NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4167 8.3044 120.3263 55.9448 32.8374 175.7973 2 H 4.2725 7.8260 122.1080 53.6683 28.7704 171.0843 3 L 4.4054 7.4189 122.3084 53.3902 43.1359 176.3779 4 T 4.1796 8.4131 117.7759 60.2207 71.0489 173.5055 5 P 4.3176 0.0000 0.0000 66.0594 31.3301 178.7005 6 E 3.9409 7.7955 114.7596 59.4281 29.5013 179.0256 7 E 3.8888 7.9255 119.1052 58.7695 29.6510 178.6492 8 K 3.7021 8.7139 120.9010 59.7035 32.1752 178.4909 9 S 4.0245 8.2669 112.9279 61.4885 62.0747 175.4087 10 A 3.9482 8.2841 123.6486 55.5400 18.1148 179.4162 11 V 3.4545 8.3719 115.9268 66.6682 31.3195 178.6434 12 T 3.9786 7.7730 113.4044 66.3613 68.4486 176.1917 13 A 4.1957 8.6229 123.1325 55.4324 18.3403 179.5491 14 L 3.7954 7.7526 118.3533 57.9369 42.0718 178.8639 15 W 4.4310 8.5880 128.0605 60.0651 30.3528 178.0829 16 G 3.6830 7.8095 105.2634 47.3314 0.0000 175.1194 17 K 4.3092 8.0793 119.0724 56.5166 32.8956 177.5432 18 V 3.5232 6.7202 119.8017 62.5870 32.0008 175.9787 19 N 4.5864 8.1390 124.9720 52.0111 38.6911 175.5143 20 V 3.5145 7.9591 121.6035 64.1279 31.6277 177.5842 21 D 4.3435 8.1628 118.1338 57.7332 40.7168 178.1845 22 E 3.8895 7.8924 118.0611 59.3376 29.6031 178.8757 23 V 3.5413 8.0481 118.2032 65.8876 31.6019 178.4960 24 G 3.6382 8.1400 105.6607 47.6060 0.0000 176.0160 25 G 3.5670 7.8608 108.2137 47.5393 0.0000 175.4102 26 E 3.9243 8.2187 121.2522 59.0652 29.5191 179.1682 27 A 3.9932 8.6179 120.8966 55.4414 18.5866 179.5471 28 L 4.0691 8.1918 118.8023 57.9270 41.9872 179.2628 29 G 3.5910 8.3420 106.0233 48.0991 0.0000 175.9619 30 R 3.9333 8.7216 121.7622 58.4129 30.0955 179.0679 31 L 4.1760 7.7382 120.0218 58.2320 41.6461 178.9890 32 L 4.2009 7.9534 118.0477 56.8778 41.2451 179.4682 33 V 3.7239 7.1190 117.9022 65.6104 31.9047 177.9348 34 V 3.6130 7.9924 116.7883 64.4823 32.7794 175.4836 35 Y 4.7756 7.6476 115.8024 54.2515 38.4127 173.8002 36 P 4.6116 0.0000 0.0000 64.4609 31.7790 177.5173 37 A 4.0312 8.1942 119.6391 55.1565 18.2785 179.3438 38 T 4.2910 8.0761 107.6162 64.5974 68.8789 176.3702 39 Q 4.4597 8.3482 121.2010 57.8930 28.4585 178.1853 40 R 3.8678 7.5589 116.7571 58.6343 29.4245 178.1759 41 F 4.2337 7.5663 117.2559 58.2639 39.4920 175.6571 42 F 4.5502 7.7276 118.6798 56.4508 39.4161 176.7786 43 E 4.2603 8.3548 119.4471 58.3623 29.8845 177.5047 44 S 4.5470 7.9066 113.6933 59.5265 63.8791 175.3446 45 F 4.7726 8.6498 119.2946 58.1300 39.5195 177.0588 46 G 3.9699 7.6103 107.4163 45.4920 0.0000 174.7244 47 D 4.4924 8.6966 125.3013 54.4700 41.2890 175.8014 48 L 4.9464 8.3335 126.2855 54.4862 43.3906 177.9723 49 S 4.2784 8.1163 116.7224 60.8300 63.3220 174.3974 50 T 4.7472 7.4468 109.6989 58.2502 73.1717 172.6586 51 P 4.2485 0.0000 0.0000 65.8759 31.2595 178.7921 52 D 4.2983 7.9577 117.5238 57.2522 40.5563 178.3708 53 A 4.0097 8.0064 119.5878 55.7337 18.5754 179.2946 54 V 3.7020 7.9967 116.7002 66.0654 31.4572 177.9454 55 M 3.9857 8.6305 119.5070 58.1865 32.0689 177.9669 56 G 3.8189 7.9250 104.5546 45.5441 0.0000 173.7811 57 N 4.3604 7.9344 120.5654 52.9376 39.8545 173.6875 58 P 4.2849 0.0000 0.0000 65.6268 31.4861 178.6393 59 K 3.7468 8.3929 118.9091 58.9119 31.8788 179.4371 60 V 3.5180 7.5304 118.2506 65.7789 31.6849 178.1488 61 K 4.0480 8.0098 118.1469 59.0926 31.8291 179.2479 62 A 3.9436 7.9123 121.1333 55.4719 18.3406 179.2096 63 H 4.2231 8.3900 117.0098 59.3958 30.0760 177.4702 64 G 3.7689 8.5745 107.9478 47.7827 0.0000 175.5690 65 K 3.9762 7.9004 121.1750 59.2694 32.3397 178.7482 66 K 3.8560 7.7725 118.4122 59.7248 32.0717 179.0704 67 V 3.6637 7.8906 118.0298 66.2858 31.4667 177.8820 68 L 4.4332 8.0593 118.9107 57.4728 41.8967 179.1503 69 G 3.6796 8.1653 105.9466 47.7554 0.0000 175.6303 70 A 4.0942 8.1166 123.4589 54.8317 18.4699 179.3039 71 F 3.9470 8.5203 119.1325 61.7178 39.2266 177.3968 72 S 4.1438 8.1687 113.3004 61.7411 62.9964 176.0677 73 D 4.5788 8.2695 121.5332 57.4339 40.5506 178.9015 74 G 3.6498 7.8581 105.9275 48.1196 0.0000 175.5283 75 L 3.7736 7.3688 119.2585 56.4628 41.5927 178.5744 76 A 4.2573 7.8954 119.4523 52.8680 19.4440 176.7283 77 H 4.9054 8.0715 115.5762 54.5001 29.9108 175.3102 78 L 3.3873 8.1178 120.1061 57.3815 41.7488 178.3067 79 D 4.6202 7.8466 116.1108 54.8524 42.1900 176.0987 80 N 5.0028 8.7763 119.1843 51.4969 39.4054 174.9881 81 L 4.0796 7.7306 121.9019 57.6573 42.1569 179.4632 82 K 4.1100 7.9992 117.6296 59.2929 32.2281 179.2279 83 G 3.6731 8.0367 105.4753 48.0736 0.0000 175.5842 84 T 3.6646 7.6293 117.3402 65.8963 68.6812 175.7241 85 F 4.7091 8.0404 116.6233 57.1300 39.3515 177.3192 86 A 4.0920 7.7434 123.0539 55.8190 18.0359 180.1929 87 T 3.9692 7.8697 107.4023 64.7083 69.0379 176.8968 88 L 4.0954 7.9729 121.5776 57.4898 41.6071 179.0078 89 S 4.3757 8.3766 114.8271 61.0892 62.3309 176.2370 90 E 3.9064 8.1583 121.0425 59.0421 29.0437 179.0029 91 L 3.9101 7.7308 120.2987 58.6413 42.2171 178.7641 92 H 4.0859 8.4876 116.0829 59.0608 28.2787 176.9561 93 C 3.5394 7.5360 120.6383 61.9672 31.1072 175.3106 94 D 4.2501 8.4771 120.9521 56.7615 40.6311 177.7094 95 K 4.2016 8.2514 117.4716 57.7916 33.1112 177.7388 96 L 4.1639 7.6788 116.5706 54.9169 42.5480 176.1073 97 H 4.1272 7.3278 113.9337 56.6550 26.4429 175.4009 98 V 3.7756 8.1263 119.0549 61.1532 32.3289 174.9005 99 D 4.3068 8.6960 127.6012 53.6993 41.7473 174.9689 100 P 2.9700 0.0000 0.0000 63.8434 31.6970 177.7882 101 E 3.7971 8.0668 120.7083 59.3921 29.3967 178.1925 102 N 4.2323 7.7586 116.4890 56.0689 38.5760 177.2951 103 F 4.5190 7.2715 119.0196 60.4569 38.9067 177.8709 104 R 4.0219 8.0641 118.0875 58.8951 29.8063 178.8291 105 L 3.7201 7.7136 118.3928 57.7819 41.6353 178.9641 106 L 4.0974 8.0309 120.2223 58.2569 42.0367 179.3164 107 G 3.6766 8.0728 105.2286 47.9483 0.0000 175.5147 108 N 4.4333 8.1699 119.1422 55.8907 38.6042 177.6704 109 V 3.6168 7.9832 119.7167 66.0075 31.7028 177.5747 110 L 3.8769 8.2501 120.3939 58.4408 41.8298 179.2543 111 V 3.5536 7.6420 117.4443 66.0013 31.4394 177.8716 112 C 4.1167 7.9680 116.6591 62.7624 27.9650 176.1618 113 V 3.6569 7.8523 119.8372 65.8678 31.0110 178.1357 114 L 3.8269 7.6104 118.3940 57.5524 41.3648 179.2906 115 A 3.7816 7.2866 120.6462 55.2981 18.0885 179.1252 116 H 4.1397 8.3509 116.0376 59.7793 29.9977 176.8707 117 H 4.0738 8.1168 116.8412 58.0670 28.9879 176.9888 118 F 4.5399 8.9574 118.4415 56.6888 39.7207 177.4588 119 G 3.8178 9.0421 109.0277 45.8449 0.0000 176.0173 120 K 3.9882 9.1122 122.6577 59.5161 31.9451 177.5301 121 E 4.1433 8.2243 117.4791 59.1510 29.8368 177.6814 122 F 4.4215 8.3935 123.0445 57.1678 37.8088 175.4160 123 T 4.1580 7.3582 115.1025 60.1942 71.3631 173.4588 124 P 4.3327 0.0000 0.0000 65.7534 31.3330 177.0340 125 P 4.1894 0.0000 0.0000 65.5668 31.3145 178.8947 126 V 3.5323 7.2183 116.5953 65.8434 31.3463 177.8526 127 Q 3.5868 8.4667 120.0893 58.8400 28.6538 177.8827 128 A 3.9589 8.1350 120.7577 55.2225 18.8475 179.0764 129 A 4.0508 8.2624 119.3133 55.8050 18.5225 179.5920 130 Y 3.9846 8.2557 114.8678 61.1858 37.8785 178.9738 131 Q 4.1973 8.3500 119.2981 58.5532 28.6931 178.7975 132 K 3.9427 7.9844 119.3820 59.3434 32.1472 179.3317 133 V 3.4856 7.7151 117.8930 66.3073 31.3960 178.2784 134 V 3.8945 7.9754 111.7658 64.2801 31.3004 178.4605 135 A 4.0917 8.1297 120.6626 55.1387 18.2852 179.7751 136 G 3.5599 8.3793 104.6352 48.1412 0.0000 176.0531 137 V 3.3040 8.2293 121.0448 65.3597 31.4676 178.0189 138 A 3.8931 8.2870 121.0002 55.0837 18.2780 179.4229 139 N 4.2941 8.4308 115.0565 56.3621 38.3979 177.5048 140 A 4.0353 7.8020 121.1771 55.2005 18.4965 179.3993 141 L 3.9308 7.8730 116.8703 57.0422 41.4658 179.0358 142 A 4.3117 7.7824 120.0820 54.2626 18.4003 178.6922 143 H 4.1187 7.9793 116.4973 59.0841 29.9487 175.9115 144 K 4.4155 8.0606 116.1493 56.1462 32.0033 176.0257 145 Y 4.1772 7.8638 118.1413 58.1387 38.4260 175.5626 146 H 4.5036 8.3325 118.2966 56.0037 28.5847 173.1026 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 4.42 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.55 0.00 2 H 7.83 4.27 0.00 3.15 3.23 0.00 5.74 0.00 0.00 0.00 0.00 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.42 4.41 0.00 1.55 1.51 0.82 0.94 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 4 T 8.41 4.18 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 1.24 0.00 0.00 5 P 0.00 4.32 0.00 2.15 2.15 0.00 3.55 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 6 E 7.80 3.94 0.00 2.18 2.19 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 2.26 2.47 0.00 7 E 7.93 3.89 0.00 2.08 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 0.00 2.36 2.32 0.00 8 K 8.71 3.70 0.00 1.96 1.87 0.00 1.57 0.00 0.00 1.52 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.39 7.81 9 S 8.27 4.02 0.00 3.90 3.97 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 10 A 8.28 3.95 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 11 V 8.37 3.45 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 0.55 0.00 0.00 nan 0.00 0.00 12 T 7.77 3.98 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 1.26 0.00 0.00 13 A 8.62 4.20 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.75 3.80 0.00 1.71 1.82 -0.09 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.59 4.43 0.00 3.83 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 16 G 7.81 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.08 4.31 0.00 2.20 2.13 0.00 2.07 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.50 7.81 18 V 6.72 3.52 1.15 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 0.02 0.00 0.00 0.87 0.00 0.00 19 N 8.14 4.59 0.00 2.70 2.68 0.00 0.00 7.18 7.71 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 20 V 7.96 3.51 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 0.97 0.00 0.00 21 D 8.16 4.34 0.00 2.75 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 22 E 7.89 3.89 0.00 2.30 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 2.29 2.28 0.00 23 V 8.05 3.54 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 0.82 0.00 0.00 0.53 0.00 0.00 24 G 8.14 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.86 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 26 E 8.22 3.92 0.00 2.22 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 2.33 2.51 0.00 27 A 8.62 3.99 1.30 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 0.00 0.00 28 L 8.19 4.07 0.00 1.81 1.68 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.34 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.72 3.93 0.00 1.83 1.99 0.00 3.10 0.00 0.00 3.05 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 31 L 7.74 4.18 0.00 1.85 1.94 1.05 1.12 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 32 L 7.95 4.20 0.00 1.90 1.75 0.73 0.82 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 33 V 7.12 3.72 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 0.75 0.00 0.00 0.92 0.00 0.00 34 V 7.99 3.61 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.86 0.00 0.00 35 Y 7.65 4.78 0.00 3.24 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 36 P 0.00 4.61 0.00 2.18 2.13 0.00 3.92 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 37 A 8.19 4.03 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 38 T 8.08 4.29 4.61 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 1.43 0.00 0.00 39 Q 8.35 4.46 0.00 2.22 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.84 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 40 R 7.56 3.87 0.00 1.66 1.83 0.00 2.69 0.00 0.00 2.96 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.50 0.00 41 F 7.57 4.23 0.00 2.18 2.32 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 42 F 7.73 4.55 0.00 2.84 1.68 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 0.00 0.00 0.00 0.00 43 E 8.35 4.26 0.00 2.07 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 2.21 2.29 0.00 44 S 7.91 4.55 0.00 4.15 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 45 F 8.65 4.77 0.00 3.14 3.12 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 0.00 0.00 0.00 0.00 46 G 7.61 3.97 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 0.00 0.00 0.00 47 D 8.70 4.49 0.00 2.68 2.63 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 48 L 8.33 4.95 0.00 1.66 1.63 1.03 1.09 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 49 S 8.12 4.28 0.00 3.99 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 50 T 7.45 4.75 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 1.21 0.00 0.00 51 P 0.00 4.25 0.00 2.16 2.13 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 52 D 7.96 4.30 0.00 2.63 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 53 A 8.01 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 54 V 8.00 3.70 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 1.06 0.00 0.00 1.03 0.00 0.00 55 M 8.63 3.99 0.00 1.99 2.15 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.86 0.00 56 G 7.92 3.82 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 0.00 0.00 0.00 57 N 7.93 4.36 0.00 3.13 2.83 0.00 0.00 6.87 7.74 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 58 P 0.00 4.28 0.00 2.25 2.25 0.00 3.70 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 2.02 2.02 0.00 59 K 8.39 3.75 0.00 1.47 0.90 0.00 1.51 0.00 0.00 1.43 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.28 1.30 7.81 60 V 7.53 3.52 2.19 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 0.93 0.00 0.00 1.04 0.00 0.00 61 K 8.01 4.05 0.00 1.82 1.81 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.58 7.81 62 A 7.91 3.94 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.39 4.22 0.00 3.48 3.48 0.00 5.81 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 64 G 8.57 3.77 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 0.00 0.00 0.00 65 K 7.90 3.98 0.00 2.13 1.90 0.00 1.67 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.49 7.81 66 K 7.77 3.86 0.00 1.96 1.88 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.49 7.81 67 V 7.89 3.66 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 1.10 0.00 0.00 1.01 0.00 0.00 68 L 8.06 4.43 0.00 2.05 1.81 1.12 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.17 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.12 4.09 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.52 3.95 0.00 3.45 3.38 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 0.00 72 S 8.17 4.14 0.00 4.29 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 73 D 8.27 4.58 0.00 2.70 2.63 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 74 G 7.86 3.65 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 0.00 0.00 0.00 75 L 7.37 3.77 0.00 1.49 1.49 -0.05 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.90 4.26 1.07 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 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.07 4.91 0.00 3.08 3.13 0.00 5.84 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.12 3.39 0.00 1.51 1.67 0.81 1.01 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 79 D 7.85 4.62 0.00 2.63 2.68 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 0.00 0.00 0.00 0.00 80 N 8.78 5.00 0.00 2.61 2.58 0.00 0.00 7.09 6.54 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 81 L 7.73 4.08 0.00 1.77 1.87 0.87 1.01 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 82 K 8.00 4.11 0.00 1.63 1.60 0.00 1.55 0.00 0.00 1.51 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.37 7.81 83 G 8.04 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 84 T 7.63 3.66 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 0.58 0.00 0.00 85 F 8.04 4.71 0.00 3.21 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 86 A 7.74 4.09 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 87 T 7.87 3.97 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 1.21 0.00 0.00 88 L 7.97 4.10 0.00 1.95 1.89 1.01 1.02 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 89 S 8.38 4.38 0.00 4.12 4.07 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 0.00 0.00 0.00 0.00 90 E 8.16 3.91 0.00 2.06 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 2.30 2.55 0.00 91 L 7.73 3.91 0.00 1.81 1.87 0.90 1.47 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 92 H 8.49 4.09 0.00 3.48 3.73 0.00 5.86 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.54 3.54 0.00 1.23 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 0.00 0.00 0.00 0.00 94 D 8.48 4.25 0.00 2.77 2.66 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 0.00 0.00 0.00 0.00 95 K 8.25 4.20 0.00 1.73 1.79 0.00 1.53 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.40 7.81 96 L 7.68 4.16 0.00 1.71 1.62 0.65 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.33 4.13 0.00 3.40 3.40 0.00 5.64 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.13 3.78 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 0.13 0.00 0.00 0.50 0.00 0.00 99 D 8.70 4.31 0.00 2.75 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 0.00 100 P 0.00 2.97 0.00 1.92 1.74 0.00 3.44 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.75 0.00 101 E 8.07 3.80 0.00 2.20 1.84 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 2.22 2.30 0.00 102 N 7.76 4.23 0.00 2.57 2.75 0.00 0.00 6.96 8.20 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 0.00 103 F 7.27 4.52 0.00 3.07 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 0.00 104 R 8.06 4.02 0.00 1.77 1.96 0.00 3.28 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.93 0.00 105 L 7.71 3.72 0.00 1.72 1.33 0.45 -0.01 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 0.00 106 L 8.03 4.10 0.00 1.86 1.77 0.97 1.23 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 0.00 107 G 8.07 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.17 4.43 0.00 2.91 2.94 0.00 0.00 6.69 7.55 0.00 0.00 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 V 7.98 3.62 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 1.10 0.00 0.00 1.24 0.00 0.00 110 L 8.25 3.88 0.00 1.75 1.88 0.82 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.64 3.55 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 1.29 0.00 0.00 1.16 0.00 0.00 112 C 7.97 4.12 0.00 3.17 2.94 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 0.00 113 V 7.85 3.66 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 0.95 0.00 0.00 0.99 0.00 0.00 114 L 7.61 3.83 0.00 0.95 0.83 0.48 0.84 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 0.00 115 A 7.29 3.78 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 0.00 116 H 8.35 4.14 0.00 3.16 3.47 0.00 5.77 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 8.12 4.07 0.00 2.97 2.63 0.00 5.71 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.96 4.54 0.00 3.38 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 0.00 119 G 9.04 3.82 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 0.00 0.00 0.00 120 K 9.11 3.99 0.00 1.77 1.94 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.53 7.81 121 E 8.22 4.14 0.00 2.54 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 0.00 2.44 2.38 0.00 122 F 8.39 4.42 0.00 3.04 3.18 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 0.00 123 T 7.36 4.16 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 1.31 0.00 0.00 124 P 0.00 4.33 0.00 2.15 2.17 0.00 3.57 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.22 0.00 125 P 0.00 4.19 0.00 2.11 2.07 0.00 3.47 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 2.08 2.11 0.00 126 V 7.22 3.53 1.84 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 0.79 0.00 0.00 0.86 0.00 0.00 127 Q 8.47 3.59 0.00 1.84 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.45 2.64 0.00 128 A 8.13 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 0.00 129 A 8.26 4.05 1.32 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 0.00 130 Y 8.26 3.98 0.00 3.47 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 0.00 131 Q 8.35 4.20 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.82 0.00 0.00 0.00 0.00 0.00 2.74 2.62 0.00 132 K 7.98 3.94 0.00 2.03 1.83 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.39 0.00 0.00 0.00 0.00 1.46 1.59 7.81 133 V 7.72 3.49 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 0.83 0.00 0.00 0.72 0.00 0.00 134 V 7.98 3.89 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 1.09 0.00 0.00 1.18 0.00 0.00 135 A 8.13 4.09 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 0.00 136 G 8.38 3.56 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 0.00 0.00 0.00 137 V 8.23 3.30 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 0.42 0.00 0.00 0.48 0.00 0.00 138 A 8.29 3.89 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 N 8.43 4.29 0.00 2.88 2.87 0.00 0.00 6.89 8.29 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 0.00 140 A 7.80 4.04 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 0.00 141 L 7.87 3.93 0.00 1.11 0.62 0.07 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.78 4.31 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 H 7.98 4.12 0.00 3.16 3.56 0.00 5.94 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.06 4.42 0.00 1.78 1.76 0.00 1.43 0.00 0.00 1.37 0.00 0.00 2.96 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.29 1.66 7.81 145 Y 7.86 4.18 0.00 3.05 2.94 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 0.00 146 H 8.33 4.50 0.00 3.20 3.22 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00