NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 D 4.6915 8.3229 119.5613 53.3783 42.6200 177.9783 8 N 4.2618 8.2203 120.4344 55.4662 37.3036 173.9663 9 V 3.8346 7.6144 121.7091 64.8326 32.0395 178.5111 10 V 3.6813 7.9149 122.2062 64.2061 31.4350 178.7435 11 K 3.9504 8.0008 124.8079 59.9833 31.4930 182.9987 12 D 4.5524 8.2095 120.0747 57.2342 40.7891 179.1675 13 K 4.0489 8.3560 119.4687 59.4820 32.0594 179.6009 14 S 4.2713 8.3255 114.6955 61.1451 63.0183 176.4208 15 L 4.0797 7.9479 123.7579 58.0382 41.8902 178.6522 16 E 4.0076 8.5990 119.0157 59.4909 29.3129 179.2079 17 F 4.1503 8.7909 120.8295 61.1160 39.3848 176.8712 18 A 3.8803 8.3384 120.6249 55.1952 18.0989 179.6942 19 V 3.4873 7.8255 116.5107 66.3353 31.5251 178.4614 20 R 3.8513 7.8349 117.6703 59.2890 29.8487 179.1557 21 I 3.5131 7.6228 119.8179 64.1470 36.9607 178.5776 22 V 3.6286 7.8995 119.2343 66.1933 31.3669 177.8470 23 N 4.3934 8.3662 116.2901 56.1698 38.2947 177.2055 24 L 4.0210 8.2408 122.0532 58.1765 42.1650 178.2129 25 Y 4.0320 8.5146 119.9177 60.7749 38.6341 178.3340 26 K 3.7502 8.5290 119.6383 59.3342 32.1385 178.9267 27 F 4.0761 8.2248 120.7930 61.3918 39.2036 177.2248 28 L 3.5343 7.9482 118.4510 57.6725 41.1395 179.9639 29 V 3.0748 7.3297 112.2732 64.1251 31.3449 178.4344 30 N 4.3197 8.0562 115.4587 55.1343 38.4906 175.7655 31 E 4.2790 7.5378 117.6526 58.1498 30.7805 177.5642 32 Q 3.9249 7.1773 114.6035 56.2098 29.3982 175.9448 33 K 3.3695 7.3243 115.3989 56.2923 29.4305 175.0124 34 E 4.0165 7.4399 118.6330 54.3533 30.9314 175.0446 35 F 4.8420 8.3323 122.4198 56.4255 40.7228 175.7960 36 V 4.0666 7.8845 120.4440 63.0015 31.9520 177.0025 *38 S 4.3717 7.9617 113.5803 58.9311 64.8198 176.2702 39 K 4.0838 7.8403 120.4717 58.7175 31.7287 179.3349 40 Q 3.6311 7.4499 117.9350 58.9214 28.4836 178.7079 41 I 3.8529 7.0565 120.3323 62.9971 38.0713 177.2550 42 L 3.8003 8.0589 121.8400 58.1209 41.8155 179.0020 43 R 3.8024 7.7537 118.4417 59.5034 30.2080 178.6357 44 S 4.5345 7.6400 115.5668 61.0765 62.8603 176.6335 45 G 3.8780 8.5543 109.0559 46.8066 0.0000 175.1545 46 T 4.2893 7.8235 110.7133 63.5285 69.3284 176.9256 47 S 4.3466 8.0926 117.7798 60.4589 62.8582 176.2670 48 I 3.8170 7.4947 122.2353 64.5521 36.8978 178.5507 49 G 3.6633 8.1710 105.6413 46.8149 0.0000 175.2792 50 A 4.0175 7.6947 121.8769 55.3880 18.3981 179.5871 51 N 4.3450 8.3072 114.8344 56.3139 38.5465 177.7994 52 I 3.6694 7.8313 121.4057 64.3946 36.9723 178.4456 53 R 3.9169 7.9942 118.5681 59.2104 30.0365 177.8275 54 E 4.0605 8.2636 119.0586 59.1644 29.6595 178.4189 55 A 4.0348 8.3616 121.2542 55.4771 18.1710 179.1395 56 E 4.1388 8.4161 118.8033 59.7512 29.7542 178.7571 57 Q 4.4057 7.5737 117.3376 55.9326 28.9803 178.4371 58 A 4.4320 7.5052 125.3234 54.4576 18.8921 178.5586 59 Q 4.4112 8.5778 118.3084 55.5680 29.2813 175.8191 60 S 4.9157 7.6846 112.7301 57.1564 67.6362 175.6817 61 R 4.0301 8.4416 123.0067 61.4718 29.1337 178.4432 62 A 4.2165 7.9989 121.2253 54.9837 18.3405 179.1137 63 D 4.2435 7.9498 116.6623 57.3869 41.3595 177.8720 64 F 4.1868 8.3002 121.1321 61.8235 39.2941 177.2189 65 I 3.5254 8.2418 119.3134 64.2156 37.0041 178.0072 66 N 4.2503 8.4605 118.2238 56.6781 38.7541 177.1761 67 K 3.9950 8.2719 120.1080 59.3729 32.1885 179.4380 68 L 3.8515 7.7807 119.2454 57.6825 41.3896 179.3333 69 N 4.3422 8.3156 116.8156 56.2087 38.3416 177.5312 70 I 3.6937 7.6128 120.7401 64.1167 37.0791 178.1713 71 A 3.9689 8.1079 121.7827 55.2347 18.2062 179.4730 72 L 3.8361 7.9676 118.7249 57.9973 42.0175 179.1172 73 K 3.9231 8.2149 119.7406 59.5828 31.9941 178.6687 74 E 3.9962 8.6332 119.0505 59.2816 29.2398 179.2622 75 A 4.1220 8.3453 121.1724 55.3215 18.3842 179.4991 76 N 4.2937 8.3513 115.0887 56.2911 38.5535 177.2886 77 E 3.9277 8.5367 121.0791 59.5634 29.3509 179.0278 78 T 4.1836 8.4078 116.0552 66.9027 68.5719 176.5131 79 E 4.0638 8.6118 120.7010 59.3413 29.4374 178.7813 80 Y 4.0787 8.3452 119.8809 60.6469 38.7975 178.2520 81 W 4.2666 8.1966 119.7980 59.7798 29.1558 178.5066 82 L 4.1788 8.3837 119.0266 57.8466 41.0489 179.3426 83 E 4.1546 8.4988 118.5788 59.5881 29.3956 179.4879 84 L 3.9734 7.8860 118.9020 57.7438 41.6777 179.6068 85 L 4.1987 8.4691 119.4122 57.6663 41.5645 179.2994 86 I 3.8272 8.0534 118.7215 63.8722 37.7159 178.0411 87 R 3.9367 7.9463 118.5010 59.0851 29.9965 178.1861 88 T 4.2359 7.9421 106.4925 61.1858 69.1857 174.7275 89 E 3.8094 7.8455 119.6377 57.8567 27.4665 175.2134 90 Y 4.2728 7.9756 119.1484 59.6550 38.2299 175.8549 91 I 4.9188 7.5864 111.4380 58.5683 40.7108 175.5867 92 T 4.3259 8.6825 112.7273 60.8864 71.1555 175.7292 93 R 3.8894 8.4823 121.1297 59.8037 29.9756 178.3289 94 E 4.0012 8.1607 117.6789 59.5276 29.5366 179.1995 95 Q 3.9606 8.2281 118.0117 59.0622 28.7378 178.1591 96 Y 4.0880 8.3173 120.6979 60.9256 38.7820 178.1232 97 E 3.9631 8.8565 119.8947 59.3353 29.4273 179.3151 98 S 4.0738 8.1600 113.1783 61.5072 62.4890 176.3795 99 I 3.8462 7.7822 122.5281 64.4073 36.8320 177.9546 100 N 4.2069 8.2114 118.0599 56.5848 38.7706 176.5752 101 N 4.3073 8.3970 118.2262 56.5329 38.7625 177.1237 102 D 4.3733 7.9401 120.3553 57.2180 40.8415 178.7152 103 S 3.4287 8.1500 113.7358 61.4536 62.3249 176.2976 104 T 3.7682 8.1526 118.8178 66.5498 68.1601 176.1146 105 E 3.8717 7.9273 120.6158 59.3711 29.5840 179.0041 106 I 3.6121 7.4191 119.2748 64.2945 37.0381 177.9480 107 N 4.2218 8.2489 117.6644 56.4808 38.3529 177.5367 108 K 3.9325 8.1373 119.5967 59.3380 32.0812 179.4414 109 L 3.9555 7.8545 119.1899 57.7458 41.4970 179.5106 110 L 3.9295 8.1265 119.1467 57.9517 41.3673 179.6880 111 I 3.5826 7.6965 118.4899 64.3205 37.0853 178.0266 112 S 4.2441 8.0061 113.0102 61.5413 62.2831 176.1207 113 I 3.9424 7.6746 121.0865 64.3989 37.0072 176.7366 114 I 4.0535 8.3128 124.6620 61.5862 37.0800 175.7990 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 7 D 8.32 4.69 0.00 2.62 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 8 N 8.22 4.26 0.00 2.80 2.87 0.00 0.00 6.51 6.79 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 9 V 7.61 3.83 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 0.90 0.00 0.00 0.93 0.00 0.00 10 V 7.91 3.68 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 0.89 0.00 0.00 0.90 0.00 0.00 11 K 8.00 3.95 0.00 1.81 1.87 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.36 7.81 12 D 8.21 4.55 0.00 2.84 2.76 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 13 K 8.36 4.05 0.00 1.86 1.87 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.58 7.81 14 S 8.33 4.27 0.00 4.10 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 15 L 7.95 4.08 0.00 1.85 1.89 0.93 0.86 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 16 E 8.60 4.01 0.00 2.22 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 17 F 8.79 4.15 0.00 3.18 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 18 A 8.34 3.88 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 19 V 7.83 3.49 2.26 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 1.09 0.00 0.00 0.96 0.00 0.00 20 R 7.83 3.85 0.00 1.82 1.83 0.00 3.21 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 21 I 7.62 3.51 1.78 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.31 0.86 0.00 0.00 22 V 7.90 3.63 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 1.14 0.00 0.00 0.95 0.00 0.00 23 N 8.37 4.39 0.00 2.92 2.86 0.00 0.00 6.70 6.36 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 24 L 8.24 4.02 0.00 1.74 1.85 1.01 1.12 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 25 Y 8.51 4.03 0.00 3.03 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 26 K 8.53 3.75 0.00 2.04 1.86 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.78 7.81 27 F 8.22 4.08 0.00 3.13 3.25 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 28 L 7.95 3.53 0.00 1.62 1.36 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.33 3.07 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 0.27 0.00 0.00 0.52 0.00 0.00 30 N 8.06 4.32 0.00 2.68 2.81 0.00 0.00 6.98 7.56 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 31 E 7.54 4.28 0.00 1.23 1.76 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 2.13 2.49 0.00 32 Q 7.18 3.92 0.00 1.90 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.87 0.00 0.00 0.00 0.00 0.00 1.73 2.44 0.00 33 K 7.32 3.37 0.00 1.75 1.80 0.00 1.81 0.00 0.00 0.61 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.29 7.81 34 E 7.44 4.02 0.00 1.16 1.18 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 1.47 1.47 0.00 35 F 8.33 4.84 0.00 3.00 2.90 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 36 V 7.88 4.07 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 0.97 0.00 0.00 0.96 0.00 0.00 *38 S 7.96 4.37 0.00 4.02 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 39 K 7.84 4.08 0.00 1.89 1.84 0.00 1.75 0.00 0.00 1.84 0.00 0.00 3.13 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.67 1.78 7.81 40 Q 7.45 3.63 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.08 1.42 0.00 41 I 7.06 3.85 1.89 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 2.07 0.94 0.00 0.00 42 L 8.06 3.80 0.00 1.64 1.62 0.67 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 43 R 7.75 3.80 0.00 1.88 2.01 0.00 3.16 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 1.63 1.61 0.00 44 S 7.64 4.53 0.00 4.43 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 45 G 8.55 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 T 7.82 4.29 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 1.19 0.00 0.00 47 S 8.09 4.35 0.00 4.13 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 48 I 7.49 3.82 1.99 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.10 0.89 0.00 0.00 49 G 8.17 3.66 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 0.00 0.00 0.00 50 A 7.69 4.02 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 51 N 8.31 4.35 0.00 2.84 3.03 0.00 0.00 7.09 6.75 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 52 I 7.83 3.67 2.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.68 0.92 0.00 0.00 53 R 7.99 3.92 0.00 1.90 1.97 0.00 3.28 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 54 E 8.26 4.06 0.00 2.27 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 0.00 2.32 2.34 0.00 55 A 8.36 4.03 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 56 E 8.42 4.14 0.00 2.32 2.27 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 2.32 2.21 0.00 57 Q 7.57 4.41 0.00 2.14 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.61 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 58 A 7.51 4.43 1.54 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 0.00 0.00 59 Q 8.58 4.41 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.22 1.90 0.00 60 S 7.68 4.92 0.00 3.99 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 61 R 8.44 4.03 0.00 1.84 1.97 0.00 3.25 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 62 A 8.00 4.22 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.95 4.24 0.00 2.80 2.90 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 64 F 8.30 4.19 0.00 3.23 3.31 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 65 I 8.24 3.53 1.90 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.79 0.95 0.00 0.00 66 N 8.46 4.25 0.00 2.88 3.00 0.00 0.00 7.21 6.73 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 67 K 8.27 4.00 0.00 1.71 1.94 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.70 1.62 7.81 68 L 7.78 3.85 0.00 1.39 1.50 0.15 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.32 4.34 0.00 2.94 2.83 0.00 0.00 6.94 7.63 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 70 I 7.61 3.69 2.07 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 1.44 0.83 0.97 0.00 0.00 71 A 8.11 3.97 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 72 L 7.97 3.84 0.00 1.93 1.79 0.87 0.29 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 73 K 8.21 3.92 0.00 1.94 1.98 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.43 1.35 7.81 74 E 8.63 4.00 0.00 2.17 2.26 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 2.53 2.50 0.00 75 A 8.35 4.12 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.35 4.29 0.00 2.74 2.86 0.00 0.00 6.69 7.27 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 77 E 8.54 3.93 0.00 2.07 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 2.70 2.45 0.00 78 T 8.41 4.18 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 79 E 8.61 4.06 0.00 2.19 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 2.34 2.54 0.00 80 Y 8.35 4.08 0.00 2.95 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 81 W 8.20 4.27 0.00 3.53 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 82 L 8.38 4.18 0.00 2.00 1.90 0.86 0.89 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 83 E 8.50 4.15 0.00 2.17 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 0.00 2.46 2.66 0.00 84 L 7.89 3.97 0.00 1.90 1.76 0.45 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.47 4.20 0.00 1.98 1.88 1.03 0.86 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 86 I 8.05 3.83 1.82 0.00 0.00 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 1.36 1.27 0.64 0.00 0.00 87 R 7.95 3.94 0.00 2.01 1.96 0.00 3.17 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 88 T 7.94 4.24 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 89 E 7.85 3.81 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.35 0.00 90 Y 7.98 4.27 0.00 3.09 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 91 I 7.59 4.92 2.03 0.00 0.00 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 1.67 0.80 1.09 0.00 0.00 92 T 8.68 4.33 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 93 R 8.48 3.89 0.00 1.88 1.99 0.00 3.18 0.00 0.00 3.47 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.80 0.00 94 E 8.16 4.00 0.00 2.08 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 0.00 2.40 2.47 0.00 95 Q 8.23 3.96 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 96 Y 8.32 4.09 0.00 3.08 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 97 E 8.86 3.96 0.00 2.13 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 2.49 2.68 0.00 98 S 8.16 4.07 0.00 3.96 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 7.78 3.85 1.86 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 1.57 0.73 1.03 0.00 0.00 100 N 8.21 4.21 0.00 2.25 2.57 0.00 0.00 7.24 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 0.00 101 N 8.40 4.31 0.00 2.93 2.85 0.00 0.00 7.00 8.93 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 0.00 102 D 7.94 4.37 0.00 3.05 2.92 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 0.00 103 S 8.15 3.43 0.00 3.74 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 0.00 104 T 8.15 3.77 4.35 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 0.00 0.00 0.00 1.18 0.00 0.00 105 E 7.93 3.87 0.00 2.02 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 2.27 2.33 0.00 106 I 7.42 3.61 1.69 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.48 0.78 0.00 0.00 107 N 8.25 4.22 0.00 2.79 2.83 0.00 0.00 7.06 8.33 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 0.00 108 K 8.14 3.93 0.00 1.91 1.84 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.62 7.81 109 L 7.85 3.96 0.00 1.84 1.70 0.90 0.66 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 0.00 110 L 8.13 3.93 0.00 1.75 1.65 0.85 0.73 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 0.00 111 I 7.70 3.58 1.93 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 1.38 0.48 0.90 0.00 0.00 112 S 8.01 4.24 0.00 4.00 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 0.00 113 I 7.67 3.94 2.00 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 1.60 0.81 1.12 0.00 0.00 114 I 8.31 4.05 1.89 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.43 0.89 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.