NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.1547 8.1849 120.6456 54.4538 44.1400 177.0249 *4 K 4.1550 7.5727 117.2891 55.5142 34.4464 176.5430 5 V 3.7938 8.3209 119.8090 66.5519 31.3926 177.9490 6 A 4.0732 8.1627 119.7245 55.5369 18.1510 179.3483 7 E 3.9642 8.1356 116.3496 59.3846 29.5670 179.3514 8 F 4.4149 8.2646 117.8429 60.9217 39.2125 177.6252 9 E 4.2232 8.6368 118.1635 59.3601 29.2130 179.4697 10 R 3.9784 8.2694 118.9284 59.4703 30.2073 178.6761 11 L 4.1177 8.2112 118.7995 57.8658 41.6601 179.4453 12 F 4.3799 8.9217 118.0633 60.0562 38.6938 177.7621 13 R 4.0367 8.1018 118.2901 59.4993 29.9023 178.5123 14 Q 4.0909 8.1133 116.1830 58.7680 28.7334 178.2735 15 A 4.2743 8.4826 121.4350 54.8135 18.4682 179.0889 16 A 4.4557 7.7958 115.1060 52.4703 20.7510 175.9226 17 G 4.0086 8.3726 105.6872 47.9095 0.0000 174.1590 18 L 4.8118 8.2664 117.8280 52.7983 44.4157 176.2771 19 D 4.9510 8.6211 121.3585 52.5859 43.3291 175.2170 20 V 4.2403 8.2379 124.6216 61.3146 34.2892 174.7055 21 D 4.8013 8.8981 126.5165 52.9040 43.1482 177.3952 22 K 4.0151 8.3067 117.8579 59.5547 32.0001 179.3553 23 N 4.2584 7.9396 116.5527 56.3917 38.4806 176.9102 24 D 4.2043 7.8779 119.7201 57.1368 40.8210 178.7098 25 L 3.3833 7.2824 118.7529 57.4727 41.7312 179.3392 26 K 3.7665 7.6038 119.4257 59.5403 32.0064 178.9585 27 R 3.8999 7.4613 114.9090 59.1282 29.4144 178.9436 28 V 3.2434 7.7424 119.2863 65.4758 31.4882 177.9287 29 S 4.1907 8.4683 113.5449 61.7395 62.3836 175.9293 30 D 4.4810 7.9836 121.2452 57.1054 40.5697 178.6763 31 F 4.1719 8.4391 121.3776 61.4942 39.4491 177.3655 32 L 3.9510 8.3003 118.9044 57.4855 41.3749 179.3767 33 R 3.9117 8.5015 119.3269 59.5946 29.9063 178.3929 34 N 4.4034 8.0831 116.1438 56.1497 38.5003 177.6185 35 K 3.8967 7.6443 119.5280 59.3317 32.0397 179.1985 36 L 3.9630 8.3331 121.1062 58.1280 41.9756 178.4280 37 Y 4.0258 8.1013 119.6523 60.8051 38.7970 177.6067 38 D 4.4482 8.6028 120.2102 57.1448 40.7750 178.8362 39 L 3.9283 7.7391 119.5976 57.8835 41.5869 179.5894 40 L 3.9085 7.6222 118.3240 57.5260 41.3585 179.4411 41 A 3.7227 7.9865 121.2792 54.9984 18.2509 179.9223 42 V 3.5603 7.8318 116.5621 65.8547 31.6170 177.9679 43 A 4.5646 8.1231 122.3613 54.6907 18.2080 179.0144 44 E 3.8741 8.3816 118.0187 59.5612 29.5985 179.1175 45 R 3.9066 7.6101 117.1243 59.6044 30.2931 178.3361 46 N 4.4232 8.2072 116.1283 55.9598 38.4205 177.3329 47 A 4.0761 8.5691 122.7379 55.2987 18.5674 179.9043 48 K 3.9530 8.1526 117.0279 59.6991 31.8481 178.9711 49 Y 4.0938 7.9096 119.1749 60.2869 38.6985 176.8703 50 N 4.8302 7.9396 114.9052 52.4082 38.8054 175.2252 51 G 3.8854 7.8706 107.7767 46.6291 0.0000 174.1438 52 R 4.6910 8.0452 117.3952 54.3287 32.4524 175.7105 53 D 4.8789 8.6635 118.5250 53.9148 41.6082 175.7140 54 L 4.9720 7.5349 116.0113 53.2596 45.9338 175.7590 55 I 4.3748 8.2979 123.6729 60.6213 38.6288 175.2823 56 F 4.8585 9.5841 125.7211 55.2466 42.3839 176.3601 57 E 3.9321 9.2696 120.9440 59.2716 29.2967 177.6358 58 P 4.3698 0.0000 0.0000 65.2601 31.7965 177.4405 59 D 4.4991 8.3362 118.4998 56.7878 40.9846 176.7321 60 L 4.3602 7.7992 119.7883 53.8857 42.3175 176.6311 61 P 4.4505 0.0000 0.0000 62.0497 29.3086 175.2293 62 I 4.0811 7.3025 121.3831 60.3419 37.6643 176.5479 63 A 4.2415 8.1190 127.5693 51.0070 20.3386 177.3110 64 K 3.8363 8.6850 121.9394 59.8391 32.2026 179.0697 65 G 3.6895 8.0866 105.1444 47.6334 0.0000 175.2126 66 L 3.9967 7.8265 122.4736 57.6049 42.0090 178.5540 67 Q 3.9921 8.2519 119.9659 59.2547 28.7662 178.1880 68 E 4.0448 8.4802 119.9288 59.6016 29.4861 179.4371 69 T 4.0639 7.8394 115.7421 66.2800 68.4526 176.5779 70 L 4.1019 7.9892 122.5992 58.2435 41.8746 179.0776 71 Q 4.0712 7.7014 117.2306 58.7894 29.0303 178.0977 72 E 4.1279 8.1784 119.7926 59.3522 29.3043 179.1423 73 F 4.2165 8.1280 119.3755 61.4059 39.6465 177.1156 74 R 3.6962 8.0142 115.3605 57.3860 31.1393 178.1188 75 R 4.2384 7.0939 119.9073 54.2299 28.1253 176.3793 *77 D 4.3261 7.5113 120.1634 54.4167 42.4960 177.2737 78 T 4.4397 6.8855 114.7055 61.3598 70.0320 172.8280 79 A 4.1684 8.2193 127.3464 51.6612 19.2940 177.1031 80 L 4.7669 8.3215 122.7402 52.4398 44.0029 176.6019 81 E 4.1338 8.5780 122.5927 56.4912 30.4127 177.4323 82 L 4.1517 8.4390 122.8564 57.5367 42.2500 178.7722 83 K 3.7797 8.0869 119.3436 59.4658 32.0362 176.6368 84 P 4.2158 0.0000 0.0000 65.4139 31.1049 178.9107 85 V 3.5590 7.6257 116.6018 66.0632 31.7810 177.9767 86 L 3.9909 7.8168 118.6325 57.9124 41.1964 179.3112 87 D 4.3655 8.2204 118.0184 57.1551 40.9739 178.3821 88 A 4.1391 8.0893 121.3024 55.2666 18.4925 179.7795 89 L 4.0376 8.2941 117.1723 57.3944 41.4431 179.1750 90 A 4.1464 7.6262 119.0124 53.9649 18.3686 178.6292 91 A 4.1111 7.6560 117.8384 52.5548 18.8316 177.2592 92 L 4.3716 6.7539 116.7697 51.6486 43.7985 174.6725 93 P 4.2510 0.0000 0.0000 62.4547 31.6357 175.0752 94 P 4.4795 0.0000 0.0000 62.4972 31.9404 176.3275 95 L 4.3918 8.2081 121.5152 54.0664 42.7137 176.8663 96 D 4.4286 8.8651 120.3968 56.8625 41.4400 176.5787 97 L 4.6483 8.1657 118.0135 52.9438 43.5921 176.0055 98 E 4.4112 8.3039 119.6633 55.9488 31.6910 175.5420 99 V 4.4984 8.0089 113.3859 60.0055 33.4241 175.9955 100 A 3.9119 8.5235 126.0976 51.4615 19.4914 178.6484 101 E 3.9062 8.7585 118.5587 59.5363 28.9345 179.4532 102 D 4.4006 8.0813 118.8238 56.5820 39.3354 178.8465 103 V 3.6125 7.5814 119.0260 65.3409 31.4552 177.4598 104 R 3.8563 7.6871 117.5510 59.9623 29.9754 178.0017 105 N 4.5141 7.8327 113.2874 55.4272 38.8699 176.8059 106 L 4.1611 7.5225 120.9761 57.2958 42.1199 178.4307 107 L 3.9588 7.9377 119.7366 57.5050 41.6466 177.8195 108 P 4.2142 0.0000 0.0000 65.8512 31.1191 178.2648 109 E 3.9974 8.0968 118.0192 59.1698 29.4686 179.0316 110 L 3.8942 8.0816 118.9415 57.4433 41.7117 179.3293 111 A 4.0312 7.9774 121.1343 54.9571 18.1936 179.9724 112 G 2.3952 7.3554 103.9500 47.3802 0.0000 175.7053 113 A 3.9532 7.4643 123.7821 54.9513 18.2955 179.7640 114 L 4.0658 8.2618 117.8215 57.8712 41.6704 180.0002 115 V 3.5215 7.7017 118.0898 65.7982 31.4867 178.2064 116 V 3.5168 8.0301 118.0413 66.0850 31.4315 177.8765 117 A 4.1325 8.4154 120.7647 55.3587 18.0944 179.0048 118 Y 3.6732 8.6320 118.1246 60.6959 38.8378 178.0442 119 A 4.1498 8.5386 122.1806 55.2642 18.4312 179.8225 120 R 4.0050 8.1742 116.6117 58.9787 30.1485 179.3269 121 V 3.6011 7.9317 118.3219 65.8280 31.4313 177.9909 122 L 3.8482 7.5122 118.2365 57.8393 41.6819 179.5563 123 K 3.9153 7.8853 118.7508 59.3163 31.7727 178.6090 124 E 4.0604 7.8550 118.4509 59.0956 29.5654 178.6810 125 L 4.3371 7.8334 118.2832 56.3755 42.9125 176.9900 126 D 4.7022 8.2619 118.9846 50.8285 41.3938 173.2166 127 P 4.7841 0.0000 0.0000 64.1339 31.6334 177.1881 128 A 4.3587 7.7897 117.5774 51.8857 19.2539 177.0105 129 L 4.0182 8.1007 119.0910 55.1946 42.6563 176.5974 130 K 4.4587 8.2326 123.6993 55.9350 34.0240 174.6468 131 N 5.1371 7.8830 114.0347 53.1505 41.3275 172.2372 132 P 4.2200 0.0000 0.0000 63.0064 32.3853 175.0747 133 Q 4.6972 8.3384 121.4983 53.9093 32.3038 175.9232 134 T 3.9486 8.7583 118.0626 66.6213 68.1870 176.3490 135 E 3.8903 8.0605 120.7600 59.6230 29.8526 178.3883 136 H 4.1680 8.0665 115.6647 59.1849 28.7998 177.1679 137 H 4.3294 8.0952 119.3135 58.4881 28.6434 177.6771 138 E 3.8937 7.9024 118.8895 59.2034 29.3453 179.5888 139 R 3.9528 7.5283 116.7650 58.8843 30.1227 178.8146 140 A 3.8307 8.4391 121.0110 54.9816 18.1892 179.5514 141 E 3.6035 8.1886 117.3330 59.5178 29.2321 179.7332 142 R 3.9891 7.5820 116.4996 59.1623 30.3799 179.0281 143 V 3.8002 7.7446 117.5201 66.1291 31.6303 177.8785 144 F 4.2260 8.6999 117.5724 61.0439 38.7032 177.4603 145 N 4.8427 8.7431 114.6586 56.3405 38.3521 177.0153 146 L 4.2383 7.8640 119.7076 56.6044 41.8053 177.6517 147 L 4.6741 7.8011 115.8673 54.2727 44.3059 176.2649 148 L 4.2911 8.4321 122.8988 54.7623 42.3476 176.0812 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 L 8.18 4.15 0.00 1.71 1.74 1.05 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 *4 K 7.57 4.15 0.00 1.91 1.79 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.59 7.81 5 V 8.32 3.79 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.00 0.00 0.00 6 A 8.16 4.07 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 7 E 8.14 3.96 0.00 2.03 1.95 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 2.40 2.39 0.00 8 F 8.26 4.41 0.00 3.39 3.19 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 9 E 8.64 4.22 0.00 2.26 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 0.00 2.37 2.57 0.00 10 R 8.27 3.98 0.00 2.09 2.18 0.00 3.12 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 11 L 8.21 4.12 0.00 1.96 1.73 0.97 1.15 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 12 F 8.92 4.38 0.00 3.29 3.29 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 13 R 8.10 4.04 0.00 2.14 2.18 0.00 3.13 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 14 Q 8.11 4.09 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.74 0.00 0.00 0.00 0.00 0.00 2.43 2.70 0.00 15 A 8.48 4.27 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 16 A 7.80 4.46 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 17 G 8.37 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 0.00 0.00 0.00 18 L 8.27 4.81 0.00 1.90 1.66 1.11 0.81 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 19 D 8.62 4.95 0.00 2.75 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 20 V 8.24 4.24 1.74 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 0.49 0.00 0.00 -0.40 0.00 0.00 21 D 8.90 4.80 0.00 2.67 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 22 K 8.31 4.02 0.00 1.76 1.81 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.50 7.81 23 N 7.94 4.26 0.00 2.74 2.80 0.00 0.00 7.17 8.08 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 24 D 7.88 4.20 0.00 2.43 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 25 L 7.28 3.38 0.00 1.63 1.26 0.92 0.20 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 26 K 7.60 3.77 0.00 1.68 1.74 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.57 7.81 27 R 7.46 3.90 0.00 2.03 2.07 0.00 2.68 0.00 0.00 2.74 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.40 0.00 28 V 7.74 3.24 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.64 0.00 0.00 29 S 8.47 4.19 0.00 3.96 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 30 D 7.98 4.48 0.00 2.88 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 31 F 8.44 4.17 0.00 3.16 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 32 L 8.30 3.95 0.00 1.76 1.74 0.99 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.50 3.91 0.00 1.95 2.15 0.00 3.25 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 1.62 1.68 0.00 34 N 8.08 4.40 0.00 2.84 2.82 0.00 0.00 7.04 7.66 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 35 K 7.64 3.90 0.00 1.88 1.79 0.00 1.60 0.00 0.00 1.41 0.00 0.00 2.28 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.05 1.48 7.81 36 L 8.33 3.96 0.00 1.82 1.85 0.89 0.68 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 37 Y 8.10 4.03 0.00 3.18 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 38 D 8.60 4.45 0.00 2.86 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 39 L 7.74 3.93 0.00 1.86 1.66 0.88 0.57 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 40 L 7.62 3.91 0.00 1.57 1.52 0.89 1.34 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 41 A 7.99 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 42 V 7.83 3.56 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 0.95 0.00 0.00 0.91 0.00 0.00 43 A 8.12 4.56 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 44 E 8.38 3.87 0.00 1.96 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 0.00 2.30 2.31 0.00 45 R 7.61 3.91 0.00 1.95 2.09 0.00 3.14 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 1.64 1.69 0.00 46 N 8.21 4.42 0.00 2.94 2.86 0.00 0.00 6.93 8.30 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 47 A 8.57 4.08 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 48 K 8.15 3.95 0.00 2.02 1.90 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.64 7.81 49 Y 7.91 4.09 0.00 3.07 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 50 N 7.94 4.83 0.00 2.96 2.86 0.00 0.00 7.04 7.10 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 51 G 7.87 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 0.00 0.00 0.00 52 R 8.05 4.69 0.00 2.02 2.10 0.00 3.26 0.00 0.00 3.05 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 53 D 8.66 4.88 0.00 2.62 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.53 4.97 0.00 1.63 1.10 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.30 4.37 1.75 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 1.20 0.58 0.86 0.00 0.00 56 F 9.58 4.86 0.00 2.91 2.95 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 57 E 9.27 3.93 0.00 2.20 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 2.33 0.00 58 P 0.00 4.37 0.00 2.11 2.13 0.00 3.80 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 59 D 8.34 4.50 0.00 2.93 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 L 7.80 4.36 0.00 1.76 1.58 0.93 0.88 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 61 P 0.00 4.45 0.00 2.13 2.05 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 62 I 7.30 4.08 1.86 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 1.32 0.70 0.90 0.00 0.00 63 A 8.12 4.24 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.68 3.84 0.00 1.82 1.83 0.00 1.73 0.00 0.00 1.82 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.53 7.81 65 G 8.09 3.69 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 0.00 0.00 0.00 66 L 7.83 4.00 0.00 1.71 1.78 0.88 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 8.25 3.99 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 68 E 8.48 4.04 0.00 2.19 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 0.00 2.33 2.64 0.00 69 T 7.84 4.06 4.42 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 1.31 0.00 0.00 70 L 7.99 4.10 0.00 1.80 1.95 1.02 0.61 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 71 Q 7.70 4.07 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.63 2.56 0.00 72 E 8.18 4.13 0.00 2.28 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 2.59 2.50 0.00 73 F 8.13 4.22 0.00 3.02 3.33 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 74 R 8.01 3.70 0.00 1.97 1.92 0.00 3.35 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.91 0.00 75 R 7.09 4.24 0.00 1.93 1.85 0.00 3.24 0.00 0.00 3.14 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 *77 D 7.51 4.33 0.00 2.60 2.61 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 78 T 6.89 4.44 4.21 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 1.28 0.00 0.00 79 A 8.22 4.17 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.32 4.77 0.00 1.67 1.56 0.86 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.58 4.13 0.00 1.94 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 82 L 8.44 4.15 0.00 1.67 1.64 0.91 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.09 3.78 0.00 1.82 1.81 0.00 1.98 0.00 0.00 1.84 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.50 7.81 84 P 0.00 4.22 0.00 2.33 2.08 0.00 3.68 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 2.09 2.14 0.00 85 V 7.63 3.56 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 1.14 0.00 0.00 0.98 0.00 0.00 86 L 7.82 3.99 0.00 1.89 1.70 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.22 4.37 0.00 2.82 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 88 A 8.09 4.14 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 89 L 8.29 4.04 0.00 1.87 1.83 0.95 1.12 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 90 A 7.63 4.15 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 91 A 7.66 4.11 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 92 L 6.75 4.37 0.00 1.14 0.54 0.46 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.25 0.00 2.14 2.05 0.00 3.32 0.00 0.00 3.46 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 94 P 0.00 4.48 0.00 2.06 2.01 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 95 L 8.21 4.39 0.00 1.72 1.77 0.79 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.87 4.43 0.00 2.64 2.84 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 0.00 0.00 0.00 97 L 8.17 4.65 0.00 1.62 1.54 0.98 1.04 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 98 E 8.30 4.41 0.00 1.99 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 2.30 2.27 0.00 99 V 8.01 4.50 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 0.62 0.00 0.00 0.89 0.00 0.00 100 A 8.52 3.91 0.45 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 0.00 101 E 8.76 3.91 0.00 1.99 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 2.38 2.31 0.00 102 D 8.08 4.40 0.00 2.96 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 0.00 103 V 7.58 3.61 2.10 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 0.97 0.00 0.00 0.94 0.00 0.00 104 R 7.69 3.86 0.00 1.96 2.07 0.00 3.35 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 105 N 7.83 4.51 0.00 2.78 2.87 0.00 0.00 7.10 7.16 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 0.00 106 L 7.52 4.16 0.00 1.94 1.86 0.94 0.56 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 0.00 107 L 7.94 3.96 0.00 1.86 1.70 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 108 P 0.00 4.21 0.00 2.38 2.44 0.00 3.68 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.06 0.00 109 E 8.10 4.00 0.00 2.26 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 2.67 2.49 0.00 110 L 8.08 3.89 0.00 1.83 1.65 0.89 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 A 7.98 4.03 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 0.00 112 G 7.36 2.40 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 0.00 113 A 7.46 3.95 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 0.00 114 L 8.26 4.07 0.00 1.84 1.89 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.70 3.52 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 0.66 0.00 0.00 1.12 0.00 0.00 116 V 8.03 3.52 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 1.02 0.00 0.00 1.09 0.00 0.00 117 A 8.42 4.13 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 0.00 118 Y 8.63 3.67 0.00 2.99 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 0.00 119 A 8.54 4.15 1.17 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 0.00 0.00 120 R 8.17 4.01 0.00 1.94 2.02 0.00 3.18 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.87 0.00 121 V 7.93 3.60 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 1.00 0.00 0.00 1.24 0.00 0.00 122 L 7.51 3.85 0.00 1.90 1.65 1.06 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 123 K 7.89 3.92 0.00 2.00 1.95 0.00 1.52 0.00 0.00 1.80 0.00 0.00 3.12 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.54 7.81 124 E 7.85 4.06 0.00 2.20 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 0.00 2.62 2.50 0.00 125 L 7.83 4.34 0.00 1.76 1.71 0.85 0.82 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 0.00 126 D 8.26 4.70 0.00 2.73 2.51 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 0.00 127 P 0.00 4.78 0.00 2.08 2.14 0.00 3.77 0.00 0.00 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 128 A 7.79 4.36 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 0.00 129 L 8.10 4.02 0.00 1.82 1.62 0.74 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 130 K 8.23 4.46 0.00 1.76 1.69 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.38 7.81 131 N 7.88 5.14 0.00 2.67 2.58 0.00 0.00 7.37 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 0.00 132 P 0.00 4.22 0.00 1.73 1.90 0.00 3.90 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.81 0.00 133 Q 8.34 4.70 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 134 T 8.76 3.95 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 1.20 0.00 0.00 135 E 8.06 3.89 0.00 1.98 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 0.00 2.19 2.30 0.00 136 H 8.07 4.17 0.00 3.21 3.24 0.00 5.89 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 0.00 137 H 8.10 4.33 0.00 3.16 3.33 0.00 5.63 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 0.00 138 E 7.90 3.89 0.00 2.15 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 2.29 2.59 0.00 139 R 7.53 3.95 0.00 2.00 1.91 0.00 3.04 0.00 0.00 3.05 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 140 A 8.44 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 E 8.19 3.60 0.00 1.96 1.70 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 1.47 1.85 0.00 142 R 7.58 3.99 0.00 1.97 2.02 0.00 3.18 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 1.69 1.84 0.00 143 V 7.74 3.80 2.38 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 1.15 0.00 0.00 1.02 0.00 0.00 144 F 8.70 4.23 0.00 3.64 3.44 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 0.00 145 N 8.74 4.84 0.00 2.97 3.02 0.00 0.00 7.15 7.51 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 0.00 146 L 7.86 4.24 0.00 1.83 1.75 0.95 0.99 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 0.00 147 L 7.80 4.67 0.00 1.49 1.60 0.89 0.87 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 0.00 148 L 8.43 4.29 0.00 1.33 1.38 0.52 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.