NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 M 4.4053 8.1585 120.3510 55.6531 34.6585 177.5332 15 A 3.7897 8.0219 120.4408 54.2417 18.5172 177.8706 16 K 3.9389 8.7969 118.9969 59.5089 32.6917 177.2024 17 L 4.1482 7.8957 118.8143 58.0633 41.3999 179.1046 18 D 4.4063 8.2388 118.8312 57.1556 40.5065 178.3067 19 E 3.9629 8.0616 118.8778 59.5534 29.4488 178.7605 20 L 4.1693 8.1486 118.8434 57.5231 41.5629 179.3499 21 K 3.3376 8.5492 119.9989 58.9982 31.7704 178.5501 22 Q 3.9311 7.5028 119.2218 58.7016 29.0212 177.4993 23 K 4.2586 7.4135 115.7823 55.8000 32.6568 176.3986 24 L 4.7678 6.6228 119.3364 52.5996 44.6325 176.8423 25 T 4.1912 8.5082 112.0640 60.8301 71.0922 175.7937 26 A 3.9622 8.3552 122.7132 55.3890 18.2893 180.0469 27 K 4.0637 8.0240 116.4045 59.7455 32.1988 179.4572 28 Q 3.5852 7.7191 117.9503 58.7897 28.5190 178.8908 29 I 3.7750 7.7432 120.8120 64.4220 37.1817 178.0956 30 Q 4.1219 8.3987 120.1843 59.3442 28.7774 178.3764 31 A 4.2410 8.7563 121.8096 55.1581 18.5231 179.3775 32 A 3.7992 8.5614 119.2877 55.6477 18.4773 179.4342 33 Y 3.7939 8.1463 115.1688 61.0102 37.9626 178.7647 34 L 4.0103 8.2323 121.1629 58.2213 41.9437 178.8923 35 L 3.9956 8.2163 119.1915 57.8957 41.4945 179.8636 36 V 3.2544 7.5233 117.9373 65.8514 31.3759 177.8197 37 E 3.8572 8.2329 118.7652 59.5283 29.0818 178.8762 38 N 4.3274 8.3123 116.8329 56.1786 38.6598 176.1811 39 E 4.3187 7.3386 118.2973 56.9575 30.5743 176.7629 40 L 4.6725 7.9145 115.7423 54.3610 42.4660 175.6819 41 M 4.8122 7.4447 117.4913 54.5975 35.4135 174.7319 42 E 3.9461 8.9623 130.0500 57.2031 29.6140 174.1046 *47 E 4.3122 7.7459 115.6840 56.0633 30.6876 174.2969 48 K 4.3885 8.1616 122.6165 57.9513 34.4549 177.2592 49 R 4.3536 8.2080 116.3251 55.9714 30.9041 176.9053 50 T 4.3268 8.9552 115.8859 61.1823 69.5999 175.8861 51 Q 4.0457 8.5605 122.6205 59.2658 28.6761 179.0731 52 D 4.3487 8.0717 119.1244 57.5411 40.8724 178.5690 53 E 4.0274 8.1531 118.4948 59.6766 29.4883 179.2621 54 M 4.0696 8.3104 118.5672 58.1655 32.0363 178.5258 55 A 3.9621 8.2624 121.2416 55.1987 18.5698 179.1245 56 N 4.2016 8.5279 115.8758 56.8575 38.8136 176.4579 57 E 3.9463 8.1848 119.5953 59.4434 29.8213 178.4003 58 L 4.3117 8.0951 116.5085 54.6864 42.0788 176.9704 59 G 3.9353 7.9686 107.1377 46.7050 0.0000 173.4330 60 I 4.5680 7.4601 110.8290 57.5167 40.9932 175.1661 61 N 4.3511 8.2388 119.1353 53.3734 40.6566 175.4705 62 R 3.8545 8.6777 126.7813 60.2023 30.0258 178.8600 63 T 3.9050 8.1376 109.1797 64.7660 68.7423 176.9763 64 T 3.4804 7.4165 118.2598 66.1645 68.5275 176.1614 65 L 3.5039 7.3010 122.0159 57.6665 42.0798 178.6229 66 W 4.0762 8.0587 128.2519 60.6152 30.5211 177.5050 67 E 4.0859 8.3115 119.0645 59.0753 28.7988 178.7532 68 W 4.2012 8.0644 118.9570 60.0056 28.8367 178.8103 69 R 4.1750 8.0135 116.7927 58.6931 29.5100 178.2522 70 T 4.3197 7.6564 107.7274 61.7962 70.0710 175.3474 71 K 4.3966 8.3845 118.3023 55.6425 34.4219 175.4583 72 N 4.7641 7.7939 118.1166 51.9085 38.4282 175.1066 73 Q 4.0736 8.5501 126.2972 58.8893 28.8495 178.3767 74 D 4.3497 8.1523 119.6686 57.1157 40.8588 178.2597 75 F 4.0944 8.8854 121.4923 61.3670 39.4559 177.0197 76 I 3.6094 8.1021 119.1460 64.4650 37.0362 178.1110 77 A 3.9535 8.1103 121.4124 55.2212 18.1021 179.4860 78 F 4.0326 8.1777 118.9718 61.2928 39.4605 177.2263 79 K 3.3546 7.9593 119.5324 59.4479 31.8911 178.9031 80 S 4.0121 7.9343 115.4113 61.3868 62.6682 176.3202 81 E 3.7905 7.8535 121.9491 59.0704 29.3827 178.9632 82 V 3.2121 7.3172 118.2646 65.7265 31.4566 177.6217 83 A 3.8324 7.9934 120.8300 55.4089 18.0835 179.2600 84 D 4.2800 8.0057 117.1316 57.5237 41.0017 179.0612 85 S 4.0409 8.0217 113.4918 61.4735 62.2106 176.1862 86 F 3.9311 8.2628 119.1305 60.4211 39.0058 177.1152 87 L 4.0910 8.1755 119.7026 58.1143 41.7822 178.7551 88 A 3.9469 8.2139 120.9409 55.2049 18.0983 179.0359 89 E 3.9361 7.8158 115.6291 58.2962 29.9564 178.0939 90 K 4.2333 7.7922 117.2244 56.7785 32.0960 178.1702 91 R 3.5448 7.4657 121.8066 59.6440 29.8658 178.2617 92 E 3.9100 7.9039 116.2892 59.2941 29.4404 178.9020 93 Q 3.9835 7.9916 119.3830 58.7127 28.6857 178.7233 94 V 3.6160 7.6050 118.8249 66.2471 31.7300 177.4147 95 Y 4.4277 8.0864 116.5748 61.2830 37.7030 178.6735 96 S 4.1841 8.4217 114.0050 61.4853 62.5319 176.4816 97 K 4.0274 7.9519 121.1833 59.1436 31.8992 178.9071 98 L 3.9943 8.2061 120.8197 58.7917 42.0279 179.1648 99 M 4.1339 8.2710 118.3307 58.3685 31.8628 178.7657 100 Q 4.0298 8.2918 118.3409 59.0479 28.8765 178.9264 101 L 4.0505 8.0571 119.9489 57.7796 41.3802 179.6805 102 I 3.7356 7.5967 118.7672 63.6077 37.1799 177.4958 103 L 4.6032 7.8154 116.7672 55.1071 41.5856 177.6415 104 G 3.9541 7.9360 106.9625 43.2349 0.0000 172.2417 105 P 4.4704 0.0000 0.0000 64.8983 31.6901 176.6247 106 Q 4.5391 7.0838 117.9920 52.3592 28.5185 172.0644 107 P 4.3463 0.0000 0.0000 62.9996 32.3710 176.0814 108 S 4.4456 8.8250 118.6859 57.1273 62.6697 174.8637 109 V 3.6374 8.4200 128.3027 65.8617 31.3651 177.6097 110 K 3.9566 8.0902 118.8586 59.4075 32.0291 178.4746 111 A 4.0450 8.0930 121.1245 55.3623 18.2747 179.4446 112 M 4.0287 8.1335 117.2595 58.5455 31.9448 178.6317 113 Q 4.0036 8.5242 120.0335 59.3271 29.1434 178.5075 114 L 3.9664 7.9108 119.7827 57.8183 41.6496 178.7201 115 Y 3.8796 8.2166 119.4820 61.1816 38.6717 178.3312 116 M 4.3796 8.4521 119.4686 58.6186 32.1734 178.8641 117 Q 3.9660 8.4932 118.5755 58.7738 28.5849 178.6072 118 R 3.5504 7.7511 119.7864 58.6818 30.0450 177.0353 119 F 4.6244 7.4027 112.2231 56.3391 39.1589 175.6120 120 G 3.9612 7.5237 107.8186 46.8136 0.0000 174.9738 121 L 4.3786 8.3085 118.4549 54.6925 42.4962 177.1463 122 L 4.7914 7.6815 118.8860 53.0670 43.6453 175.8652 123 T 4.7214 8.2955 118.5729 61.7943 72.2070 172.9691 124 D 5.0435 8.4582 123.9872 52.2657 44.0603 175.7839 125 K 4.2755 8.4459 121.7073 55.5382 33.0805 176.3226 126 K 4.4544 8.5266 123.8175 54.4167 34.2019 175.0195 127 V 4.2722 8.4074 125.8654 61.0290 32.9468 174.4507 128 I 4.4456 8.3509 127.7997 59.5875 39.0219 174.7374 129 E 4.6438 8.8883 124.3277 54.9017 32.3966 176.4451 130 G 4.0266 8.7226 106.7313 45.5439 0.0000 173.4940 131 D 4.4862 8.3086 118.2024 53.3324 39.7389 176.3497 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 14 M 8.16 4.41 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.62 0.00 15 A 8.02 3.79 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 16 K 8.80 3.94 0.00 1.84 1.82 0.00 1.71 0.00 0.00 1.96 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.54 7.81 17 L 7.90 4.15 0.00 1.96 1.90 0.96 0.88 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 18 D 8.24 4.41 0.00 2.81 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 19 E 8.06 3.96 0.00 2.06 2.20 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 2.33 2.37 0.00 20 L 8.15 4.17 0.00 2.03 1.89 1.00 0.61 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 21 K 8.55 3.34 0.00 1.78 1.99 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.29 1.17 7.81 22 Q 7.50 3.93 0.00 2.05 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.69 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 23 K 7.41 4.26 0.00 1.74 1.95 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.44 7.81 24 L 6.62 4.77 0.00 1.39 1.30 0.90 0.68 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 25 T 8.51 4.19 4.19 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 1.13 0.00 0.00 26 A 8.36 3.96 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 27 K 8.02 4.06 0.00 1.93 2.26 0.00 1.95 0.00 0.00 2.10 0.00 0.00 3.03 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.65 1.67 7.81 28 Q 7.72 3.59 0.00 1.94 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 29 I 7.74 3.78 2.03 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.53 1.14 0.00 0.00 30 Q 8.40 4.12 0.00 2.35 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 31 A 8.76 4.24 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 0.00 0.00 0.00 0.00 0.00 32 A 8.56 3.80 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 33 Y 8.15 3.79 0.00 3.24 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 34 L 8.23 4.01 0.00 2.03 1.94 1.03 0.54 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 35 L 8.22 4.00 0.00 1.86 1.69 1.20 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 36 V 7.52 3.25 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 0.07 0.00 0.00 0.60 0.00 0.00 37 E 8.23 3.86 0.00 2.18 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 0.00 2.69 2.58 0.00 38 N 8.31 4.33 0.00 3.01 2.93 0.00 0.00 7.14 6.98 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 39 E 7.34 4.32 0.00 1.85 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 2.31 2.41 0.00 40 L 7.91 4.67 0.00 1.64 1.80 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 41 M 7.44 4.81 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.62 0.00 42 E 8.96 3.95 0.00 2.18 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 0.00 2.20 2.30 0.00 *47 E 7.75 4.31 0.00 2.07 1.88 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 2.39 2.36 0.00 48 K 8.16 4.39 0.00 1.76 1.74 0.00 1.88 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.53 7.81 49 R 8.21 4.35 0.00 2.02 1.86 0.00 3.31 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.58 0.00 50 T 8.96 4.33 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 1.28 0.00 0.00 51 Q 8.56 4.05 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.68 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 52 D 8.07 4.35 0.00 2.69 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 53 E 8.15 4.03 0.00 2.17 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 2.41 2.41 0.00 54 M 8.31 4.07 0.00 2.12 2.15 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 2.76 2.59 0.00 55 A 8.26 3.96 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 56 N 8.53 4.20 0.00 2.81 2.98 0.00 0.00 6.89 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 57 E 8.18 3.95 0.00 2.20 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 0.00 2.37 2.39 0.00 58 L 8.10 4.31 0.00 1.85 1.79 1.07 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 59 G 7.97 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 60 I 7.46 4.57 1.58 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.59 0.95 0.00 0.00 61 N 8.24 4.35 0.00 2.68 2.59 0.00 0.00 6.50 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 62 R 8.68 3.85 0.00 1.92 1.88 0.00 3.20 0.00 0.00 4.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 63 T 8.14 3.91 4.14 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 1.08 0.00 0.00 64 T 7.42 3.48 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 0.17 0.00 0.00 65 L 7.30 3.50 0.00 1.59 1.73 1.00 1.04 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 66 W 8.06 4.08 0.00 3.48 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 67 E 8.31 4.09 0.00 2.25 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 2.46 2.46 0.00 68 W 8.06 4.20 0.00 3.00 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 69 R 8.01 4.18 0.00 1.78 1.91 0.00 3.20 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.89 0.00 70 T 7.66 4.32 4.11 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 0.43 0.00 0.00 71 K 8.38 4.40 0.00 1.92 1.90 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.42 1.57 7.81 72 N 7.79 4.76 0.00 2.76 2.96 0.00 0.00 7.04 7.01 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 73 Q 8.55 4.07 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.69 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 74 D 8.15 4.35 0.00 2.87 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 75 F 8.89 4.09 0.00 2.96 3.24 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 76 I 8.10 3.61 1.91 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 1.57 1.02 0.90 0.00 0.00 77 A 8.11 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 78 F 8.18 4.03 0.00 3.08 3.02 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 0.00 0.00 0.00 79 K 7.96 3.35 0.00 1.21 1.55 0.00 1.56 0.00 0.00 1.35 0.00 0.00 3.02 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.17 1.13 7.81 80 S 7.93 4.01 0.00 3.96 3.80 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 81 E 7.85 3.79 0.00 1.97 1.77 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 2.25 2.24 0.00 82 V 7.32 3.21 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 -0.47 0.00 0.00 83 A 7.99 3.83 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 84 D 8.01 4.28 0.00 2.85 2.69 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 85 S 8.02 4.04 0.00 3.88 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 86 F 8.26 3.93 0.00 3.04 3.11 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 87 L 8.18 4.09 0.00 1.86 1.80 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.21 3.95 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 89 E 7.82 3.94 0.00 1.99 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 2.22 2.35 0.00 90 K 7.79 4.23 0.00 1.88 1.77 0.00 1.76 0.00 0.00 1.56 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.74 1.58 7.81 91 R 7.47 3.54 0.00 1.76 1.65 0.00 2.86 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.10 0.00 92 E 7.90 3.91 0.00 2.22 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 0.00 2.34 2.34 0.00 93 Q 7.99 3.98 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 94 V 7.61 3.62 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 1.21 0.00 0.00 0.95 0.00 0.00 95 Y 8.09 4.43 0.00 3.24 2.99 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 96 S 8.42 4.18 0.00 4.03 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 97 K 7.95 4.03 0.00 1.92 1.87 0.00 1.77 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.74 1.61 7.81 98 L 8.21 3.99 0.00 1.95 1.99 0.99 0.95 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 99 M 8.27 4.13 0.00 2.10 2.15 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 2.68 2.94 0.00 100 Q 8.29 4.03 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.61 0.00 101 L 8.06 4.05 0.00 1.91 1.73 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.60 3.74 1.95 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 1.50 0.60 0.81 0.00 0.00 103 L 7.82 4.60 0.00 1.66 1.68 0.90 0.71 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 0.00 104 G 7.94 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 0.00 0.00 0.00 0.00 105 P 0.00 4.47 0.00 2.19 2.20 0.00 3.71 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 1.99 1.99 0.00 106 Q 7.08 4.54 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 107 P 0.00 4.35 0.00 2.02 2.16 0.00 3.66 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.22 0.00 108 S 8.83 4.45 0.00 3.86 3.76 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 0.00 109 V 8.42 3.64 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 1.02 0.00 0.00 0.93 0.00 0.00 110 K 8.09 3.96 0.00 1.91 1.80 0.00 1.68 0.00 0.00 1.83 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.59 7.81 111 A 8.09 4.05 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 0.00 112 M 8.13 4.03 0.00 2.10 2.28 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.51 0.00 113 Q 8.52 4.00 0.00 2.10 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.52 2.43 0.00 114 L 7.91 3.97 0.00 1.97 1.71 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 115 Y 8.22 3.88 0.00 3.14 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 0.00 116 M 8.45 4.38 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.75 0.00 117 Q 8.49 3.97 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 118 R 7.75 3.55 0.00 1.43 1.45 0.00 2.93 0.00 0.00 2.99 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.50 0.00 119 F 7.40 4.62 0.00 3.02 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 0.00 120 G 7.52 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 0.00 0.00 0.00 121 L 8.31 4.38 0.00 1.77 1.78 1.06 0.98 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 0.00 122 L 7.68 4.79 0.00 1.62 1.58 0.94 0.83 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 0.00 123 T 8.30 4.72 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 0.00 124 D 8.46 5.04 0.00 2.62 2.53 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 0.00 125 K 8.45 4.28 0.00 1.74 1.73 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.42 7.81 126 K 8.53 4.45 0.00 1.66 1.66 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.37 7.81 127 V 8.41 4.27 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 0.93 0.00 0.00 0.93 0.00 0.00 128 I 8.35 4.45 1.87 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 1.41 0.78 0.91 0.00 0.00 129 E 8.89 4.64 0.00 1.90 1.83 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 2.20 2.32 0.00 130 G 8.72 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 0.00 0.00 0.00 131 D 8.31 4.49 0.00 2.78 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 * Residues marked with a * may have inaccurate shift predictions.