104.9065 48.1063 0.0000 175.3340 102 M 4.0632 7.9454 120.5741 58.0050 32.2624 177.8819 103 L 3.9672 8.0887 120.6382 57.9207 42.2982 178.7743 104 K 3.7653 8.2075 119.3677 59.5747 32.0169 178.6487 105 A 3.9843 8.0212 120.9170 54.9002 18.2757 179.7913 106 K 3.8871 8.6163 117.3502 59.5791 32.0778 179.3914 107 A 4.0849 8.3688 121.2449 55.3872 18.2640 179.7717 108 Q 4.0306 8.4827 116.4076 58.8901 28.9075 178.5053 109 A 4.0140 8.2670 122.1324 55.2966 18.3106 179.5262 110 L 3.9488 7.9172 118.4984 58.1383 42.0999 178.9829 111 V 3.5862 8.0722 118.4545 66.3596 31.2016 177.6382 112 Q 4.0015 8.0827 116.4484 59.5395 28.7161 178.9404 113 Y 4.1880 7.6292 118.1597 60.7130 39.0054 177.4734 114 L 4.2421 8.2457 118.3268 55.4400 41.8677 176.7387 115 E 4.4058 7.9890 119.5594 55.1794 30.0144 175.7480 116 E 4.3781 8.4960 123.2794 55.9819 30.9324 174.8794 117 P 4.0609 0.0000 0.0000 64.2236 31.4485 176.1299 118 L 3.9495 8.6243 121.4357 55.2424 41.8072 174.2265 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 3 P 0.00 4.47 0.00 2.07 2.09 0.00 3.66 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.08 0.00 4 K 8.36 4.42 0.00 1.82 1.72 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.51 7.81 5 A 8.40 4.05 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 6 L 7.85 3.94 0.00 1.72 1.68 0.94 0.88 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 7 T 8.01 3.87 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 8 Q 8.18 3.93 0.00 2.44 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 9 V 7.43 3.50 2.28 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 0.91 0.00 0.00 1.08 0.00 0.00 10 L 8.51 4.12 0.00 1.81 1.67 0.94 0.90 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 11 S 8.16 4.32 0.00 3.99 4.29 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 12 Q 7.89 3.98 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.05 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 13 A 7.77 4.13 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 14 N 7.74 4.63 0.00 2.65 2.78 0.00 0.00 6.74 6.82 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 15 T 6.92 4.55 4.20 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 1.16 0.00 0.00 16 G 9.27 3.67 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 0.00 17 G 8.12 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 0.00 0.00 0.00 18 V 7.26 3.78 2.18 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 0.72 0.00 0.00 0.86 0.00 0.00 19 Q 8.61 4.15 0.00 0.93 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.48 0.00 0.00 0.00 0.00 0.00 1.92 1.69 0.00 20 S 7.28 4.87 0.00 3.82 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 21 T 8.76 5.07 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 1.20 0.00 0.00 22 L 9.40 5.42 0.00 1.62 1.61 1.19 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 23 L 9.09 5.26 0.00 1.55 1.55 0.93 0.27 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 24 L 8.75 5.29 0.00 1.62 1.68 0.94 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.43 4.88 0.00 2.95 2.99 0.00 0.00 7.30 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 26 N 8.48 4.35 0.00 2.75 2.97 0.00 0.00 6.88 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 27 E 8.26 4.18 0.00 2.08 2.00 0.00 0.00 0.00 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 2.37 0.00 28 G 8.64 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 0.00 0.00 0.00 29 S 8.39 4.62 0.00 3.99 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 30 L 8.36 4.35 0.00 1.59 1.59 0.86 1.11 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 31 L 8.82 4.60 0.00 1.67 1.70 0.91 0.66 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 32 A 7.69 4.74 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 33 Y 8.42 5.46 0.00 2.85 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 34 S 8.82 4.23 0.00 3.76 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 35 G 9.67 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 0.00 0.00 0.00 0.00 36 Y 7.21 5.12 0.00 3.12 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 37 G 8.31 4.24 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 0.00 38 D 8.41 4.64 0.00 2.62 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 39 T 7.98 4.10 4.20 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 1.18 0.00 0.00 40 D 7.93 5.11 0.00 2.78 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 41 A 8.07 3.58 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 42 R 7.85 3.77 0.00 1.80 1.94 0.00 3.10 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 43 V 7.58 3.54 2.16 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 1.13 0.00 0.00 0.97 0.00 0.00 44 T 8.13 3.81 4.37 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 1.25 0.00 0.00 45 A 8.27 3.98 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 46 A 8.08 3.93 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 47 I 8.01 3.66 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 1.46 0.62 0.94 0.00 0.00 48 A 8.45 4.06 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 49 S 8.22 4.15 0.00 4.31 4.24 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 50 N 8.24 4.40 0.00 2.95 2.92 0.00 0.00 7.03 7.12 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 51 I 8.12 3.79 2.00 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 1.51 1.02 1.14 0.00 0.00 52 W 8.58 4.13 0.00 3.54 3.26 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 53 A 8.43 4.02 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 54 A 7.81 3.81 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 55 Y 7.52 4.17 0.00 2.75 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 56 D 7.93 4.31 0.00 2.04 2.54 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 57 R 7.37 4.20 0.00 2.00 1.84 0.00 3.22 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 58 N 8.36 5.19 0.00 2.62 2.62 0.00 0.00 6.93 7.98 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 59 G 7.92 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 60 N 9.27 4.20 0.00 2.85 2.87 0.00 0.00 6.61 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 61 Q 8.34 4.29 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 62 A 7.38 4.56 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 63 F 8.18 4.13 0.00 3.01 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 64 N 8.10 4.67 0.00 2.86 2.86 0.00 0.00 6.91 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 65 E 8.41 4.06 0.00 1.91 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 0.00 2.28 2.27 0.00 66 D 8.15 4.75 0.00 2.63 2.51 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 67 S 7.63 4.49 0.00 4.05 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 68 L 8.22 3.98 0.00 1.33 1.23 0.59 -0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.63 4.75 0.00 1.95 2.01 0.00 1.94 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.54 1.41 7.81 70 F 7.90 4.99 0.00 3.13 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 71 I 8.83 4.77 2.01 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 1.04 0.93 0.93 0.00 0.00 72 L 8.70 5.58 0.00 1.50 1.69 1.01 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 73 M 9.35 4.86 0.00 1.96 2.00 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 2.72 2.52 0.00 74 D 8.95 5.27 0.00 3.12 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 75 C 9.13 5.04 0.00 3.14 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 76 M 8.84 4.03 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.56 0.00 77 E 8.37 4.64 0.00 1.92 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 2.22 2.28 0.00 78 G 6.86 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 0.00 0.00 0.00 79 R 8.70 5.43 0.00 1.73 1.87 0.00 3.01 0.00 0.00 2.67 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.55 0.00 80 V 8.82 5.09 2.18 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 1.09 0.00 0.00 1.03 0.00 0.00 81 A 9.16 5.49 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 82 I 8.23 5.07 2.03 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 1.12 1.93 0.84 0.00 0.00 83 T 8.22 4.29 2.91 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 1.02 0.00 0.00 84 R 8.00 4.48 0.00 1.64 1.73 0.00 3.28 0.00 0.00 3.29 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.29 0.00 85 V 8.52 4.31 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 0.72 0.00 0.00 0.92 0.00 0.00 86 A 9.74 3.56 1.03 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 0.00 0.00 87 N 9.22 4.79 0.00 2.64 2.76 0.00 0.00 6.66 7.78 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 88 L 8.13 4.84 0.00 1.56 1.68 0.90 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 89 L 8.91 4.82 0.00 1.32 1.21 0.70 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.65 5.00 0.00 1.52 1.33 0.91 0.79 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 91 C 9.18 5.36 0.00 2.95 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 M 9.13 5.30 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.44 0.00 93 Y 9.14 5.34 0.00 2.99 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 94 A 9.19 4.70 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 95 K 8.73 4.41 0.00 1.62 1.72 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.40 7.81 96 E 8.99 4.07 0.00 1.91 1.99 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 2.53 2.43 0.00 97 T 7.62 4.11 4.20 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 1.18 0.00 0.00 98 V 7.57 3.84 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 0.71 0.00 0.00 0.94 0.00 0.00 99 G 8.42 3.69 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 0.00 0.00 0.00 100 F 8.43 4.46 0.00 3.12 3.01 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 0.00 101 G 8.13 3.61 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 0.00 0.00 0.00 102 M 7.95 4.06 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.62 0.00 103 L 8.09 3.97 0.00 1.84 1.88 0.97 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 104 K 8.21 3.77 0.00 1.69 1.75 0.00 1.23 0.00 0.00 1.35 0.00 0.00 2.71 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.88 0.21 7.81 105 A 8.02 3.98 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 0.00 106 K 8.62 3.89 0.00 1.95 1.87 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.59 7.81 107 A 8.37 4.08 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 0.00 108 Q 8.48 4.03 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.55 2.60 0.00 109 A 8.27 4.01 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 0.00 110 L 7.92 3.95 0.00 1.82 1.87 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 111 V 8.07 3.59 2.31 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 1.18 0.00 0.00 1.06 0.00 0.00 112 Q 8.08 4.00 0.00 2.38 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.74 0.00 0.00 0.00 0.00 0.00 2.45 2.67 0.00 113 Y 7.63 4.19 0.00 2.96 3.14 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 0.00 0.00 0.00 0.00 114 L 8.25 4.24 0.00 1.68 1.73 0.96 1.36 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 0.00 115 E 7.99 4.41 0.00 1.92 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 2.27 2.37 0.00 116 E 8.50 4.38 0.00 1.89 1.95 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 2.21 2.24 0.00 117 P 0.00 4.06 0.00 2.10 2.00 0.00 3.64 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.77 0.00 118 L 8.62 3.95 0.00 1.73 1.62 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00