NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1328 8.1233 123.5506 51.8535 20.4906 175.9501 *2 F 4.8201 7.7447 116.8875 59.3305 40.9644 174.1569 3 T 4.8253 8.4512 116.5138 62.1990 71.4000 173.5118 4 T 4.4491 8.7729 123.0510 61.6972 72.0742 173.0091 5 V 4.4022 8.3089 126.7053 61.5196 33.0005 174.9887 6 I 4.4360 8.3666 127.9899 59.6815 40.9246 174.5846 7 T 4.7486 8.1418 122.6059 60.5602 69.1271 173.2238 8 P 4.8896 0.0000 0.0000 62.9263 32.3521 176.0299 9 R 4.9611 8.9738 119.1647 54.1173 33.3834 177.3487 10 V 2.9131 8.1689 120.4286 65.9672 31.4294 178.3241 11 S 4.2292 7.8963 111.7814 60.2327 63.0217 174.2783 12 E 4.2390 8.2354 120.7101 56.6429 29.6559 176.1470 13 T 4.7655 7.5643 110.3753 60.3493 70.7804 172.2990 14 D 4.8654 8.3646 120.0299 51.3178 42.3419 176.3284 15 G 3.6732 8.5918 106.9445 48.1432 0.0000 175.0384 16 V 3.5455 7.6240 119.2058 64.2734 31.5559 176.7726 17 G 4.1025 8.1074 106.4939 45.2431 0.0000 172.4557 18 H 4.9385 7.5475 114.5420 52.8391 31.3130 173.2729 19 I 4.0747 7.8913 120.2852 61.3682 37.4247 175.9817 20 N 4.5909 8.8153 124.3865 52.9119 39.6315 175.5474 21 N 4.1823 8.6182 122.5211 56.2800 35.4690 177.0187 22 T 4.1018 8.3730 111.1308 63.8905 68.9563 176.6982 23 T 3.8827 7.7211 119.4117 66.0229 68.3150 176.8173 24 V 3.1867 7.2826 120.1086 65.4941 31.5357 176.3596 25 P 4.7141 0.0000 0.0000 65.4558 31.1528 178.8353 26 V 3.6885 7.1387 116.0531 65.7916 31.5925 178.2077 27 W 4.4709 8.3781 119.1269 59.7847 28.6711 178.4649 28 F 4.7026 8.7514 118.2550 60.8986 38.1730 177.3619 29 E 4.1608 8.5879 117.5648 59.2685 29.6012 178.3897 30 A 4.3373 8.3763 121.1082 55.0395 18.2344 179.7184 31 G 3.6996 7.9155 102.6266 47.2767 0.0000 175.3065 32 R 3.9068 7.4551 118.9051 56.6764 30.1419 177.4915 33 H 3.9734 7.5646 119.6777 59.7424 29.5737 176.7806 34 E 3.7167 7.4935 117.5612 58.7650 29.5298 179.0767 35 I 3.8167 6.8336 119.7558 64.3401 37.2200 177.8651 36 F 4.2863 7.7099 118.8213 60.9460 38.5891 178.0557 37 K 4.1309 7.9351 117.7247 59.1668 31.5208 179.4716 38 L 3.9543 7.4531 118.4727 57.7990 41.6003 179.2293 39 F 4.2454 8.1243 116.1727 59.4980 40.1709 175.9928 40 T 4.5532 8.0570 115.9835 60.4305 69.5838 172.1331 41 P 4.3981 0.0000 0.0000 64.3932 31.3220 177.1022 42 D 4.6673 8.1134 114.4935 52.2413 39.7451 176.2541 43 L 3.8898 7.8569 118.3552 55.9308 39.9236 174.4644 44 S 4.2942 7.5655 113.3308 57.9164 63.0377 175.0435 45 F 4.4696 8.6330 125.7057 60.0084 39.1239 177.8068 46 K 4.1174 7.7840 118.4847 58.7027 31.8748 177.9000 47 R 4.7189 7.5116 116.2611 55.3653 30.5761 175.9305 48 W 4.2284 7.9224 127.6146 57.9294 31.8527 175.9290 49 R 5.0031 7.3163 120.3851 55.2288 29.8419 175.3317 *51 V 4.2193 7.4528 118.5061 62.7000 33.4247 175.0896 52 I 3.6029 8.2466 128.2930 60.7355 38.0199 175.1054 53 I 4.3944 8.7440 121.0710 61.3846 40.1360 174.5948 54 R 4.5335 7.3883 121.3441 55.0192 34.1349 172.9448 *56 E 4.4318 8.5697 116.9864 56.1717 31.2090 174.9723 57 V 4.8340 8.2726 120.8670 61.3347 34.7924 173.9205 58 D 4.8573 9.1431 128.2214 53.0331 42.7543 175.1691 59 Y 4.5299 8.7598 122.3244 57.4641 37.9810 175.3392 60 V 4.1415 8.8191 125.3282 64.4378 32.3990 175.9846 61 N 5.1523 7.8024 114.5796 51.1343 42.4266 175.3974 62 Q 4.0218 8.2873 119.1409 55.7437 29.9767 175.1679 *64 Y 4.4436 8.0233 114.8063 58.2036 39.0010 174.5672 65 Y 4.2890 8.6994 123.7849 59.1729 39.3453 176.1682 66 G 3.6736 8.4195 113.0584 45.2377 0.0000 173.4001 67 Q 4.4535 7.5308 119.4235 53.8516 31.9324 174.1568 68 D 4.6695 8.4712 123.6022 54.6181 42.3687 175.4446 69 V 4.5362 8.4139 113.4741 59.8614 35.6760 174.7892 70 T 4.6983 8.8347 119.7035 61.7215 71.6551 173.1375 71 V 4.6072 8.7252 126.8535 61.7470 33.4134 173.8845 72 Y 5.1885 8.8766 125.9057 56.7110 40.1178 174.9960 73 T 5.3121 8.8148 120.6350 62.0664 72.4123 173.5319 74 G 4.5955 9.8014 112.3980 45.1803 0.0000 171.2191 75 I 4.7721 9.0175 121.6096 60.3186 37.7976 176.7706 76 E 4.5925 9.7171 130.1394 58.4063 30.4995 176.6691 77 R 4.6769 7.7855 113.4857 55.1599 32.7991 174.4105 78 I 4.6067 8.5166 122.8654 59.7732 38.6431 175.4009 79 G 4.0901 8.8022 118.8214 44.7121 0.0000 171.7231 80 N 4.4383 8.8760 117.0289 56.5091 39.3530 177.7385 81 T 4.6284 7.8679 106.0670 61.4074 70.3599 173.3837 82 S 5.5224 7.7804 116.5102 56.6601 67.2896 172.5654 83 L 5.2363 8.8513 119.3241 54.6654 44.2136 174.9170 84 T 5.1027 9.0224 118.0679 62.1669 70.9108 173.3631 85 I 4.9283 9.1314 127.5675 59.8375 39.7101 173.9091 86 Y 5.1824 8.9670 128.2022 55.8597 41.2316 174.1307 87 E 5.3312 7.3817 122.6645 55.1558 33.5702 173.7958 88 E 5.4623 9.8236 120.3157 54.9889 34.7692 174.3681 89 I 5.2238 9.2861 122.6965 60.0509 40.7354 174.2318 90 H 5.5487 9.4929 124.1794 54.2214 31.9236 173.2763 91 Q 4.6328 8.7508 122.3925 54.9977 32.8477 174.2426 92 N 4.2236 9.8511 122.9590 54.8081 37.4119 174.6912 93 G 3.9882 8.6349 101.4253 45.2390 0.0000 173.9589 94 V 4.3732 7.6340 119.7687 60.0520 33.8089 175.2853 95 V 3.9448 8.4224 126.9225 62.3847 31.6109 175.3251 96 C 4.9477 9.5596 121.5719 59.8389 30.9058 173.4903 97 A 5.1581 7.8112 119.2120 50.5104 22.5094 175.1747 98 K 5.1005 9.1269 119.8159 54.7242 36.3169 175.7607 99 G 4.1000 8.7277 109.9844 44.5798 0.0000 171.3533 100 R 5.2828 8.5959 121.4076 54.3436 33.0555 174.5321 101 S 4.9809 9.3087 120.5678 56.4846 67.0134 172.8980 102 V 4.9228 8.9903 121.9631 61.6053 33.7434 173.9935 103 Y 5.1289 8.9174 125.1393 56.3744 41.1854 175.1354 104 V 4.9807 8.7223 114.7972 59.4394 35.0760 175.1765 105 N 4.6777 9.1547 123.1117 53.5283 39.7426 173.5151 106 F 5.0245 9.1600 129.2002 56.2566 42.3726 173.6282 107 N 4.7571 8.2932 124.6668 52.1115 39.7108 175.5348 108 F 4.3756 9.1275 125.6276 60.0781 39.7213 176.9052 109 D 4.5764 8.2572 120.4118 56.6729 40.6184 177.1641 110 T 4.3320 7.8913 106.0109 60.2975 70.0500 174.1191 111 G 3.8724 8.1032 110.4114 46.3922 0.0000 173.6591 112 R 4.5165 6.4907 115.9751 52.9649 34.8441 173.4163 113 P 4.8192 0.0000 0.0000 63.3608 32.0993 175.2452 114 E 4.7815 9.2552 119.9576 53.8510 33.9326 173.4814 115 P 4.5021 0.0000 0.0000 63.2848 32.0415 176.3247 116 I 4.0064 8.6444 125.8722 60.8396 37.5229 174.6846 117 P 4.4443 0.0000 0.0000 62.3580 32.3143 176.7474 118 D 4.3699 8.9419 120.3859 58.0312 40.4653 179.2595 119 D 4.3217 7.9317 117.5034 56.1396 39.7772 178.3270 120 I 3.6874 7.5149 120.9435 63.9892 37.3212 177.6098 121 R 3.7998 7.8911 119.7549 59.6968 29.5525 178.2032 122 V 3.5463 7.6176 116.3494 66.3128 31.1719 177.8707 123 K 4.1346 7.9631 117.8385 59.4159 31.7762 179.4493 124 L 4.1219 7.7802 118.8668 57.7627 41.4349 179.3672 125 R 3.9324 7.7921 117.0098 58.7797 30.0619 177.8736 126 E 4.3194 7.5663 115.2005 56.9645 30.0726 175.9258 127 H 5.3243 8.1793 117.3346 54.1974 30.5230 173.3498 128 V 4.3885 7.9854 118.9786 62.5993 32.1469 174.9566 129 W 5.1123 9.4111 135.0000 56.1170 33.0265 174.8206 130 Q 4.3174 8.5236 126.6084 53.0141 28.1564 173.7349 131 P 4.1365 0.0000 0.0000 62.0165 32.4972 177.0176 132 G 4.1843 7.8861 108.1107 45.3064 0.0000 173.9161 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 0 A 8.12 4.13 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 *2 F 7.74 4.82 0.00 3.00 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 3 T 8.45 4.83 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 0.96 0.00 0.00 4 T 8.77 4.45 4.13 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 1.11 0.00 0.00 5 V 8.31 4.40 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 0.73 0.00 0.00 0.81 0.00 0.00 6 I 8.37 4.44 1.17 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 1.01 0.42 0.33 0.00 0.00 7 T 8.14 4.75 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 1.23 0.00 0.00 8 P 0.00 4.89 0.00 2.30 2.44 0.00 3.59 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 1.94 0.00 9 R 8.97 4.96 0.00 2.03 1.84 0.00 3.26 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 10 V 8.17 2.91 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 0.81 0.00 0.00 0.22 0.00 0.00 11 S 7.90 4.23 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 12 E 8.24 4.24 0.00 2.31 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 2.25 2.28 0.00 13 T 7.56 4.77 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 1.29 0.00 0.00 14 D 8.36 4.87 0.00 2.83 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 15 G 8.59 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 16 V 7.62 3.55 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 0.69 0.00 0.00 0.90 0.00 0.00 17 G 8.11 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 7.55 4.94 0.00 2.82 3.21 0.00 5.49 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.89 4.07 1.75 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.02 0.46 0.00 0.00 20 N 8.82 4.59 0.00 2.63 2.55 0.00 0.00 6.63 7.46 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 21 N 8.62 4.18 0.00 2.38 2.54 0.00 0.00 5.95 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 22 T 8.37 4.10 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 1.22 0.00 0.00 23 T 7.72 3.88 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 -0.18 0.00 0.00 24 V 7.28 3.19 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 0.45 0.00 0.00 0.84 0.00 0.00 25 P 0.00 4.71 0.00 2.26 2.20 0.00 3.75 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 2.18 2.26 0.00 26 V 7.14 3.69 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 1.13 0.00 0.00 0.92 0.00 0.00 27 W 8.38 4.47 0.00 3.37 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 28 F 8.75 4.70 0.00 3.30 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 29 E 8.59 4.16 0.00 2.31 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 0.00 2.76 2.85 0.00 30 A 8.38 4.34 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 31 G 7.92 3.70 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 0.00 0.00 0.00 32 R 7.46 3.91 0.00 1.52 0.78 0.00 3.30 0.00 0.00 3.11 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.69 0.00 33 H 7.56 3.97 0.00 3.28 3.21 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 E 7.49 3.72 0.00 1.16 1.12 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 2.02 1.94 0.00 35 I 6.83 3.82 1.72 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.01 0.99 0.00 0.00 36 F 7.71 4.29 0.00 3.12 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 37 K 7.94 4.13 0.00 1.90 1.77 0.00 1.56 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.60 1.39 7.81 38 L 7.45 3.95 0.00 1.80 1.61 1.07 0.68 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 39 F 8.12 4.25 0.00 2.98 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 40 T 8.06 4.55 3.99 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 1.26 0.00 0.00 41 P 0.00 4.40 0.00 2.02 2.13 0.00 3.69 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 42 D 8.11 4.67 0.00 2.82 2.88 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 43 L 7.86 3.89 0.00 1.79 1.82 0.91 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.57 4.29 0.00 4.04 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 0.00 45 F 8.63 4.47 0.00 3.07 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 46 K 7.78 4.12 0.00 1.87 1.93 0.00 1.69 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.47 7.81 47 R 7.51 4.72 0.00 1.79 1.96 0.00 3.20 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 48 W 7.92 4.23 0.00 3.50 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 49 R 7.32 5.00 0.00 1.61 1.99 0.00 3.50 0.00 0.00 3.68 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 *51 V 7.45 4.22 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 0.48 0.00 0.00 0.65 0.00 0.00 52 I 8.25 3.60 0.96 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.35 0.75 0.00 0.00 53 I 8.74 4.39 1.84 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.82 0.87 0.00 0.00 54 R 7.39 4.53 0.00 1.84 1.76 0.00 3.20 0.00 0.00 3.39 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 *56 E 8.57 4.43 0.00 2.12 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 2.45 2.32 0.00 57 V 8.27 4.83 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 0.11 0.00 0.00 1.03 0.00 0.00 58 D 9.14 4.86 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 59 Y 8.76 4.53 0.00 2.84 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 60 V 8.82 4.14 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 0.79 0.00 0.00 1.02 0.00 0.00 61 N 7.80 5.15 0.00 2.75 2.71 0.00 0.00 6.92 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 62 Q 8.29 4.02 0.00 1.99 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 *64 Y 8.02 4.44 0.00 3.13 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 65 Y 8.70 4.29 0.00 2.98 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 66 G 8.42 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 67 Q 7.53 4.45 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.97 0.00 0.00 0.00 0.00 0.00 2.21 2.33 0.00 68 D 8.47 4.67 0.00 2.57 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 69 V 8.41 4.54 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 0.62 0.00 0.00 -0.04 0.00 0.00 70 T 8.83 4.70 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 0.57 0.00 0.00 71 V 8.73 4.61 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 1.25 0.00 0.00 0.84 0.00 0.00 72 Y 8.88 5.19 0.00 3.14 2.55 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 0.00 0.00 0.00 0.00 73 T 8.81 5.31 4.45 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 1.34 0.00 0.00 74 G 9.80 4.60 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 75 I 9.02 4.77 2.11 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 1.26 0.73 1.07 0.00 0.00 76 E 9.72 4.59 0.00 1.98 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 2.26 2.15 0.00 77 R 7.79 4.68 0.00 1.90 1.97 0.00 2.98 0.00 0.00 3.36 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 78 I 8.52 4.61 1.91 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 1.42 0.71 0.96 0.00 0.00 79 G 8.80 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 80 N 8.88 4.44 0.00 2.83 2.83 0.00 0.00 6.56 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 81 T 7.87 4.63 4.29 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 1.22 0.00 0.00 82 S 7.78 5.52 0.00 4.01 4.02 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 83 L 8.85 5.24 0.00 1.97 1.90 1.17 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 84 T 9.02 5.10 4.29 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 1.35 0.00 0.00 85 I 9.13 4.93 1.97 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 1.21 0.94 1.07 0.00 0.00 86 Y 8.97 5.18 0.00 2.94 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 87 E 7.38 5.33 0.00 1.87 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 1.64 1.47 0.00 88 E 9.82 5.46 0.00 2.32 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 0.00 2.24 2.35 0.00 89 I 9.29 5.22 1.90 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.63 0.97 0.00 0.00 90 H 9.49 5.55 0.00 3.27 3.33 0.00 5.76 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.75 4.63 0.00 2.13 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.30 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 92 N 9.85 4.22 0.00 3.08 2.90 0.00 0.00 7.11 7.98 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 93 G 8.63 3.99 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 0.00 0.00 0.00 94 V 7.63 4.37 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 1.05 0.00 0.00 1.04 0.00 0.00 95 V 8.42 3.94 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 0.80 0.00 0.00 1.02 0.00 0.00 96 C 9.56 4.95 0.00 2.91 3.26 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 97 A 7.81 5.16 1.08 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 0.00 0.00 98 K 9.13 5.10 0.00 1.74 1.73 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.45 7.81 99 G 8.73 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 R 8.60 5.28 0.00 1.82 1.76 0.00 3.23 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 101 S 9.31 4.98 0.00 3.91 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 0.00 102 V 8.99 4.92 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 1.01 0.00 0.00 0.95 0.00 0.00 103 Y 8.92 5.13 0.00 2.98 2.77 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 0.00 104 V 8.72 4.98 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 0.70 0.00 0.00 1.12 0.00 0.00 105 N 9.15 4.68 0.00 3.08 3.00 0.00 0.00 6.76 7.87 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 0.00 106 F 9.16 5.02 0.00 2.81 2.58 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 0.00 107 N 8.29 4.76 0.00 2.73 2.41 0.00 0.00 7.04 7.59 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 0.00 108 F 9.13 4.38 0.00 3.22 3.22 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 0.00 109 D 8.26 4.58 0.00 2.85 2.77 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 0.00 110 T 7.89 4.33 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 1.18 0.00 0.00 111 G 8.10 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 0.00 112 R 6.49 4.52 0.00 1.47 1.58 0.00 3.07 0.00 0.00 3.29 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 113 P 0.00 4.82 0.00 2.11 2.19 0.00 3.67 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 114 E 9.26 4.78 0.00 1.73 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 0.00 2.14 2.31 0.00 115 P 0.00 4.50 0.00 1.94 2.18 0.00 3.68 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 2.04 2.16 0.00 116 I 8.64 4.01 1.93 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.62 0.85 0.00 0.00 117 P 0.00 4.44 0.00 2.36 2.17 0.00 3.74 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 118 D 8.94 4.37 0.00 2.76 2.77 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 0.00 119 D 7.93 4.32 0.00 2.79 2.77 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 0.00 120 I 7.51 3.69 1.73 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.69 -0.03 0.00 0.00 121 R 7.89 3.80 0.00 1.95 2.08 0.00 3.11 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 122 V 7.62 3.55 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 0.87 0.00 0.00 0.93 0.00 0.00 123 K 7.96 4.13 0.00 1.90 1.83 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.65 7.81 124 L 7.78 4.12 0.00 1.81 1.76 0.90 0.98 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 0.00 125 R 7.79 3.93 0.00 1.78 2.00 0.00 3.14 0.00 0.00 3.21 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.94 0.00 126 E 7.57 4.32 0.00 1.94 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 2.26 2.42 0.00 127 H 8.18 5.32 0.00 3.04 3.04 0.00 5.62 0.00 0.00 0.00 0.00 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 V 7.99 4.39 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 0.78 0.00 0.00 1.02 0.00 0.00 129 W 9.41 5.11 0.00 3.13 3.13 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 0.00 130 Q 8.52 4.32 0.00 1.85 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 131 P 0.00 4.14 0.00 1.34 1.58 0.00 2.60 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 132 G 7.89 4.18 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.