NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.5503 8.1693 120.9857 55.6429 43.0865 179.1090 4 T 4.3315 8.8815 116.8333 60.7153 67.3836 176.2376 5 A 4.6579 9.1801 119.3080 51.4685 23.2373 176.5250 6 E 4.4443 9.1023 120.7744 56.9323 28.1343 176.5796 7 E 4.1073 7.6074 116.3550 59.0770 29.7838 178.9805 8 K 3.8100 8.1177 119.1871 58.7027 32.5125 177.7961 9 A 4.3687 7.8742 119.7719 53.2330 19.7296 177.8707 10 A 4.2075 7.7089 118.2003 55.1504 18.5547 180.3633 11 V 3.4412 7.8809 104.1262 63.8996 32.0843 178.5731 12 T 4.1279 7.7278 116.4755 67.4549 68.7922 176.3346 13 G 3.9480 8.0816 105.8553 47.6151 0.0000 174.3480 14 F 4.8708 8.8221 121.3888 58.7683 39.5759 177.2371 15 W 4.4128 8.5240 127.9344 59.8021 30.2695 177.0436 16 G 3.5219 8.0194 105.4545 46.4089 0.0000 174.1193 17 K 4.1708 7.3728 118.2521 56.2228 32.8650 176.7465 18 V 3.3269 6.3484 119.8552 61.7923 31.5802 176.3532 19 K 3.9375 8.2643 127.3398 56.3714 32.0666 177.9737 20 V 3.4289 7.8989 119.4307 63.8752 31.1172 178.3996 21 D 4.2334 7.7813 118.3806 57.3408 40.5998 178.1154 22 E 3.9024 8.0518 118.5339 59.5375 29.3467 179.6211 23 V 3.5781 7.5695 117.5106 66.5874 31.7122 177.4690 24 G 3.7172 9.0727 104.0658 47.2221 0.0000 175.5532 25 A 3.8689 7.6649 120.3633 54.2530 19.2423 179.5236 26 E 3.8690 7.8884 117.3799 58.9245 29.6094 178.5020 27 A 3.8939 8.7616 121.7982 54.9680 18.4637 178.8857 28 L 4.0734 8.0915 118.4358 58.5768 42.1847 179.5489 29 G 3.6495 8.3276 105.4867 48.0357 0.0000 175.7129 30 R 3.8832 8.3188 120.7132 58.7108 29.9473 178.6835 31 L 3.8391 8.4998 121.1840 58.2869 42.0007 179.1693 32 L 3.9549 7.6721 118.3265 57.5258 41.4190 179.5736 33 V 3.4962 7.3269 116.9445 65.7932 31.5546 177.7716 34 V 3.8003 7.5055 116.6440 63.5959 32.7750 175.3527 35 Y 4.0270 7.2173 117.7610 55.1269 37.3908 173.9909 36 P 5.2441 0.0000 0.0000 62.6137 31.7443 177.1839 37 W 4.5931 7.5371 115.4802 58.2326 28.6842 177.3617 38 T 4.3550 7.5305 116.5551 65.6352 67.9663 176.1397 39 Q 4.3212 7.5373 118.4715 57.6316 28.6849 177.7168 40 R 4.1713 7.6899 119.7396 58.9853 30.4587 177.8597 41 F 3.9963 8.4052 115.8851 59.0206 39.1607 176.0663 42 F 4.3274 7.5994 115.7001 56.7588 39.2670 176.9531 43 E 4.0945 8.1215 120.5516 58.9390 29.6917 177.9032 44 H 4.4000 8.2597 115.7944 58.7135 28.6434 177.2841 45 F 4.5943 7.9386 118.4417 59.5309 39.6411 174.9481 46 G 3.8725 7.6587 106.4008 43.6311 0.0000 173.4983 47 D 4.3693 8.8662 124.5459 55.2359 40.1580 176.7294 48 L 4.8446 8.4234 127.1104 54.2506 42.8130 178.6919 49 S 4.2329 9.6537 117.5375 61.1152 62.8664 174.6239 50 S 4.7392 7.5074 111.4549 54.9785 67.2556 174.4513 51 A 3.9079 8.4206 122.4371 55.5088 17.8546 178.8867 52 D 4.2706 8.1884 114.4950 57.7216 41.4817 178.4090 53 A 4.1216 7.6972 121.0644 55.3607 18.2616 179.3301 54 V 3.5862 8.1193 116.8964 66.1857 31.3655 178.2018 55 M 3.7781 7.4784 118.9834 57.6487 33.0126 177.6174 56 N 4.7371 7.4781 115.8261 52.5327 38.3806 176.0949 57 N 4.7164 7.7630 116.8809 51.6531 41.2117 174.7519 58 A 3.8530 8.3532 128.2784 55.1060 18.8606 178.9648 59 K 3.6990 7.9412 115.9215 58.4357 32.0043 180.2747 60 V 3.5212 7.8548 113.3380 64.1799 31.3633 178.1776 61 K 3.7949 8.0100 116.2245 59.9413 32.0415 178.2538 62 A 4.0014 7.9171 120.4533 55.7734 18.2135 179.1821 63 H 4.3933 8.6216 116.1355 58.9103 29.9641 177.8477 64 G 3.6132 8.3075 107.8486 47.5191 0.0000 175.7980 65 K 4.0146 7.7296 120.5883 59.3808 32.0178 179.5779 66 K 4.1967 7.9969 118.1644 59.5715 32.1252 179.3398 67 V 3.6410 7.8481 119.0785 66.1266 31.3103 177.6999 68 L 4.3191 7.8910 119.0144 57.9909 42.2898 177.8220 69 D 4.3849 9.1377 120.2596 57.6007 40.8236 179.0228 70 S 4.5067 8.5080 113.7197 59.9956 63.3831 176.3257 71 F 3.8713 8.3674 124.1784 61.3607 39.4643 176.5469 72 S 4.4317 9.5420 115.9520 62.1852 62.9159 176.0533 73 N 4.3842 8.5124 119.2574 57.0958 38.4639 176.9464 74 G 3.6523 7.8760 104.9358 46.8911 0.0000 175.4240 75 M 3.9586 7.9339 121.0859 58.2274 32.0844 178.1429 76 K 3.9743 7.9272 116.6642 59.2757 33.0828 178.8892 77 H 4.8912 7.8459 115.7746 54.8311 28.4485 175.2784 78 L 4.5843 7.6513 116.7082 55.5830 42.1946 176.6214 79 D 4.7715 8.4110 116.0643 53.2198 43.6941 175.7572 80 D 4.8794 7.7139 118.2973 52.3092 40.8555 175.5530 81 L 4.2901 7.8876 121.7740 56.7556 43.1331 178.9580 82 K 4.2503 8.2050 118.2563 59.3211 33.5479 179.3775 83 G 4.1552 8.9522 107.8209 44.7366 0.0000 177.5228 84 T 3.1961 8.0060 112.0963 63.4229 71.0757 174.6799 85 F 4.3180 9.0118 121.8802 60.3100 38.7785 178.3751 86 A 3.7602 7.6084 117.6382 54.3063 18.5268 178.4469 87 Q 4.1405 7.7289 114.2549 56.9098 29.4214 176.3570 88 L 4.6548 8.5986 119.6176 56.5689 44.3910 178.4013 89 S 4.0269 8.3878 112.2695 61.5763 62.0895 175.4558 90 E 3.8245 8.4701 122.1572 59.5796 29.2280 178.8233 91 L 3.9587 7.8762 119.3878 58.5319 42.2009 178.4521 92 H 4.3591 8.3570 116.0919 58.6589 28.7816 177.3419 93 C 4.3256 8.5266 118.6166 61.2607 27.9755 174.9178 94 D 4.5821 7.7061 117.0977 53.6205 41.2547 176.2006 95 K 4.5807 7.9839 117.4548 55.6049 33.8112 176.6057 96 L 4.6349 7.4963 114.8866 55.6051 44.4346 176.2925 97 H 4.8730 8.0800 112.1115 56.4189 25.7166 175.2783 98 V 3.6341 8.4300 120.0172 62.2351 31.8707 175.0757 99 D 4.5018 8.5882 127.3264 53.5019 42.1674 174.6046 100 P 4.7405 0.0000 0.0000 66.2297 31.4841 178.3346 101 E 4.1164 7.9805 117.1245 59.1898 29.3574 178.3430 102 N 4.4193 7.8333 115.8837 55.4628 38.6570 177.3413 103 F 4.3074 7.7410 120.1423 60.2929 38.9122 177.5000 104 K 3.9946 8.2070 117.6673 59.5856 31.8423 179.0632 105 L 4.0302 7.7573 118.6594 57.9301 41.7589 179.5082 106 L 3.6558 8.1566 120.0816 57.9146 42.0808 179.1561 107 G 3.8647 8.3493 105.9690 47.3764 0.0000 175.7774 108 N 4.5147 8.6026 119.1809 56.2988 38.7136 177.3481 109 V 3.5932 8.7113 120.7306 66.2277 31.4658 177.5018 110 L 3.8548 7.5436 118.2983 58.2181 41.8514 178.7482 111 V 3.6277 7.4187 116.7977 66.2739 31.1850 177.8419 112 V 3.5885 7.4344 115.9816 66.2496 31.5726 177.4852 113 V 3.7006 7.8198 117.6156 66.3189 31.1961 177.7435 114 L 3.7438 8.1918 118.4108 57.8958 41.3706 179.5840 115 A 4.0251 8.0733 120.3634 54.4809 18.0632 178.8701 116 R 4.1966 7.5923 115.4276 57.8128 30.5701 177.4279 117 H 4.3675 7.8463 114.5506 57.7524 29.4863 175.8946 118 H 4.8081 8.6068 116.0564 52.6617 30.1198 177.7142 119 G 3.9018 8.7524 109.6710 46.0265 0.0000 176.4360 120 S 4.1462 9.3320 118.3488 61.0621 62.7816 175.4912 121 E 4.1392 8.2661 119.2793 57.8161 29.6667 177.0884 122 F 4.4432 7.9477 123.0806 56.7747 37.9232 175.6650 123 T 4.0817 7.3052 115.7319 60.2069 71.1340 173.5695 124 P 4.1711 0.0000 0.0000 65.2372 31.2125 178.9207 125 L 3.8736 7.6589 119.0067 58.1774 42.1889 178.6077 126 L 4.0099 7.3653 118.6225 57.8144 41.3101 179.3281 127 Q 3.5829 7.8457 119.3449 59.0814 28.8288 178.1214 128 A 4.0360 7.4390 120.8737 55.5922 18.6025 178.9971 129 E 4.0260 8.5147 117.3856 59.3083 29.5754 179.2570 130 F 3.7505 9.0760 118.0712 61.1357 38.6859 177.8942 131 Q 4.2962 9.3172 120.1777 58.7596 28.5659 178.3109 132 K 4.0012 8.9631 120.1262 60.1040 32.4076 178.5536 133 V 3.3778 8.0202 117.5455 65.4733 30.9917 177.7058 134 V 3.7663 8.8163 111.1881 64.8621 31.9927 178.2374 135 A 4.1404 7.7866 119.1276 55.8935 18.1303 179.4011 136 G 3.5069 8.8373 104.3335 47.3156 0.0000 175.6959 137 V 2.8950 7.5041 119.6315 65.3200 31.2346 178.3197 138 A 3.9255 8.7733 121.0063 54.8713 18.1231 179.3393 139 N 4.3691 8.2956 115.2288 56.1339 38.3559 177.3400 140 A 4.0799 7.5363 121.4279 54.4034 18.5084 179.2539 141 L 3.8331 6.9327 117.0010 57.2432 42.0432 178.7920 142 A 4.1099 7.4221 119.3634 57.0937 18.2655 180.0518 143 H 3.3004 8.7967 113.9577 58.9983 30.5961 178.8900 144 R 3.3193 8.1851 118.6272 57.6137 31.3292 178.0103 145 Y 4.3193 7.7390 116.5827 61.5876 38.2666 176.8024 146 H 4.5331 8.6204 121.1228 56.1180 28.7573 175.2693 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 L 8.17 4.55 0.00 1.90 1.78 0.86 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.88 4.33 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 1.29 0.00 0.00 5 A 9.18 4.66 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 6 E 9.10 4.44 0.00 2.16 2.24 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 2.19 2.32 0.00 7 E 7.61 4.11 0.00 2.17 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 2.47 2.25 0.00 8 K 8.12 3.81 0.00 1.89 1.83 0.00 1.68 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.43 7.81 9 A 7.87 4.37 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 10 A 7.71 4.21 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 11 V 7.88 3.44 1.80 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 0.44 0.00 0.00 0.98 0.00 0.00 12 T 7.73 4.13 4.47 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 1.29 0.00 0.00 13 G 8.08 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 14 F 8.82 4.87 0.00 3.15 3.60 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 0.00 0.00 0.00 15 W 8.52 4.41 0.00 3.58 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 G 8.02 3.52 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 0.00 0.00 0.00 17 K 7.37 4.17 0.00 1.83 1.91 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.17 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.47 7.81 18 V 6.35 3.33 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 0.22 0.00 0.00 0.18 0.00 0.00 19 K 8.26 3.94 0.00 1.66 1.63 0.00 1.93 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.41 7.81 20 V 7.90 3.43 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 0.23 0.00 0.00 0.85 0.00 0.00 21 D 7.78 4.23 0.00 2.70 2.65 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 22 E 8.05 3.90 0.00 1.86 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 2.36 2.32 0.00 23 V 7.57 3.58 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 0.94 0.00 0.00 0.73 0.00 0.00 24 G 9.07 3.72 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 0.00 0.00 0.00 25 A 7.66 3.87 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 26 E 7.89 3.87 0.00 2.13 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 0.00 2.27 2.29 0.00 27 A 8.76 3.89 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 28 L 8.09 4.07 0.00 1.81 1.62 0.83 0.82 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 29 G 8.33 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 30 R 8.32 3.88 0.00 2.04 1.89 0.00 3.09 0.00 0.00 3.03 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 31 L 8.50 3.84 0.00 1.78 1.85 1.08 -0.12 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 32 L 7.67 3.95 0.00 1.68 1.68 0.90 1.23 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 33 V 7.33 3.50 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 0.72 0.00 0.00 0.93 0.00 0.00 34 V 7.51 3.80 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 -0.02 0.00 0.00 0.72 0.00 0.00 35 Y 7.22 4.03 0.00 2.59 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 36 P 0.00 5.24 0.00 2.33 2.28 0.00 3.74 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 2.28 1.96 0.00 37 W 7.54 4.59 0.00 3.51 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 38 T 7.53 4.36 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 1.35 0.00 0.00 39 Q 7.54 4.32 0.00 2.45 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.93 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 40 R 7.69 4.17 0.00 1.86 2.29 0.00 3.25 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 1.33 1.40 0.00 41 F 8.41 4.00 0.00 2.35 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 42 F 7.60 4.33 0.00 2.99 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 43 E 8.12 4.09 0.00 2.10 2.12 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 2.49 2.30 0.00 44 H 8.26 4.40 0.00 3.54 3.63 0.00 5.69 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 45 F 7.94 4.59 0.00 3.20 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 46 G 7.66 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 0.00 0.00 0.00 47 D 8.87 4.37 0.00 2.65 2.65 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 48 L 8.42 4.84 0.00 1.88 1.63 1.08 0.93 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 49 S 9.65 4.23 0.00 3.85 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 0.00 50 S 7.51 4.74 0.00 3.97 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 51 A 8.42 3.91 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.19 4.27 0.00 2.65 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 53 A 7.70 4.12 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 54 V 8.12 3.59 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 1.04 0.00 0.00 0.93 0.00 0.00 55 M 7.48 3.78 0.00 1.95 2.10 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 2.61 2.96 0.00 56 N 7.48 4.74 0.00 2.81 2.77 0.00 0.00 6.74 7.88 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 57 N 7.76 4.72 0.00 2.80 2.77 0.00 0.00 7.14 8.50 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 58 A 8.35 3.85 1.26 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 0.00 0.00 59 K 7.94 3.70 0.00 1.48 0.74 0.00 1.46 0.00 0.00 1.51 0.00 0.00 3.14 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.11 1.16 7.81 60 V 7.85 3.52 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 0.79 0.00 0.00 0.99 0.00 0.00 61 K 8.01 3.79 0.00 1.77 1.85 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.56 7.81 62 A 7.92 4.00 1.27 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 0.00 0.00 0.00 63 H 8.62 4.39 0.00 3.36 3.54 0.00 5.80 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 8.31 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 65 K 7.73 4.01 0.00 1.97 1.88 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.68 7.81 66 K 8.00 4.20 0.00 2.02 1.95 0.00 1.82 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.59 1.55 7.81 67 V 7.85 3.64 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 1.12 0.00 0.00 0.96 0.00 0.00 68 L 7.89 4.32 0.00 2.05 1.84 1.26 1.30 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 69 D 9.14 4.38 0.00 2.80 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 70 S 8.51 4.51 0.00 4.12 4.31 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 0.00 0.00 0.00 0.00 71 F 8.37 3.87 0.00 3.41 3.37 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 72 S 9.54 4.43 0.00 4.28 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 73 N 8.51 4.38 0.00 2.86 2.98 0.00 0.00 7.24 8.09 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 74 G 7.88 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 M 7.93 3.96 0.00 1.68 2.01 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.15 0.00 76 K 7.93 3.97 0.00 1.87 1.70 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.58 7.81 77 H 7.85 4.89 0.00 3.06 3.19 0.00 5.61 0.00 0.00 0.00 0.00 8.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.65 4.58 0.00 1.76 1.58 0.78 1.11 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 79 D 8.41 4.77 0.00 2.60 2.60 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 0.00 0.00 0.00 80 D 7.71 4.88 0.00 2.68 2.47 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 81 L 7.89 4.29 0.00 1.71 1.81 0.85 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.20 4.25 0.00 1.77 1.75 0.00 1.65 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.43 7.81 83 G 8.95 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 84 T 8.01 3.20 3.81 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 0.00 0.00 1.02 0.00 0.00 85 F 9.01 4.32 0.00 3.17 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 86 A 7.61 3.76 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 87 Q 7.73 4.14 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 88 L 8.60 4.65 0.00 2.09 1.79 1.14 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.39 4.03 0.00 3.93 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.47 3.82 0.00 2.01 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 2.31 2.34 0.00 91 L 7.88 3.96 0.00 1.83 1.93 0.94 1.05 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 92 H 8.36 4.36 0.00 3.61 3.75 0.00 5.85 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 8.53 4.33 0.00 2.59 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 0.00 0.00 0.00 94 D 7.71 4.58 0.00 2.57 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 95 K 7.98 4.58 0.00 1.58 1.96 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.41 7.81 96 L 7.50 4.63 0.00 1.84 1.89 0.79 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 97 H 8.08 4.87 0.00 3.44 3.54 0.00 5.75 0.00 0.00 0.00 0.00 8.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.43 3.63 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 0.05 0.00 0.00 0.61 0.00 0.00 99 D 8.59 4.50 0.00 2.73 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 4.74 0.00 2.15 2.22 0.00 3.43 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 101 E 7.98 4.12 0.00 2.08 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 2.26 2.37 0.00 102 N 7.83 4.42 0.00 2.47 2.59 0.00 0.00 6.84 8.25 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 0.00 103 F 7.74 4.31 0.00 3.11 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 0.00 104 K 8.21 3.99 0.00 2.00 1.90 0.00 1.89 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.59 1.61 7.81 105 L 7.76 4.03 0.00 1.82 1.77 0.12 -0.01 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 0.00 106 L 8.16 3.66 0.00 1.91 1.77 0.97 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.35 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 0.00 0.00 0.00 108 N 8.60 4.51 0.00 2.99 2.98 0.00 0.00 6.53 7.22 0.00 0.00 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 8.71 3.59 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 0.99 0.00 0.00 1.01 0.00 0.00 110 L 7.54 3.85 0.00 1.83 1.60 0.59 0.79 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 0.00 111 V 7.42 3.63 2.35 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 1.26 0.00 0.00 1.21 0.00 0.00 112 V 7.43 3.59 2.24 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 0.84 0.00 0.00 0.97 0.00 0.00 113 V 7.82 3.70 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 1.03 0.00 0.00 0.93 0.00 0.00 114 L 8.19 3.74 0.00 1.05 0.40 0.74 0.84 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 0.00 115 A 8.07 4.03 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 0.00 116 R 7.59 4.20 0.00 1.90 1.94 0.00 3.19 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 117 H 7.85 4.37 0.00 3.05 3.12 0.00 5.91 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 H 8.61 4.81 0.00 3.18 3.38 0.00 5.95 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 0.00 119 G 8.75 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 120 S 9.33 4.15 0.00 3.99 4.04 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 0.00 0.00 0.00 121 E 8.27 4.14 0.00 2.27 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 0.00 2.34 2.43 0.00 122 F 7.95 4.44 0.00 2.75 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 0.00 123 T 7.31 4.08 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 1.21 0.00 0.00 124 P 0.00 4.17 0.00 2.12 2.10 0.00 3.52 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 125 L 7.66 3.87 0.00 1.66 1.60 0.91 0.69 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 0.00 126 L 7.37 4.01 0.00 1.32 1.39 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 7.85 3.58 0.00 1.52 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 128 A 7.44 4.04 1.38 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 0.00 0.00 129 E 8.51 4.03 0.00 2.40 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 0.00 2.36 2.41 0.00 130 F 9.08 3.75 0.00 3.39 3.42 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 0.00 131 Q 9.32 4.30 0.00 2.40 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 132 K 8.96 4.00 0.00 1.79 1.85 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.60 7.81 133 V 8.02 3.38 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 0.88 0.00 0.00 0.70 0.00 0.00 134 V 8.82 3.77 2.34 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 1.25 0.00 0.00 1.08 0.00 0.00 135 A 7.79 4.14 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.84 3.51 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 0.00 0.00 0.00 137 V 7.50 2.89 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 0.43 0.00 0.00 0.23 0.00 0.00 138 A 8.77 3.93 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.30 4.37 0.00 2.86 2.87 0.00 0.00 6.77 7.43 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 0.00 140 A 7.54 4.08 1.26 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 0.00 0.00 141 L 6.93 3.83 0.00 0.55 0.41 0.60 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.42 4.11 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 8.80 3.30 0.00 3.24 3.15 0.00 5.80 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 0.00 144 R 8.19 3.32 0.00 1.94 1.66 0.00 3.63 0.00 0.00 3.14 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 145 Y 7.74 4.32 0.00 2.89 2.98 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 0.00 146 H 8.62 4.53 0.00 3.10 3.19 0.00 5.69 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