NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3466 8.1933 115.4057 58.5027 65.4753 172.8974 2 H 4.1916 7.6579 121.2136 55.6155 28.9529 173.5249 3 G 4.0130 8.9242 114.3783 45.2319 0.0000 172.8758 4 S 4.2996 7.1318 113.7174 57.8793 63.2301 173.3250 5 H 5.0627 8.4573 122.1537 53.6012 32.0653 172.9643 6 E 4.7460 8.4811 120.5112 55.1868 31.6109 175.8402 7 T 4.3759 8.5200 111.4863 60.9671 71.1918 175.5439 8 D 4.4216 8.5957 121.1435 57.9811 40.8437 178.9136 9 E 4.0349 8.3666 118.1567 59.7663 29.4343 179.4151 10 E 3.9678 7.9267 117.0748 59.2132 29.6848 178.8450 11 F 4.3434 8.1762 122.0354 60.8070 39.4212 176.8427 12 D 4.5221 8.7746 118.2984 57.4631 40.6751 178.3053 13 A 3.9713 8.1198 121.1356 55.6166 18.4900 179.3557 14 R 3.6597 8.3748 116.8889 59.5955 29.8621 178.6119 15 W 3.9317 7.6426 117.8290 59.2226 29.2128 178.7560 16 V 3.8108 8.4122 118.6378 66.4482 30.8010 177.9819 17 T 3.8684 8.0344 114.3727 66.8798 68.4224 175.3189 18 Y 4.0312 7.7076 120.7651 61.0248 38.5557 178.5029 19 F 4.5725 8.3440 116.4769 59.9767 39.1369 176.7543 20 N 4.8042 8.0512 114.7820 52.9822 38.9261 174.6825 21 K 3.7223 7.3673 122.6933 55.9916 32.4532 174.8539 22 P 4.2677 0.0000 0.0000 65.9080 30.9045 176.8557 23 D 4.7871 7.7983 116.0926 52.7331 39.8707 175.9626 24 I 3.9302 7.4202 120.3789 61.8680 38.5766 175.6593 25 D 4.8859 8.6645 127.2421 51.6024 42.7014 177.2890 26 A 4.0698 8.5233 120.6542 55.1781 18.1531 179.3155 27 W 4.1862 8.4327 126.0981 61.0578 30.7813 177.9162 28 E 4.3263 9.3772 118.6358 59.2699 28.9787 179.3330 29 L 4.3065 8.1239 120.6304 58.2232 42.2190 179.2759 30 R 3.8850 8.3581 118.3141 59.1816 29.9941 178.4498 31 K 3.5470 8.3386 119.7701 59.5721 31.9245 178.3673 32 G 3.9315 8.5178 105.6494 48.4195 0.0000 175.2884 33 M 4.0669 8.1956 121.0074 58.1771 31.8814 178.5802 34 N 4.2409 8.2926 115.3893 56.5907 38.8704 177.3567 35 T 3.9101 8.1093 117.3971 66.3279 68.6291 176.7000 36 L 3.7022 7.6315 122.3186 58.0920 41.7210 178.9583 37 V 3.7694 7.5489 116.7269 64.7739 31.5526 177.4614 38 G 3.5667 7.4981 103.8934 45.7257 0.0000 173.3781 39 Y 4.6713 6.6137 118.5887 57.4793 39.1511 175.8377 40 D 4.6603 8.1950 122.4080 50.7589 39.6487 175.0774 41 L 4.4304 7.0900 121.2794 55.0396 42.4478 174.3404 42 V 4.1886 8.2340 120.0165 60.5487 32.5608 174.1182 43 P 4.4515 0.0000 0.0000 62.4750 31.9875 176.1073 44 E 4.2115 8.7959 121.0743 56.0112 30.4012 176.1572 45 P 4.2669 0.0000 0.0000 65.9601 30.9948 179.0997 46 K 4.2008 8.1609 116.6474 59.9039 32.4281 179.1092 47 I 3.9914 8.1648 121.5818 64.2597 37.1403 178.1415 48 I 3.6192 7.7746 120.2045 64.4100 36.8792 177.4152 49 D 4.2512 8.6215 118.9791 57.4679 41.0232 177.9607 50 A 4.0780 7.8977 120.2969 55.5773 18.3752 179.5312 51 A 3.4986 7.7010 118.6162 54.9138 18.3725 179.9155 52 L 3.8940 7.9265 117.7818 57.9265 41.6756 179.9489 53 R 3.9443 8.4992 118.3473 59.1139 29.9936 178.8621 54 A 4.0587 8.2366 120.7252 55.3624 18.2519 179.3607 55 C 4.0509 8.0493 115.2382 62.9565 28.0961 176.3578 56 R 3.9026 7.7741 119.6567 59.6131 29.5000 178.6365 57 R 3.9631 7.8966 116.5126 59.0155 30.1032 178.0062 58 L 4.4193 7.7423 115.8025 53.2808 42.6659 176.3972 59 N 4.1283 8.0942 115.8989 54.8188 36.5012 175.5663 60 D 4.7748 8.2754 116.4308 52.0605 42.7353 175.5747 61 F 4.2964 8.8827 128.1942 61.1122 39.6364 176.3037 62 A 3.8505 8.2379 119.9475 55.6510 18.0368 179.6387 63 S 3.9814 8.3715 113.0469 61.5861 62.5543 176.8381 64 A 3.8396 7.6913 123.5941 54.9220 18.1494 179.9400 65 V 3.3889 7.0505 116.2442 66.1276 31.7385 178.1713 66 R 4.4969 7.9503 119.8362 58.8420 29.8972 178.4953 67 I 3.6395 7.8581 120.0035 64.3326 37.0897 178.3633 68 L 4.0918 7.5578 118.4445 57.6542 41.5423 179.3273 69 E 3.8248 8.0053 118.1752 59.3485 29.3291 179.4774 70 V 3.5015 7.6676 118.1533 66.0231 31.3424 177.9236 71 V 3.5734 7.3821 116.4069 66.0966 31.6409 177.6566 72 K 3.8277 7.6680 118.5580 59.4158 31.9752 178.2347 73 D 4.2609 8.0112 118.3239 57.4037 40.8823 178.4670 74 K 4.0285 8.1765 117.9271 59.0111 32.2359 178.6650 75 A 4.2022 7.9989 120.0288 52.0819 18.4604 178.8311 76 G 3.8798 8.1311 106.5245 46.2539 0.0000 173.3047 77 P 4.4513 0.0000 0.0000 63.6482 31.6651 176.9374 78 H 4.9386 8.0265 119.1040 53.0996 27.1614 175.4113 79 K 3.9231 8.2983 121.7969 59.8034 32.4690 179.0436 80 E 4.1870 8.1803 117.1573 58.6746 29.3327 179.3251 81 I 3.7502 7.8904 120.6648 64.4210 37.1363 177.3492 82 Y 4.3379 8.1411 119.8168 60.6316 38.5715 176.2248 83 P 4.0150 0.0000 0.0000 65.7569 31.4192 177.9414 84 Y 3.9900 7.6768 117.8460 60.5375 38.7088 178.1618 85 V 3.3635 7.7645 119.0111 66.1646 31.7242 177.7678 86 I 3.4686 7.5660 119.6636 64.4710 36.6608 178.0233 87 Q 3.7967 7.8069 119.3464 59.3836 29.0146 178.2558 88 E 3.9565 7.5488 117.2215 58.1854 29.7930 178.1954 89 L 4.3545 7.5810 117.9610 54.7757 42.1265 178.3789 90 R 3.8472 7.5099 119.5152 59.1791 30.0662 176.3236 91 P 4.2055 0.0000 0.0000 66.3074 31.2745 178.5674 92 T 3.9176 7.8489 113.4779 66.6627 68.3509 176.4027 93 L 3.9807 8.3559 121.1544 57.9565 41.5468 179.4796 94 N 4.3044 8.2721 116.1962 56.1937 38.3181 176.9321 95 E 3.9201 8.2962 119.7130 59.5283 29.8667 178.6119 96 L 4.3036 8.1847 116.4406 54.9312 41.9181 177.4055 97 G 3.8462 7.6511 106.7703 46.4052 0.0000 173.4530 98 I 4.3996 7.9222 121.0476 60.3278 37.8094 176.0289 99 S 4.8428 8.8619 121.9584 57.5436 64.2601 174.9229 100 T 4.2127 8.3214 114.9094 60.9871 70.6597 174.1626 101 P 4.2636 0.0000 0.0000 65.8009 31.3666 178.9453 102 E 4.1620 8.2016 117.1267 59.4465 29.2536 178.9980 103 E 4.0150 7.9642 117.6336 59.3725 29.6916 178.9917 104 L 4.2884 8.0571 116.8778 55.2882 41.9084 178.0649 105 G 3.9261 7.9251 107.5514 46.0877 0.0000 175.1908 106 L 4.3100 8.0913 119.1951 55.8232 41.7792 177.3949 107 D 4.6695 8.0059 117.5090 53.0984 39.7943 175.9370 108 K 4.7122 7.4354 117.3490 55.3082 35.2295 176.5812 109 V 4.0114 8.0965 112.1918 61.7278 32.3468 175.6965 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 S 8.19 4.35 0.00 3.89 4.03 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 2 H 7.66 4.19 0.00 3.26 3.28 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 G 8.92 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 0.00 0.00 0.00 4 S 7.13 4.30 0.00 4.09 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 5 H 8.46 5.06 0.00 3.13 3.18 0.00 5.69 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.48 4.75 0.00 2.31 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 2.39 2.41 0.00 7 T 8.52 4.38 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 1.30 0.00 0.00 8 D 8.60 4.42 0.00 2.73 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 9 E 8.37 4.03 0.00 2.09 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 2.44 2.52 0.00 10 E 7.93 3.97 0.00 2.29 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 0.00 2.35 2.35 0.00 11 F 8.18 4.34 0.00 3.18 3.36 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 12 D 8.77 4.52 0.00 2.99 2.84 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 13 A 8.12 3.97 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 14 R 8.37 3.66 0.00 1.69 1.80 0.00 2.78 0.00 0.00 2.95 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 1.32 0.00 15 W 7.64 3.93 0.00 3.51 3.28 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 16 V 8.41 3.81 2.29 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 1.12 0.00 0.00 1.18 0.00 0.00 17 T 8.03 3.87 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 1.17 0.00 0.00 18 Y 7.71 4.03 0.00 2.75 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 19 F 8.34 4.57 0.00 3.30 3.21 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 20 N 8.05 4.80 0.00 2.86 2.90 0.00 0.00 6.89 7.33 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 21 K 7.37 3.72 0.00 1.63 1.67 0.00 1.59 0.00 0.00 1.56 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.38 7.81 22 P 0.00 4.27 0.00 2.21 2.19 0.00 3.78 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 1.98 1.97 0.00 23 D 7.80 4.79 0.00 2.79 2.78 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 24 I 7.42 3.93 1.93 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 1.41 0.95 1.02 0.00 0.00 25 D 8.66 4.89 0.00 3.09 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 26 A 8.52 4.07 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 27 W 8.43 4.19 0.00 3.38 3.41 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 28 E 9.38 4.33 0.00 2.25 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 2.75 2.88 0.00 29 L 8.12 4.31 0.00 2.00 2.01 0.96 0.98 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 30 R 8.36 3.88 0.00 1.95 1.85 0.00 3.18 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 31 K 8.34 3.55 0.00 0.84 1.79 0.00 1.19 0.00 0.00 1.03 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.39 7.81 32 G 8.52 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 33 M 8.20 4.07 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.73 0.00 34 N 8.29 4.24 0.00 2.74 2.80 0.00 0.00 7.18 7.51 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 35 T 8.11 3.91 4.38 0.00 0.00 0.00 0.00 0.00 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 L 7.63 3.70 0.00 1.39 1.54 -0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.55 3.77 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 0.79 0.00 0.00 0.88 0.00 0.00 38 G 7.50 3.57 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 0.00 0.00 0.00 39 Y 6.61 4.67 0.00 3.07 2.78 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 40 D 8.19 4.66 0.00 2.63 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.09 4.43 0.00 1.73 1.54 1.01 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.23 4.19 2.13 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 0.94 0.00 0.00 0.97 0.00 0.00 43 P 0.00 4.45 0.00 2.10 2.01 0.00 3.76 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 2.01 2.13 0.00 44 E 8.80 4.21 0.00 2.11 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 2.50 2.56 0.00 45 P 0.00 4.27 0.00 2.15 2.06 0.00 3.72 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 2.18 2.22 0.00 46 K 8.16 4.20 0.00 2.04 2.12 0.00 1.56 0.00 0.00 1.87 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.57 1.63 7.81 47 I 8.16 3.99 2.08 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.27 1.17 0.00 0.00 48 I 7.77 3.62 2.00 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 1.78 0.87 0.86 0.00 0.00 49 D 8.62 4.25 0.00 2.80 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 50 A 7.90 4.08 1.57 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 0.00 0.00 51 A 7.70 3.50 0.62 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 52 L 7.93 3.89 0.00 1.82 1.68 0.87 0.78 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 53 R 8.50 3.94 0.00 1.96 1.99 0.00 3.34 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 54 A 8.24 4.06 1.53 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 55 C 8.05 4.05 0.00 3.24 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 56 R 7.77 3.90 0.00 1.96 2.18 0.00 3.20 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 1.65 1.74 0.00 57 R 7.90 3.96 0.00 2.05 2.02 0.00 3.23 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 58 L 7.74 4.42 0.00 1.67 1.72 1.03 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.09 4.13 0.00 2.82 2.86 0.00 0.00 6.59 8.85 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 60 D 8.28 4.77 0.00 2.60 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.88 4.30 0.00 3.16 3.06 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 62 A 8.24 3.85 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 63 S 8.37 3.98 0.00 3.90 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 64 A 7.69 3.84 1.21 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 65 V 7.05 3.39 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 0.95 0.00 0.00 0.42 0.00 0.00 66 R 7.95 4.50 0.00 1.85 1.84 0.00 3.16 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.48 0.00 67 I 7.86 3.64 1.95 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.12 0.80 0.00 0.00 68 L 7.56 4.09 0.00 1.92 1.86 0.91 0.91 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 69 E 8.01 3.82 0.00 2.17 1.92 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 2.27 2.46 0.00 70 V 7.67 3.50 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 1.07 0.00 0.00 0.87 0.00 0.00 71 V 7.38 3.57 2.41 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 1.01 0.00 0.00 1.04 0.00 0.00 72 K 7.67 3.83 0.00 0.79 1.50 0.00 0.80 0.00 0.00 1.20 0.00 0.00 2.76 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.12 0.88 7.81 73 D 8.01 4.26 0.00 2.75 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.18 4.03 0.00 1.96 1.86 0.00 1.74 0.00 0.00 1.67 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.57 7.81 75 A 8.00 4.20 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 76 G 8.13 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.45 0.00 2.11 2.10 0.00 3.62 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 1.61 1.85 0.00 78 H 8.03 4.94 0.00 3.39 3.44 0.00 5.67 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.30 3.92 0.00 1.76 1.94 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.13 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.57 7.81 80 E 8.18 4.19 0.00 2.06 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 2.40 2.48 0.00 81 I 7.89 3.75 1.96 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 1.41 1.06 1.01 0.00 0.00 82 Y 8.14 4.34 0.00 2.99 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 83 P 0.00 4.01 0.00 2.23 2.09 0.00 3.87 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 84 Y 7.68 3.99 0.00 3.20 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 85 V 7.76 3.36 2.25 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 0.97 0.00 0.00 1.17 0.00 0.00 86 I 7.57 3.47 1.63 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 0.47 0.03 0.73 0.00 0.00 87 Q 7.81 3.80 0.00 1.94 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.00 0.00 0.00 0.00 0.00 0.00 2.16 2.30 0.00 88 E 7.55 3.96 0.00 1.82 1.81 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 1.63 1.76 0.00 89 L 7.58 4.35 0.00 1.74 1.62 0.87 0.73 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 90 R 7.51 3.85 0.00 1.97 1.97 0.00 3.28 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.80 0.00 91 P 0.00 4.21 0.00 2.13 2.08 0.00 3.62 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 92 T 7.85 3.92 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 1.20 0.00 0.00 93 L 8.36 3.98 0.00 1.78 1.71 0.86 0.67 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 94 N 8.27 4.30 0.00 2.87 2.85 0.00 0.00 6.70 7.24 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 95 E 8.30 3.92 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 2.34 2.37 0.00 96 L 8.18 4.30 0.00 1.72 1.74 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 97 G 7.65 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 98 I 7.92 4.40 1.90 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.66 0.85 0.00 0.00 99 S 8.86 4.84 0.00 4.12 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 0.00 100 T 8.32 4.21 4.48 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 1.25 0.00 0.00 101 P 0.00 4.26 0.00 2.20 2.14 0.00 3.75 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 102 E 8.20 4.16 0.00 2.12 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 0.00 2.52 2.66 0.00 103 E 7.96 4.01 0.00 2.17 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 2.37 2.37 0.00 104 L 8.06 4.29 0.00 1.66 1.78 1.11 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 105 G 7.93 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 0.00 106 L 8.09 4.31 0.00 1.75 1.72 0.93 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 107 D 8.01 4.67 0.00 2.77 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 0.00 108 K 7.44 4.71 0.00 1.89 1.80 0.00 1.55 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.36 7.81 109 V 8.10 4.01 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