NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2695 8.1576 121.7842 55.9478 34.3769 177.7392 3 P 4.2787 0.0000 0.0000 64.4861 31.1407 176.7081 4 L 3.9382 8.6119 120.9894 57.7366 42.5385 180.1066 5 K 4.0165 7.9763 118.0068 59.3338 31.4380 178.9563 6 E 3.9801 7.9173 119.1833 58.8855 29.3484 179.3833 7 V 3.3915 7.3647 118.0477 66.0377 31.5668 178.3712 8 V 3.7365 7.7178 117.7265 65.7555 31.3870 178.0618 9 G 3.6653 8.2347 105.3922 47.8231 0.0000 175.5471 10 A 4.1198 8.1672 123.2166 55.1101 18.4066 179.2315 11 Y 4.0807 8.2906 115.3296 61.4721 37.9827 179.1301 12 L 4.1047 8.5127 119.7964 57.6051 41.6804 179.4119 13 A 4.0370 8.1288 120.8612 55.0871 18.3479 179.4980 14 L 3.9207 8.1735 118.9054 58.3225 42.2214 179.3332 15 S 4.1586 8.3498 115.2549 61.6389 62.7877 176.3289 16 D 4.3519 8.3547 121.3839 57.3429 40.5088 178.6530 17 A 4.2667 7.9039 122.4718 54.8501 18.2641 179.7194 18 Q 3.9501 8.2211 116.4257 59.2297 28.7396 179.3420 19 R 3.9685 8.0355 119.0227 59.2287 30.0019 179.1090 20 Q 4.0073 8.2473 118.0209 58.6379 28.7101 178.6698 21 L 4.1646 8.2299 120.4456 57.9180 41.5045 179.6673 22 V 3.6143 7.3574 116.7138 65.8339 31.5649 177.2619 23 A 4.2205 7.7350 118.0436 52.3206 18.4826 178.2072 24 G 3.1125 7.3730 105.0815 46.0013 0.0000 175.6651 25 E 4.2014 7.5995 121.8611 55.0941 26.3127 176.4730 26 Y 4.3784 7.2924 120.3150 60.8804 38.6090 177.4722 27 D 4.4039 8.1804 119.4769 57.6203 40.9854 178.6538 28 E 3.9978 8.1673 118.2168 59.2501 29.5655 179.0704 29 A 4.1046 8.2034 120.6684 55.0307 18.4502 179.5178 30 A 3.9368 8.3547 119.2096 55.2931 18.4518 179.6345 31 A 3.9495 7.8325 118.7516 55.6055 18.3895 179.7045 32 N 4.3328 8.4321 114.9634 56.4630 38.3185 177.5777 33 C 4.1188 7.9745 117.6038 62.8694 28.3045 176.0100 34 R 4.0692 7.7504 118.5565 59.2157 29.9419 178.7706 35 R 4.0975 8.3271 118.4985 59.1549 30.0314 178.6665 36 A 3.9506 8.1019 116.7945 53.2060 17.6346 178.4482 *38 E 4.2584 8.0838 122.7819 57.6637 31.7353 178.2319 39 I 3.6370 7.9334 119.6174 64.3151 37.3416 178.4978 40 S 3.7092 7.9689 113.8357 61.4346 62.6802 174.7952 41 H 4.6126 7.6256 115.3483 56.2509 28.7850 176.3879 42 T 4.2119 7.3465 112.8610 59.2179 67.2598 172.1735 *44 P 4.2180 0.0000 0.0000 62.3356 32.8789 176.9190 45 P 4.2181 0.0000 0.0000 66.4434 31.3737 177.8366 46 E 4.1825 8.0995 112.2818 56.4200 29.8330 179.4875 47 E 4.3722 7.7104 120.2613 55.3127 30.4263 175.5741 48 A 4.1314 8.5985 129.7888 52.5033 18.8303 176.2351 49 F 4.5478 8.2463 122.0263 56.5148 41.9942 174.5180 50 D 4.5252 7.2259 127.3238 53.1404 38.9154 176.3565 51 H 4.3485 8.3471 121.3034 58.2119 29.3022 176.5817 52 A 3.9318 7.9987 122.1410 55.1553 18.3084 179.8223 53 G 2.4490 7.6728 105.3387 46.7688 0.0000 175.6918 54 F 3.7094 7.8419 123.3897 61.0180 39.3475 176.9557 55 D 4.2085 8.3394 118.6429 57.1537 40.5485 178.6812 56 A 3.7444 7.1739 121.0758 55.0334 18.2391 179.7281 57 F 4.4987 7.4239 116.2875 60.9463 38.8757 177.7567 58 C 4.0130 7.7875 116.3255 63.1567 27.8401 175.9357 59 H 4.2582 8.4516 117.9064 58.5633 28.2038 177.8424 60 A 4.2005 8.4019 122.8999 55.1903 18.3393 179.8756 61 G 3.5964 8.1783 104.3062 47.8972 0.0000 175.5999 62 L 3.9881 8.4010 123.0872 57.7612 42.0451 178.8770 63 A 4.0043 8.2802 120.8816 55.1554 18.3557 179.1994 64 E 3.9354 8.4976 118.8855 58.7438 29.7173 178.9171 65 A 3.9232 8.0490 120.7219 55.3052 18.4669 179.6919 66 L 3.8747 8.2743 117.6491 57.6909 41.6285 179.6745 67 A 4.0092 8.2470 121.2095 55.0342 18.1021 179.8587 68 G 2.7951 7.4229 103.1935 47.3985 0.0000 175.0813 69 L 4.2292 7.3038 118.1575 54.1518 41.9076 177.1822 70 R 2.5100 7.1729 116.7955 57.2332 28.3892 177.9906 71 S 4.3476 7.2526 113.5200 57.1193 59.2340 173.6582 72 F 4.4288 7.4258 124.6532 60.0909 39.1495 176.6314 73 D 4.4048 8.1774 118.1841 57.6966 40.7552 178.6288 74 E 4.0114 8.1908 118.1461 59.1732 29.3919 179.1546 75 A 3.9860 7.9876 120.8696 55.0572 18.4715 179.2961 76 L 3.8924 8.1974 119.0499 58.6913 42.2759 178.7249 77 H 4.1393 8.0898 117.8317 59.2639 29.8233 177.2339 78 S 4.0382 8.2221 114.7960 61.2596 62.1858 175.8921 79 A 4.0667 8.3255 123.8093 55.3942 18.1504 179.2990 80 D 4.3325 8.2802 117.3685 57.5305 40.4195 179.2510 81 K 3.8964 7.9054 118.3279 59.2067 31.9595 179.3501 82 A 3.8214 7.9869 121.0742 55.2235 18.3205 179.7784 83 L 4.2264 8.4528 117.7286 57.9056 40.0490 179.0742 84 H 4.0632 8.3626 118.6660 59.2252 29.6682 176.7264 85 Y 3.8262 7.4382 120.9066 60.6804 38.7558 177.5584 86 F 3.7571 7.6972 118.5987 60.3640 38.5733 177.4575 87 N 4.4580 8.2159 117.9447 56.1668 38.3134 177.9465 88 R 4.1663 6.8617 120.5538 60.2015 29.9626 181.8549 89 R 4.5317 7.2160 115.7746 55.2392 30.7085 176.5378 90 G 3.4171 7.2607 107.3518 44.9994 0.0000 174.0130 91 E 4.7270 9.5070 121.8392 53.9801 31.3939 176.7566 92 L 4.0860 8.9889 127.2595 58.0569 42.3686 177.8173 93 N 4.9061 8.1955 113.4400 53.1897 38.5721 174.2353 94 Q 4.7475 7.5917 118.0528 53.6594 31.8609 176.2494 95 D 4.3587 8.7877 118.5741 57.9042 41.3482 178.8796 96 E 4.0279 8.6466 118.9082 59.7463 29.3994 179.0702 97 G 4.0871 8.4271 106.9977 47.1763 0.0000 175.7244 98 K 3.9871 8.1890 120.5663 59.4202 32.0151 179.4142 99 L 4.0832 7.8329 118.8078 57.0423 41.4839 179.2858 100 W 3.2270 7.5293 127.9907 60.3233 30.6423 177.7851 101 I 3.5723 7.6812 119.6653 64.3737 36.4843 178.2524 102 S 4.1360 8.1176 113.6379 61.5162 62.2336 176.1217 103 A 4.1452 8.3000 123.4266 55.2462 18.1445 179.8113 104 V 3.6045 8.0167 116.8415 66.1952 31.5403 177.6914 105 Y 4.0845 8.3127 119.4259 60.8832 38.5966 178.0998 106 S 4.0320 8.6382 116.5599 61.5534 62.8206 176.6965 107 R 3.9167 8.1873 121.1869 59.2076 29.8198 178.4448 108 A 3.4474 7.6691 120.4813 54.9913 18.1315 179.6174 109 L 3.8326 7.5949 117.3577 57.6723 41.5898 179.7620 110 A 3.9576 8.0997 120.8575 55.1666 18.3194 179.6362 111 L 3.8415 7.9353 117.7939 57.9163 41.6621 179.3618 112 D 4.3189 8.0944 118.0593 57.3087 41.0011 178.5711 113 G 2.5032 7.4066 105.0940 46.8219 0.0000 174.6434 114 L 4.4410 7.3119 118.6087 54.3078 41.8804 177.4998 115 G 3.8302 7.7329 107.1792 46.0418 0.0000 175.4178 116 R 4.4495 7.8800 120.2874 54.6132 28.8596 177.6746 117 G 3.5934 7.8209 108.0964 48.3681 0.0000 173.3609 118 A 4.1191 8.0537 121.9733 54.7990 17.9694 178.1621 119 E 4.2296 8.0885 114.2792 58.3554 30.4053 178.0204 120 A 4.2203 7.6483 122.3925 51.5839 18.0617 177.4503 *122 P 4.4084 0.0000 0.0000 64.3284 33.6276 178.5872 123 E 3.9457 7.6529 119.2883 59.2229 29.1119 179.1247 124 F 4.3697 8.1778 117.9162 60.4775 38.9087 177.8226 125 K 4.0279 8.1708 117.7082 59.4380 31.7153 179.0885 126 K 4.1456 7.7911 120.0633 58.7643 32.1035 178.6950 127 V 3.6988 7.6144 117.9137 65.9694 31.7911 177.8879 128 V 3.7862 7.5620 118.0155 65.9187 31.1785 178.6826 129 E 3.7438 8.0958 115.4593 57.1161 28.2695 178.8997 *131 I 4.1097 7.7302 122.0439 61.5511 39.2806 177.9934 132 E 3.9393 8.1292 118.6159 59.4568 29.4527 178.0704 133 E 3.9351 8.0816 118.1823 58.8735 29.7892 177.3848 134 R 4.0690 7.1648 119.8217 56.1178 30.3151 175.6519 135 K 4.1943 8.5158 125.8478 55.9818 32.8518 176.2725 136 G 4.1427 9.1020 113.3953 44.0783 0.0000 174.0280 137 E 4.0124 8.6847 117.3118 56.4428 30.1272 178.3000 138 T 4.5159 8.0774 119.7145 59.3425 69.2638 170.7233 139 P 4.1824 0.0000 0.0000 64.0617 32.3123 177.0981 140 G 3.9193 8.9421 109.7970 45.4172 0.0000 175.2693 141 K 3.9632 7.6287 120.1789 59.6866 32.7922 178.5000 142 E 3.9883 8.1473 118.1441 59.2603 30.3576 177.6542 143 R 4.0774 7.2509 118.7137 56.5871 28.4153 176.0183 *146 E 4.2111 7.9484 122.6692 56.2039 32.1979 177.6246 147 V 3.5304 7.8308 117.2229 65.9090 31.5667 177.6660 148 A 3.4318 8.0468 119.9476 55.2831 18.3792 179.3502 149 I 3.6478 7.5917 116.4592 64.1289 38.2889 177.6897 150 D 4.3024 8.0905 119.9134 57.3041 40.6482 178.9858 151 R 3.8645 7.8824 118.7217 59.0552 30.0057 179.0349 152 I 3.6356 7.5815 119.3577 64.3833 36.9194 177.9862 153 A 3.9848 7.4904 119.7314 55.7297 18.2087 179.4957 154 Q 4.0758 7.4380 113.6731 58.8630 28.8690 178.4745 155 L 4.2373 7.8006 119.4623 56.5494 41.7024 176.3866 156 G 3.6487 8.8577 112.7768 43.4628 0.0000 172.9788 157 A 4.0109 7.5160 129.1279 51.7795 18.5349 177.3774 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 2 K 8.16 4.27 0.00 1.88 1.84 0.00 1.81 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.01 7.81 3 P 0.00 4.28 0.00 2.63 2.25 0.00 3.89 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 2.04 1.91 0.00 4 L 8.61 3.94 0.00 1.75 1.67 0.88 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 5 K 7.98 4.02 0.00 1.95 1.83 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.51 7.81 6 E 7.92 3.98 0.00 2.02 1.85 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 2.27 2.34 0.00 7 V 7.36 3.39 2.17 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 0.96 0.00 0.00 0.90 0.00 0.00 8 V 7.72 3.74 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 1.05 0.00 0.00 0.88 0.00 0.00 9 G 8.23 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 10 A 8.17 4.12 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 11 Y 8.29 4.08 0.00 3.35 3.17 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 12 L 8.51 4.10 0.00 1.75 1.78 0.96 1.00 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 13 A 8.13 4.04 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 14 L 8.17 3.92 0.00 1.79 1.86 0.77 0.61 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 15 S 8.35 4.16 0.00 3.97 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 16 D 8.35 4.35 0.00 2.88 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 17 A 7.90 4.27 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 18 Q 8.22 3.95 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 19 R 8.04 3.97 0.00 1.89 1.97 0.00 3.13 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 20 Q 8.25 4.01 0.00 2.27 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 21 L 8.23 4.16 0.00 1.91 1.84 1.03 1.35 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 22 V 7.36 3.61 2.22 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 0.80 0.00 0.00 1.00 0.00 0.00 23 A 7.73 4.22 1.25 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 0.00 0.00 0.00 24 G 7.37 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 0.00 0.00 0.00 25 E 7.60 4.20 0.00 1.94 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 2.21 2.23 0.00 26 Y 7.29 4.38 0.00 3.02 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 27 D 8.18 4.40 0.00 2.70 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 28 E 8.17 4.00 0.00 2.20 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 0.00 2.40 2.44 0.00 29 A 8.20 4.10 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 30 A 8.35 3.94 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 31 A 7.83 3.95 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 32 N 8.43 4.33 0.00 2.77 3.11 0.00 0.00 7.07 7.20 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 33 C 7.97 4.12 0.00 3.11 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 34 R 7.75 4.07 0.00 1.97 2.01 0.00 3.28 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 35 R 8.33 4.10 0.00 2.06 2.08 0.00 3.12 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 1.67 0.00 36 A 8.10 3.95 1.56 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 *38 E 8.08 4.26 0.00 2.16 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 2.27 1.91 0.00 39 I 7.93 3.64 2.03 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 1.35 0.74 0.93 0.00 0.00 40 S 7.97 3.71 0.00 3.63 4.08 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 0.00 0.00 0.00 41 H 7.63 4.61 0.00 2.99 3.37 0.00 5.83 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 42 T 7.35 4.21 4.22 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 0.00 0.00 0.00 1.29 0.00 0.00 *44 P 0.00 4.22 0.00 2.25 2.24 0.00 3.64 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 1.95 1.94 0.00 45 P 0.00 4.22 0.00 2.20 2.21 0.00 3.75 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 46 E 8.10 4.18 0.00 2.01 1.89 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 2.23 1.86 0.00 47 E 7.71 4.37 0.00 1.83 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 2.21 2.30 0.00 48 A 8.60 4.13 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 49 F 8.25 4.55 0.00 2.81 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 50 D 7.23 4.53 0.00 2.65 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 0.00 0.00 0.00 51 H 8.35 4.35 0.00 3.34 3.42 0.00 5.88 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 52 A 8.00 3.93 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 53 G 7.67 2.45 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 0.00 54 F 7.84 3.71 0.00 2.85 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 55 D 8.34 4.21 0.00 2.66 2.67 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 56 A 7.17 3.74 0.41 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 57 F 7.42 4.50 0.00 2.87 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 58 C 7.79 4.01 0.00 2.85 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 59 H 8.45 4.26 0.00 3.33 3.54 0.00 5.64 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 60 A 8.40 4.20 1.61 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 61 G 8.18 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 0.00 0.00 0.00 62 L 8.40 3.99 0.00 1.85 1.92 0.94 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.28 4.00 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 64 E 8.50 3.94 0.00 2.14 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 2.37 2.25 0.00 65 A 8.05 3.92 1.52 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 66 L 8.27 3.87 0.00 1.65 1.84 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.25 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 68 G 7.42 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 0.00 0.00 0.00 69 L 7.30 4.23 0.00 1.66 1.65 1.00 1.17 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 70 R 7.17 2.51 0.00 1.75 1.67 0.00 3.16 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.44 0.00 71 S 7.25 4.35 0.00 3.74 3.71 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 72 F 7.43 4.43 0.00 3.13 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 73 D 8.18 4.40 0.00 2.70 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 74 E 8.19 4.01 0.00 2.00 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 2.40 2.37 0.00 75 A 7.99 3.99 1.46 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 0.00 0.00 76 L 8.20 3.89 0.00 1.89 1.91 0.91 1.18 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 77 H 8.09 4.14 0.00 3.18 3.45 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.22 4.04 0.00 4.00 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 79 A 8.33 4.07 1.46 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 0.00 0.00 80 D 8.28 4.33 0.00 2.81 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 81 K 7.91 3.90 0.00 1.62 1.53 0.00 1.42 0.00 0.00 1.43 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.34 7.81 82 A 7.99 3.82 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 83 L 8.45 4.23 0.00 1.78 1.86 1.02 1.38 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 84 H 8.36 4.06 0.00 3.35 3.47 0.00 5.77 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 Y 7.44 3.83 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 86 F 7.70 3.76 0.00 2.53 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 87 N 8.22 4.46 0.00 2.71 2.90 0.00 0.00 6.89 8.37 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 88 R 6.86 4.17 0.00 1.95 1.82 0.00 3.21 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 89 R 7.22 4.53 0.00 0.75 1.60 0.00 3.12 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.22 0.00 90 G 7.26 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 0.00 0.00 0.00 91 E 9.51 4.73 0.00 2.29 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 2.20 2.07 0.00 92 L 8.99 4.09 0.00 1.62 1.68 0.60 0.42 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 93 N 8.20 4.91 0.00 2.78 2.83 0.00 0.00 6.75 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 94 Q 7.59 4.75 0.00 2.27 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.72 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 95 D 8.79 4.36 0.00 2.77 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 96 E 8.65 4.03 0.00 2.24 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 0.00 2.96 3.15 0.00 97 G 8.43 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 8.19 3.99 0.00 1.89 1.83 0.00 1.63 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.45 7.81 99 L 7.83 4.08 0.00 1.97 1.92 0.59 0.62 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 0.00 100 W 7.53 3.23 0.00 2.62 2.87 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 0.00 101 I 7.68 3.57 1.93 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.29 0.83 0.00 0.00 102 S 8.12 4.14 0.00 4.00 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 0.00 103 A 8.30 4.15 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 0.00 104 V 8.02 3.60 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 1.05 0.00 0.00 1.05 0.00 0.00 105 Y 8.31 4.08 0.00 3.15 3.16 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 0.00 106 S 8.64 4.03 0.00 4.06 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 0.00 107 R 8.19 3.92 0.00 1.97 2.05 0.00 3.12 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 108 A 7.67 3.45 0.13 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 0.00 109 L 7.59 3.83 0.00 1.71 1.68 0.73 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.10 3.96 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 0.00 111 L 7.94 3.84 0.00 1.67 1.81 0.91 1.22 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 0.00 112 D 8.09 4.32 0.00 3.00 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 0.00 113 G 7.41 2.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 L 7.31 4.44 0.00 1.60 1.70 1.02 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 115 G 7.73 3.83 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 0.00 0.00 0.00 116 R 7.88 4.45 0.00 1.97 1.98 0.00 3.12 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 117 G 7.82 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 0.00 118 A 8.05 4.12 1.29 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 0.00 119 E 8.09 4.23 0.00 2.14 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 2.35 2.28 0.00 120 A 7.65 4.22 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 *122 P 0.00 4.41 0.00 2.26 2.37 0.00 3.67 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.00 0.00 123 E 7.65 3.95 0.00 2.08 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 2.39 2.38 0.00 124 F 8.18 4.37 0.00 3.11 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 0.00 125 K 8.17 4.03 0.00 2.00 1.88 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.55 7.81 126 K 7.79 4.15 0.00 1.86 2.02 0.00 1.54 0.00 0.00 1.48 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.28 7.81 127 V 7.61 3.70 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 0.90 0.00 0.00 1.16 0.00 0.00 128 V 7.56 3.79 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 0.97 0.00 0.00 0.96 0.00 0.00 129 E 8.10 3.74 0.00 2.14 1.89 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 2.31 2.45 0.00 *131 I 7.73 4.11 1.96 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.91 0.86 0.00 0.00 132 E 8.13 3.94 0.00 2.13 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 2.32 2.22 0.00 133 E 8.08 3.94 0.00 2.02 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 2.26 2.20 0.00 134 R 7.16 4.07 0.00 1.91 1.76 0.00 3.28 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 135 K 8.52 4.19 0.00 1.82 1.72 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.36 7.81 136 G 9.10 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 0.00 0.00 0.00 137 E 8.68 4.01 0.00 2.00 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 2.23 1.91 0.00 138 T 8.08 4.52 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 1.14 0.00 0.00 139 P 0.00 4.18 0.00 2.01 1.98 0.00 3.69 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 2.08 0.00 140 G 8.94 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 0.00 141 K 7.63 3.96 0.00 1.76 2.03 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.37 7.81 142 E 8.15 3.99 0.00 1.93 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 2.29 2.33 0.00 143 R 7.25 4.08 0.00 1.93 1.98 0.00 3.13 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 *146 E 7.95 4.21 0.00 2.05 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 2.26 2.29 0.00 147 V 7.83 3.53 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 1.05 0.00 0.00 1.11 0.00 0.00 148 A 8.05 3.43 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 0.00 149 I 7.59 3.65 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.17 0.95 0.00 0.00 150 D 8.09 4.30 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 0.00 151 R 7.88 3.86 0.00 1.02 1.56 0.00 3.31 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.40 0.00 152 I 7.58 3.64 1.87 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.99 0.91 0.00 0.00 153 A 7.49 3.98 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 0.00 154 Q 7.44 4.08 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.97 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 155 L 7.80 4.24 0.00 1.64 1.74 1.07 0.78 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 0.00 156 G 8.86 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 0.00 157 A 7.52 4.01 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 * Residues marked with a * may have inaccurate shift predictions.