NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4937 8.3231 115.4123 57.7797 65.5847 174.4392 -1 G 3.6227 7.5976 113.2296 44.7396 0.0000 171.0699 -1 A 3.9827 7.5076 128.2296 52.1396 19.8335 173.9699 2 I 4.7435 8.9948 113.7300 58.4834 42.2775 173.1267 3 S 4.5443 8.8394 117.6604 58.3912 63.0921 175.5983 4 G 3.4653 8.6793 115.1469 48.1755 0.0000 175.5247 5 D 4.3761 8.0063 119.2851 56.7920 41.1948 177.1725 6 S 4.3557 7.9931 116.2212 59.1920 64.0780 173.6815 7 L 4.7724 9.8631 125.6215 53.8463 43.0455 175.8351 8 I 4.7086 8.5750 126.2140 60.5634 38.6512 175.4870 9 S 4.7748 8.5922 124.4095 58.3690 63.6539 173.8393 10 L 4.5879 9.2118 126.2213 53.2702 41.6099 177.6432 11 A 3.5737 8.3584 128.5501 54.9336 18.2906 179.3055 12 S 4.2419 7.8577 108.4490 60.0387 63.6411 174.8664 13 T 4.3285 7.7059 109.8996 61.3773 70.3931 175.1299 14 G 4.0562 8.9478 108.7431 44.6945 0.0000 173.1748 15 K 4.5159 8.1846 119.6465 55.5627 34.1907 175.9110 16 R 5.6534 8.2280 119.3370 53.6539 33.4606 175.5361 17 V 4.6205 8.1577 115.4887 59.0631 36.1839 175.3033 18 S 4.5555 8.7338 118.4876 58.5318 63.4737 175.0164 19 I 3.6322 8.5147 122.4908 63.8465 37.6193 178.2507 20 K 2.7795 7.3702 120.4195 59.3212 31.7884 178.1761 21 D 4.5102 7.6482 116.0765 55.7136 40.8272 177.3823 22 L 4.3996 7.4518 119.3406 53.9520 41.7887 177.4652 23 L 3.9709 7.5105 122.8294 58.0870 42.4426 178.0966 24 D 4.9608 7.7705 117.2860 53.2978 40.4600 175.8435 25 E 4.8515 7.9158 117.3295 54.9471 34.1092 175.5588 26 K 4.5906 8.6321 118.7714 56.9500 35.3514 174.4498 27 D 4.3112 8.3875 116.9913 55.9083 38.6656 173.7966 28 F 5.0697 6.7645 112.1291 54.9991 41.9227 174.6740 29 E 4.8424 8.6642 119.5777 55.7861 31.4153 175.3568 30 I 5.1068 8.7454 116.2667 58.9708 41.9924 173.5514 31 W 5.2883 8.6771 120.9083 55.3651 30.8319 175.7280 32 A 5.3052 9.1855 125.7573 50.1620 22.4214 174.3028 33 I 4.6186 9.1212 120.3737 59.7152 39.8745 174.9754 34 N 4.7526 9.1133 128.4692 52.2051 39.0451 175.4048 35 E 3.8749 9.0649 127.2672 59.5566 30.0823 179.0179 36 Q 4.1754 8.3058 117.1579 58.9050 28.8541 177.3582 37 T 4.2026 7.8709 105.0168 61.5521 69.6572 174.8215 38 M 3.2261 8.7731 120.8640 56.1554 30.2555 176.1653 39 K 4.8668 7.6038 117.0612 54.8040 35.0834 175.7650 40 L 5.0017 9.6385 124.7047 54.5882 42.7682 176.2707 41 E 5.1217 9.6849 119.8475 54.6253 33.3816 174.5590 42 S 4.2411 8.8985 116.4276 58.7761 63.2307 173.0443 43 A 4.6833 8.5359 126.4279 50.3668 22.8363 175.6259 44 K 4.3484 8.4876 120.2093 56.1794 33.4504 176.6260 45 V 3.9804 7.7614 124.4875 61.7579 32.3094 176.6283 46 S 4.2205 8.9416 124.3678 61.0359 63.5633 174.5635 47 R 4.7290 7.6593 115.2888 54.5670 32.3715 173.4279 48 V 4.9252 8.3671 120.1901 61.4186 34.2269 174.4988 49 F 5.0890 7.9921 119.8449 56.0864 41.4159 172.7092 50 M 4.1912 8.8179 120.8646 54.9379 32.9725 175.6453 51 T 4.4265 8.7431 114.9167 61.7304 70.0629 173.1500 52 G 3.7102 7.7045 107.8420 44.2676 0.0000 171.8007 53 K 5.0229 8.3730 118.3923 54.9498 33.6573 176.4637 54 K 4.7321 9.5537 123.8055 54.2615 37.1379 175.4698 55 L 4.5753 8.6690 125.1871 55.4505 42.6410 176.4311 56 V 4.9056 9.0254 124.9903 60.1763 35.1801 173.9380 57 Y 5.1013 8.9834 118.4491 56.3521 42.2362 174.6275 58 I 4.5651 9.0485 125.3033 60.7122 38.7675 174.4279 59 L 5.0225 9.0602 130.1415 53.0978 44.4180 174.9421 60 K 5.2014 9.2514 127.1912 54.8839 35.7611 175.2609 61 T 4.8238 8.9324 117.0352 59.9360 71.2170 175.3754 62 R 3.9019 8.7028 122.9679 59.6183 29.9356 178.0469 63 L 3.9991 9.0405 118.4174 56.2822 41.6678 178.0135 64 G 4.0775 8.1434 105.9837 44.9414 0.0000 174.1681 65 R 4.1670 7.7270 119.8403 56.5690 30.7025 175.6729 66 T 5.2508 8.0214 116.6555 62.6166 72.9134 172.8220 67 I 4.5954 8.6323 122.6519 60.0414 42.3730 173.1271 68 K 5.2446 8.6656 126.0143 54.9138 34.4377 175.1763 69 A 5.2204 9.1272 125.4275 50.7694 23.4105 175.6462 70 T 4.7811 8.6854 109.1576 61.4267 70.0454 175.5519 71 A 3.6234 9.1531 125.5644 54.6334 18.4855 178.7276 72 N 4.7744 7.9815 110.3989 52.8524 38.3488 174.4748 73 H 4.2809 8.2881 121.1470 56.5017 31.2590 174.1825 74 R 5.2451 8.1332 123.9520 55.2908 32.1483 175.2982 75 F 5.3562 9.5066 120.8214 55.6135 43.5849 173.9920 76 L 4.1117 8.4466 123.0102 54.3746 43.0182 175.8968 77 T 5.2218 8.3947 123.3432 61.2802 70.5862 176.2313 78 I 2.6560 8.3478 124.0040 63.5236 37.2675 176.8748 79 D 4.7221 7.6659 119.1608 52.9895 39.7197 174.9887 80 G 3.7638 7.8516 105.3330 44.7632 0.0000 173.0057 81 W 5.0032 8.5192 118.6499 56.8114 29.6021 176.5638 82 K 4.8698 9.3974 122.8586 54.4777 36.2135 176.2192 83 R 4.4567 8.9639 122.6347 56.0351 31.0322 177.4676 84 L 3.9175 9.0722 125.0959 58.5304 42.0802 178.6941 85 D 4.4801 7.9504 114.6729 54.3865 39.3936 176.2804 86 E 4.5091 8.0417 118.8119 56.4492 30.9127 176.4302 87 L 4.2648 7.5095 119.3066 54.4216 42.4302 176.0299 88 S 4.7838 8.0725 114.5656 56.1749 66.1975 174.7995 89 L 4.0869 8.4025 119.8813 56.5672 41.3373 178.2866 90 K 4.2102 7.8318 116.4326 57.3776 33.3147 176.5540 91 E 4.5208 8.0182 120.3668 56.1704 31.3927 174.9338 92 H 5.2636 8.7467 117.7917 54.0801 32.7106 172.9778 93 I 5.1822 8.8437 113.9321 58.8413 41.6282 174.3201 94 A 3.7966 8.9984 126.2422 51.7211 19.1633 176.6159 95 L 5.0088 8.4001 122.9214 51.7177 45.6065 174.4850 96 P 4.2321 0.0000 0.0000 63.2500 31.4557 176.1539 97 R 3.9735 8.8026 125.4036 59.0781 30.3689 177.9890 98 K 3.8478 7.6270 116.4526 59.0198 31.5701 178.2115 *116 S 4.4913 8.0664 113.0042 58.3471 63.9099 175.4371 117 D 4.4851 7.9200 119.3514 56.2921 40.8855 175.8946 118 I 4.9597 6.8525 107.8010 58.9353 40.9826 174.7040 119 S 4.6089 8.5761 118.0335 56.5270 64.6760 173.1038 120 W 4.9986 8.8356 127.0287 55.4368 29.3303 174.3587 121 D 4.9760 8.7527 125.0764 52.5348 42.9437 175.8263 122 S 4.6642 8.5535 120.5744 58.5927 64.3327 173.3076 123 I 4.3648 7.8309 124.6959 61.3587 37.1421 176.3135 124 V 4.3952 8.8719 118.7428 61.3949 33.9786 175.8206 125 S 4.6452 7.6923 114.0263 57.1969 65.9370 173.3589 126 I 5.1501 8.2450 127.0006 60.3112 40.5359 174.4991 127 T 4.7640 9.0599 117.6613 59.6214 72.2072 173.1236 128 E 4.0369 9.1541 126.9045 56.8561 29.9094 175.3382 129 T 4.3507 8.7593 115.9959 61.6884 71.0599 174.0596 130 G 3.8988 7.1673 107.5701 45.7573 0.0000 171.1791 131 V 4.7412 8.1609 119.5237 62.1160 32.8811 174.6738 132 E 4.8078 8.7532 124.5887 54.9937 34.5739 174.1658 133 E 4.6044 8.8507 120.9144 56.6352 30.7264 176.6793 134 V 5.0247 8.8388 123.1268 60.0775 35.1971 174.4676 135 F 5.3452 9.7191 120.3959 56.3173 43.9340 172.9297 136 D 5.0026 8.2651 119.1034 53.6226 45.3402 173.1875 137 L 4.6832 8.0743 118.3673 54.7864 44.1189 174.3757 138 T 4.9790 8.8010 116.5854 62.0105 71.4047 174.4752 139 V 4.4456 8.2175 124.3545 58.8146 33.1597 171.9657 140 P 4.3396 0.0000 0.0000 64.6028 31.9013 174.5782 141 G 4.0631 8.5169 117.7821 44.4638 0.0000 172.1014 142 P 4.3545 0.0000 0.0000 63.2086 32.9466 177.2274 143 H 4.1914 8.1088 115.8781 55.9891 26.7341 173.3838 144 N 5.4534 7.5646 112.4085 52.4502 40.8317 172.7415 145 F 5.7194 8.9633 113.3216 56.9058 41.9626 172.9695 146 V 4.7451 8.6612 119.3332 61.9103 33.0158 174.3735 147 A 4.9712 8.7259 129.2081 50.8947 22.5905 175.6013 148 N 4.3134 9.9039 119.5027 54.5761 36.8867 174.0841 149 D 4.5349 8.4698 111.7127 55.4403 38.7624 173.8307 150 I 4.7658 7.6189 117.8033 59.4327 41.6651 174.9157 151 I 4.2737 8.2281 126.8337 61.3214 37.6404 175.9850 152 V 4.4163 8.7085 119.9660 59.3829 35.9015 174.6935 153 H 4.0220 8.3950 123.0545 56.1074 30.4707 174.7766 154 A 5.0950 8.2738 126.7215 50.2655 21.3712 176.1017 155 S 3.9685 8.5726 112.2407 59.3024 63.1887 174.6031 156 I 3.5494 8.4682 126.0465 61.8943 36.5365 173.4071 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 S 8.32 4.49 0.00 3.99 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 G 7.60 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.51 3.98 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 2 I 8.99 4.74 2.03 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.96 0.68 0.00 0.00 3 S 8.84 4.54 0.00 4.10 3.84 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 4 G 8.68 3.47 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 0.00 5 D 8.01 4.38 0.00 2.72 2.75 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 0.00 0.00 0.00 0.00 6 S 7.99 4.36 0.00 3.84 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 7 L 9.86 4.77 0.00 1.84 1.63 0.96 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.57 4.71 1.96 0.00 0.00 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 1.23 1.11 1.04 0.00 0.00 9 S 8.59 4.77 0.00 3.95 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 9.21 4.59 0.00 1.65 1.60 0.81 0.65 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 11 A 8.36 3.57 0.07 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 0.00 0.00 0.00 0.00 0.00 0.00 12 S 7.86 4.24 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 13 T 7.71 4.33 4.25 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 1.21 0.00 0.00 14 G 8.95 4.06 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 0.00 0.00 0.00 15 K 8.18 4.52 0.00 1.76 1.72 0.00 1.51 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.46 7.81 16 R 8.23 5.65 0.00 1.62 1.79 0.00 3.31 0.00 0.00 3.92 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 17 V 8.16 4.62 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 0.68 0.00 0.00 0.76 0.00 0.00 18 S 8.73 4.56 0.00 4.12 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.51 3.63 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.41 0.79 0.00 0.00 20 K 7.37 2.78 0.00 1.42 1.51 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.43 7.81 21 D 7.65 4.51 0.00 2.76 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 22 L 7.45 4.40 0.00 1.66 1.46 0.73 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.51 3.97 0.00 1.80 1.76 1.25 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.77 4.96 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 25 E 7.92 4.85 0.00 2.01 1.71 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 2.16 2.17 0.00 26 K 8.63 4.59 0.00 1.87 1.87 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.50 7.81 27 D 8.39 4.31 0.00 2.84 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 28 F 6.76 5.07 0.00 3.09 3.09 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 29 E 8.66 4.84 0.00 1.81 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 2.20 2.25 0.00 30 I 8.75 5.11 1.99 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.73 1.01 0.00 0.00 31 W 8.68 5.29 0.00 3.43 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 32 A 9.19 5.31 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 33 I 9.12 4.62 1.85 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.89 1.01 0.00 0.00 34 N 9.11 4.75 0.00 3.00 2.87 0.00 0.00 7.10 7.26 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 35 E 9.06 3.87 0.00 2.12 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 0.00 2.43 2.59 0.00 36 Q 8.31 4.18 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.95 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 37 T 7.87 4.20 4.27 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 1.24 0.00 0.00 38 M 8.77 3.23 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.69 0.00 39 K 7.60 4.87 0.00 1.73 1.78 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.59 7.81 40 L 9.64 5.00 0.00 1.27 1.55 0.67 0.81 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 41 E 9.68 5.12 0.00 2.03 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 0.00 2.29 2.35 0.00 42 S 8.90 4.24 0.00 3.22 3.63 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 43 A 8.54 4.68 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 44 K 8.49 4.35 0.00 1.55 1.59 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.62 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.53 7.81 45 V 7.76 3.98 0.67 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 0.60 0.00 0.00 0.37 0.00 0.00 46 S 8.94 4.22 0.00 3.87 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 47 R 7.66 4.73 0.00 1.96 2.06 0.00 2.91 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.96 0.00 48 V 8.37 4.93 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 0.83 0.00 0.00 1.17 0.00 0.00 49 F 7.99 5.09 0.00 3.26 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 50 M 8.82 4.19 0.00 1.82 0.84 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.27 0.00 51 T 8.74 4.43 4.30 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 0.00 0.00 0.00 1.47 0.00 0.00 52 G 7.70 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 0.00 0.00 0.00 53 K 8.37 5.02 0.00 1.63 1.74 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.43 7.81 54 K 9.55 4.73 0.00 1.62 1.68 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.56 7.81 55 L 8.67 4.58 0.00 1.61 1.61 0.75 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 56 V 9.03 4.91 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 0.88 0.00 0.00 1.05 0.00 0.00 57 Y 8.98 5.10 0.00 2.95 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 58 I 9.05 4.57 1.90 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 1.14 0.62 0.93 0.00 0.00 59 L 9.06 5.02 0.00 1.47 1.34 -0.21 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 60 K 9.25 5.20 0.00 1.76 1.55 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.34 7.81 61 T 8.93 4.82 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 62 R 8.70 3.90 0.00 1.83 2.22 0.00 3.28 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 63 L 9.04 4.00 0.00 1.77 1.72 0.90 1.24 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 64 G 8.14 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 0.00 0.00 0.00 65 R 7.73 4.17 0.00 1.86 1.87 0.00 3.13 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 66 T 8.02 5.25 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 67 I 8.63 4.60 1.98 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 1.34 1.34 1.14 0.00 0.00 68 K 8.67 5.24 0.00 1.80 1.75 0.00 1.87 0.00 0.00 1.84 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.46 7.81 69 A 9.13 5.22 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.69 4.78 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 71 A 9.15 3.62 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 72 N 7.98 4.77 0.00 2.84 2.95 0.00 0.00 5.98 7.90 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 73 H 8.29 4.28 0.00 3.39 3.34 0.00 5.76 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.13 5.25 0.00 1.53 1.97 0.00 2.81 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 75 F 9.51 5.36 0.00 3.15 3.07 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 0.00 0.00 0.00 0.00 76 L 8.45 4.11 0.00 0.27 1.05 0.11 0.34 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 77 T 8.39 5.22 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 1.27 0.00 0.00 78 I 8.35 2.66 1.58 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 0.21 -0.19 0.48 0.00 0.00 79 D 7.67 4.72 0.00 2.68 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 80 G 7.85 3.76 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 0.00 0.00 0.00 81 W 8.52 5.00 0.00 3.20 3.09 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 82 K 9.40 4.87 0.00 1.79 1.73 0.00 1.81 0.00 0.00 1.69 0.00 0.00 3.14 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.48 7.81 83 R 8.96 4.46 0.00 1.89 2.11 0.00 3.16 0.00 0.00 3.33 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.61 0.00 84 L 9.07 3.92 0.00 2.08 1.82 1.07 0.83 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 85 D 7.95 4.48 0.00 2.73 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 86 E 8.04 4.51 0.00 2.16 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 2.26 2.25 0.00 87 L 7.51 4.26 0.00 1.68 1.55 0.73 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 88 S 8.07 4.78 0.00 3.92 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 8.40 4.09 0.00 1.64 1.74 0.90 0.85 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 90 K 7.83 4.21 0.00 1.84 1.90 0.00 1.55 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.44 7.81 91 E 8.02 4.52 0.00 1.90 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 92 H 8.75 5.26 0.00 3.20 3.27 0.00 5.75 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 I 8.84 5.18 2.07 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 1.19 0.85 0.98 0.00 0.00 94 A 9.00 3.80 0.56 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 95 L 8.40 5.01 0.00 1.43 1.44 0.89 0.97 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 96 P 0.00 4.23 0.00 1.91 1.92 0.00 3.88 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 1.92 1.93 0.00 97 R 8.80 3.97 0.00 1.67 1.86 0.00 3.23 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 98 K 7.63 3.85 0.00 1.60 1.75 0.00 1.75 0.00 0.00 1.51 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.32 7.81 *116 S 8.07 4.49 0.00 3.88 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 0.00 117 D 7.92 4.49 0.00 2.89 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 0.00 118 I 6.85 4.96 1.45 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 -0.05 0.67 0.00 0.00 119 S 8.58 4.61 0.00 3.79 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 0.00 120 W 8.84 5.00 0.00 3.16 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 0.00 121 D 8.75 4.98 0.00 2.83 2.53 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 0.00 122 S 8.55 4.66 0.00 3.80 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 0.00 123 I 7.83 4.36 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.43 0.87 0.00 0.00 124 V 8.87 4.40 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 0.66 0.00 0.00 0.95 0.00 0.00 125 S 7.69 4.65 0.00 3.85 3.63 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 0.00 126 I 8.24 5.15 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.64 0.88 0.00 0.00 127 T 9.06 4.76 4.27 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 1.23 0.00 0.00 128 E 9.15 4.04 0.00 2.07 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 0.00 1.98 1.62 0.00 129 T 8.76 4.35 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 1.20 0.00 0.00 130 G 7.17 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 V 8.16 4.74 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 0.87 0.00 0.00 0.91 0.00 0.00 132 E 8.75 4.81 0.00 1.99 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 2.25 2.30 0.00 133 E 8.85 4.60 0.00 2.02 1.90 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 2.26 2.28 0.00 134 V 8.84 5.02 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 0.80 0.00 0.00 1.04 0.00 0.00 135 F 9.72 5.35 0.00 2.78 2.89 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 0.00 136 D 8.27 5.00 0.00 2.65 2.13 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 0.00 137 L 8.07 4.68 0.00 1.65 1.38 0.21 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 138 T 8.80 4.98 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 1.26 0.00 0.00 139 V 8.22 4.45 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 0.96 0.00 0.00 1.00 0.00 0.00 140 P 0.00 4.34 0.00 2.01 2.03 0.00 3.57 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.10 0.00 141 G 8.52 4.06 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 0.00 0.00 0.00 142 P 0.00 4.35 0.00 2.30 2.36 0.00 3.96 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 2.08 2.00 0.00 143 H 8.11 4.19 0.00 3.24 3.20 0.00 5.63 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 0.00 144 N 7.56 5.45 0.00 2.99 2.75 0.00 0.00 6.61 7.31 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 0.00 145 F 8.96 5.72 0.00 3.09 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 0.00 146 V 8.66 4.75 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.09 0.00 0.00 147 A 8.73 4.97 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 N 9.90 4.31 0.00 2.86 3.04 0.00 0.00 7.04 7.70 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 0.00 149 D 8.47 4.53 0.00 2.84 2.75 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 0.00 0.00 0.00 0.00 150 I 7.62 4.77 2.12 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.05 1.14 0.00 0.00 151 I 8.23 4.27 1.90 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 1.20 0.56 1.00 0.00 0.00 152 V 8.71 4.42 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 -0.09 0.00 0.00 153 H 8.40 4.02 0.00 2.28 2.63 0.00 5.74 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 A 8.27 5.09 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 0.00 155 S 8.57 3.97 0.00 4.23 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 0.00 156 I 8.47 3.55 1.81 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 1.26 0.53 0.87 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.