NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.9182 8.2133 109.7703 45.5386 0.0000 175.6524 *2 F 4.7040 7.9125 118.3161 57.6387 41.1048 177.3875 3 V 3.8892 8.2265 119.1555 66.3495 31.4776 177.9223 4 Q 4.0668 8.2442 117.8088 59.0309 28.5446 179.1388 5 S 4.1405 8.1210 115.4723 61.5849 63.1193 176.3983 6 A 3.9872 8.0636 123.3329 55.2620 18.0379 179.7526 7 L 4.0676 8.2678 117.6937 58.0266 41.5596 179.2551 8 H 4.1662 8.4852 118.4499 59.3042 29.9376 177.3586 9 Q 4.0087 8.1053 119.8480 58.7159 28.4425 178.5702 10 L 3.7380 7.8052 120.8966 58.0455 42.1836 178.9044 11 K 3.1371 8.0941 119.8787 59.1702 31.9712 178.7774 12 V 3.4333 7.8653 118.5699 65.8689 31.4244 177.8921 13 A 3.7104 7.5574 119.9866 54.8697 18.0661 179.7185 14 V 3.4450 7.3112 116.7200 66.2297 31.6405 177.8573 15 D 4.3393 8.2328 119.1540 57.7095 40.4899 179.1531 16 T 3.9481 7.7191 108.8491 64.9584 68.8344 176.5010 17 S 4.4207 8.1226 117.2089 61.3893 62.7018 176.4218 18 I 4.0373 8.0306 122.7126 64.2289 35.7047 178.5786 19 Q 4.0772 8.0091 116.9765 56.4224 28.2758 177.8715 *21 L 4.3212 7.9457 124.4309 55.1623 43.7721 178.3928 22 D 4.3919 7.7073 116.7756 56.8158 40.7867 177.1823 23 Q 3.9923 7.3087 116.6701 56.8291 28.8215 175.0966 24 Y 4.9205 7.3681 114.9325 55.7309 42.0960 174.9363 25 T 4.6563 8.2961 111.3582 59.6839 72.6605 174.9525 26 E 4.1047 8.7024 121.2765 59.7666 29.3765 178.9912 27 I 3.6477 7.6754 119.0391 64.4340 37.2350 177.7251 28 D 4.4395 7.9347 119.3024 57.6580 40.4845 179.1987 29 L 4.0466 7.6632 117.4692 57.6741 41.7663 179.4161 30 K 4.1478 7.8565 117.4749 59.5670 32.1034 179.2870 31 I 3.9027 8.0002 118.8261 62.3802 37.4025 176.6946 32 A 3.9982 7.2356 122.2417 51.9410 18.7227 175.3827 33 P 4.1822 0.0000 0.0000 65.8464 30.7548 175.5721 34 I 2.8954 7.3400 121.8955 58.2018 35.8332 173.7672 35 Q 4.4801 8.3188 122.1657 56.1223 25.9312 176.6530 36 S 4.3715 8.0139 115.9385 58.4565 63.4773 175.9666 37 K 4.0451 8.5935 123.3589 56.9424 31.5572 178.2010 38 R 4.9085 7.1224 115.0190 54.2829 32.9111 175.4520 39 S 4.5121 8.8057 115.1172 57.4921 64.0364 175.4017 40 L 4.1090 8.4217 120.7628 57.8798 41.8021 179.0458 41 F 4.1873 8.0145 117.7457 61.4755 39.6018 178.4368 42 E 4.2511 8.0954 117.9250 57.1324 28.9496 178.3746 *44 Y 4.1538 8.0412 122.0322 57.5273 40.5955 176.8664 45 A 3.9091 8.1731 120.8843 55.3512 18.7758 178.6944 46 H 4.3412 8.2967 116.6729 59.4440 29.9348 177.0817 47 L 3.6984 7.8899 121.8192 58.1627 41.6245 178.9480 48 S 4.3186 7.9863 112.8048 60.7344 63.1981 175.4853 49 L 4.4862 7.7255 121.1007 55.2044 41.7159 178.4911 50 I 3.7076 7.5221 120.8108 64.7024 36.9912 177.7852 51 C 4.1869 8.2655 116.7884 63.2147 28.0200 175.8751 52 H 4.1325 8.2874 116.8105 58.7973 28.4082 177.3934 53 A 3.7001 8.3626 122.7547 55.5186 18.3463 179.5128 54 D 4.8066 8.4341 117.0764 57.4297 40.8402 178.9673 55 L 4.1915 7.9671 121.0459 58.0232 42.1245 178.9180 56 L 3.9179 8.0280 118.9949 57.7829 41.4265 179.3967 57 I 3.7190 8.1808 120.0886 64.5015 36.8953 178.0850 58 L 3.5632 7.6225 119.4333 57.7548 41.8655 177.5026 59 N 4.8507 7.8338 114.6831 53.2755 39.5397 175.9050 60 G 3.8562 7.5617 106.6294 46.0262 0.0000 174.9249 61 S 4.3152 7.8810 115.7122 58.2605 63.4982 175.1764 62 T 4.2228 8.1690 114.6875 60.8164 70.9547 175.4169 63 E 2.6129 8.0939 121.5807 59.0245 29.4379 178.4619 64 K 3.7259 7.9348 118.9888 59.8012 32.0489 177.8753 65 E 3.9562 8.0497 118.9695 59.2870 29.5314 178.7577 66 L 4.2041 7.9190 118.9821 58.1963 41.6802 179.1773 67 H 4.2673 8.8529 116.5737 59.3345 28.6334 178.0341 68 T 3.9313 8.3892 117.8129 66.4152 68.2431 176.4384 69 F 4.1274 8.7039 122.9917 61.7159 39.5154 176.8237 70 Y 3.9663 8.7533 119.1216 61.3915 37.4174 179.2916 71 K 4.0501 8.1974 124.0065 59.6395 32.0151 180.2540 72 E 4.5835 8.3456 116.3515 56.5306 30.2902 176.4813 73 Q 4.3111 7.5369 116.7156 55.4297 30.2014 175.7338 74 T 3.8177 7.1927 115.5839 62.7462 68.6650 172.4521 75 P 4.2734 0.0000 0.0000 63.4888 31.7509 175.9738 76 E 4.9057 8.7816 119.4705 56.3956 30.2533 175.7832 77 T 5.0075 7.4522 108.4777 59.8745 71.8813 174.9359 78 I 3.4100 8.5329 123.2499 64.3544 37.7289 177.8845 79 A 4.1621 8.1811 123.4174 55.2939 18.6473 180.3065 80 Q 4.3760 7.4123 114.7005 56.3908 28.3028 178.3623 *82 Q 4.3049 8.1746 118.4542 57.2375 31.2131 177.3464 83 K 4.1515 8.3800 117.2847 60.0383 32.2436 180.2282 84 T 3.9266 8.0524 112.1481 64.5252 67.9026 176.2090 *86 I 4.1793 7.8881 124.4115 61.6546 39.2676 178.1180 87 Q 4.1392 8.2972 119.3170 58.8663 28.3500 179.1790 88 G 3.3471 8.4973 107.1526 47.6903 0.0000 175.1327 89 Y 3.9512 7.9674 121.5592 60.5257 38.8696 177.6335 90 D 4.2281 8.3149 119.8748 57.3750 40.9395 178.7445 91 L 3.8671 7.8738 120.6706 57.8895 42.0167 178.7695 92 L 3.9829 7.9946 120.7463 58.0186 42.0477 179.1444 93 S 3.9424 7.9704 114.5326 61.4799 62.7604 176.3939 94 K 3.8574 7.7271 121.3625 59.2235 32.0220 179.1986 95 T 3.6503 7.7105 115.6731 66.7074 68.3011 176.8968 96 F 3.7942 8.2642 119.6165 60.3161 38.7030 177.5582 97 L 4.1934 8.2551 118.0250 56.7856 41.5325 178.7862 98 S 4.2727 7.4546 113.3045 59.2887 63.6496 174.0881 99 Y 4.7916 6.8748 121.2945 57.5094 38.4785 176.2139 100 S 4.5580 9.1315 119.8668 57.7757 65.5624 175.1673 101 N 4.4081 8.6930 118.9894 56.5703 37.9159 177.5308 102 E 3.9567 8.0321 118.7334 59.5103 29.8669 178.8866 103 Q 3.9875 8.1875 118.0948 58.8736 28.7677 178.7812 104 L 4.0791 8.4749 120.1887 57.3715 41.4247 178.8372 105 A 4.2912 7.6569 119.0233 55.2096 19.6116 178.8485 106 E 4.1211 7.7736 118.2486 55.7475 31.5197 175.4928 *108 K 4.2414 8.5660 115.3644 56.8303 34.1023 174.9118 109 T 4.7194 8.1518 120.0091 61.6005 69.9189 174.8430 110 A 3.5331 8.0782 129.8193 51.2511 18.8599 177.5838 111 Y 4.1867 8.0089 118.4476 59.9701 37.7589 177.7434 112 W 4.5076 7.1924 114.3121 56.4105 28.0949 177.0892 113 G 3.8664 8.1074 107.5306 45.7692 0.0000 174.0280 114 I 4.0641 6.8420 120.7729 60.3675 38.3747 174.6255 115 S 5.1643 7.8865 119.4260 57.1217 65.4283 172.9214 116 Y 5.1663 8.4249 119.4016 56.3359 42.3233 175.1647 117 S 4.6230 9.1654 116.3391 58.1565 64.5288 175.6204 118 R 4.1265 8.7048 119.9892 59.4269 29.7914 179.3267 119 F 4.1997 8.6354 120.4627 61.3994 39.4592 176.8464 120 E 4.0481 8.6138 118.2926 59.4859 29.3536 179.3299 121 W 3.9643 8.6577 128.3339 60.1413 30.7139 177.7334 122 L 3.4377 7.7435 120.4692 57.9571 41.3316 179.0589 123 L 3.7881 7.3324 118.5681 57.5854 41.3710 179.3360 124 E 3.7498 7.6911 118.6976 58.9834 29.0908 179.4737 125 I 3.3834 6.9615 119.9777 64.0892 37.1752 178.3952 126 V 3.6123 7.4919 118.8324 66.0749 31.2972 177.8404 127 A 4.0434 8.0238 120.3296 55.3886 18.1987 178.8636 128 H 4.0330 8.3614 116.9319 59.5042 29.8245 177.2150 129 F 3.8453 8.5328 122.4292 61.6180 39.2280 176.7668 130 Y 4.0470 8.4211 116.4320 61.1158 37.5740 177.8033 131 H 4.1190 8.8513 119.7095 59.8425 30.1906 177.0784 132 H 4.0355 8.5779 117.9345 58.8149 28.4473 177.8974 133 R 3.7650 8.2942 121.0690 59.1174 29.9439 178.8859 134 G 3.5542 8.3150 105.9079 47.5945 0.0000 175.7266 135 Q 3.9380 7.9044 120.3975 58.8015 28.7546 179.0538 136 I 3.5755 7.4006 120.1443 64.6187 37.1594 177.7257 137 H 4.0512 8.2671 119.1643 59.6169 29.6068 177.0210 138 I 3.7503 7.7090 119.6353 63.9027 37.7941 177.8230 139 L 4.0886 7.7593 119.9701 57.4904 41.1395 179.5287 140 L 3.8509 7.7620 118.2989 58.1242 41.7130 179.0723 141 C 4.2712 7.7094 115.0417 62.6691 28.0198 175.7640 142 E 4.1454 7.9935 119.6074 58.5112 29.2244 177.3730 143 H 4.7181 7.8579 114.9423 56.1748 29.6348 174.4387 *145 K 4.1535 7.7430 120.0309 54.0882 32.9329 178.8344 146 D 4.5923 8.5639 120.9648 53.4287 41.7953 174.8668 147 P 4.7415 0.0000 0.0000 61.9716 33.7830 174.1918 148 N 4.9590 8.4330 114.5177 52.2925 41.9144 174.5019 149 I 4.0641 8.5112 122.8676 61.5161 37.3868 175.6326 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 G 8.21 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 *2 F 7.91 4.70 0.00 3.06 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 3 V 8.23 3.89 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 1.41 0.00 0.00 1.34 0.00 0.00 4 Q 8.24 4.07 0.00 2.34 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.28 0.00 5 S 8.12 4.14 0.00 4.13 3.96 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 6 A 8.06 3.99 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 7 L 8.27 4.07 0.00 1.79 1.90 0.97 1.01 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 8 H 8.49 4.17 0.00 3.34 3.47 0.00 5.59 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 9 Q 8.11 4.01 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.56 2.49 0.00 10 L 7.81 3.74 0.00 1.84 1.90 0.59 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.09 3.14 0.00 1.30 1.65 0.00 0.99 0.00 0.00 0.61 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.13 1.28 7.81 12 V 7.87 3.43 2.24 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 0.98 0.00 0.00 0.80 0.00 0.00 13 A 7.56 3.71 0.43 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 14 V 7.31 3.45 1.79 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 0.93 0.00 0.00 0.58 0.00 0.00 15 D 8.23 4.34 0.00 2.58 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 16 T 7.72 3.95 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 1.28 0.00 0.00 17 S 8.12 4.42 0.00 4.24 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 18 I 8.03 4.04 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.11 0.99 0.00 0.00 19 Q 8.01 4.08 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.38 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 *21 L 7.95 4.32 0.00 1.84 1.84 -0.27 1.13 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 22 D 7.71 4.39 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 23 Q 7.31 3.99 0.00 1.49 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.71 0.00 0.00 0.00 0.00 0.00 2.47 2.36 0.00 24 Y 7.37 4.92 0.00 2.88 2.83 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 25 T 8.30 4.66 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 1.22 0.00 0.00 26 E 8.70 4.10 0.00 2.15 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 2.19 2.13 0.00 27 I 7.68 3.65 1.87 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 1.62 0.39 0.90 0.00 0.00 28 D 7.93 4.44 0.00 3.00 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 29 L 7.66 4.05 0.00 1.90 1.98 0.83 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 30 K 7.86 4.15 0.00 1.69 1.75 0.00 1.32 0.00 0.00 1.38 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.07 1.09 7.81 31 I 8.00 3.90 2.08 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 1.44 0.33 0.91 0.00 0.00 32 A 7.24 4.00 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 33 P 0.00 4.18 0.00 2.16 2.19 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 1.99 2.03 0.00 34 I 7.34 2.90 1.80 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.64 0.89 0.00 0.00 35 Q 8.32 4.48 0.00 2.13 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 7.03 0.00 0.00 0.00 0.00 0.00 2.10 1.81 0.00 36 S 8.01 4.37 0.00 3.84 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.59 4.05 0.00 1.77 1.74 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.36 1.05 7.81 38 R 7.12 4.91 0.00 1.75 1.88 0.00 3.08 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 39 S 8.81 4.51 0.00 4.23 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 40 L 8.42 4.11 0.00 1.87 1.82 0.83 0.78 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 41 F 8.01 4.19 0.00 3.25 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 42 E 8.10 4.25 0.00 2.23 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 *44 Y 8.04 4.15 0.00 3.14 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 45 A 8.17 3.91 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.30 4.34 0.00 3.37 3.30 0.00 5.80 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.89 3.70 0.00 1.45 1.57 0.13 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 48 S 7.99 4.32 0.00 4.14 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 49 L 7.73 4.49 0.00 2.00 1.75 0.62 0.46 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 50 I 7.52 3.71 2.03 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 1.26 0.88 0.88 0.00 0.00 51 C 8.27 4.19 0.00 3.05 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 52 H 8.29 4.13 0.00 3.56 3.33 0.00 5.82 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 53 A 8.36 3.70 1.50 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 54 D 8.43 4.81 0.00 2.96 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 55 L 7.97 4.19 0.00 1.91 1.87 1.03 1.01 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 56 L 8.03 3.92 0.00 1.79 1.59 -0.04 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.18 3.72 2.22 0.00 0.00 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 1.81 1.83 0.38 0.00 0.00 58 L 7.62 3.56 0.00 1.73 1.99 0.90 1.30 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 59 N 7.83 4.85 0.00 2.81 2.79 0.00 0.00 7.10 7.75 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 60 G 7.56 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 61 S 7.88 4.32 0.00 3.92 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 62 T 8.17 4.22 4.17 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 1.19 0.00 0.00 63 E 8.09 2.61 0.00 1.38 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 2.05 2.07 0.00 64 K 7.93 3.73 0.00 1.80 1.77 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.52 7.81 65 E 8.05 3.96 0.00 2.11 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 2.31 2.39 0.00 66 L 7.92 4.20 0.00 2.02 2.06 1.16 1.30 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 67 H 8.85 4.27 0.00 3.33 3.42 0.00 5.64 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 68 T 8.39 3.93 4.46 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 1.26 0.00 0.00 69 F 8.70 4.13 0.00 3.13 3.23 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 0.00 0.00 0.00 0.00 70 Y 8.75 3.97 0.00 3.07 2.98 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 0.00 0.00 0.00 71 K 8.20 4.05 0.00 1.85 1.73 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.33 7.81 72 E 8.35 4.58 0.00 2.05 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 2.34 2.27 0.00 73 Q 7.54 4.31 0.00 1.07 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.87 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 74 T 7.19 3.82 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 75 P 0.00 4.27 0.00 1.96 1.98 0.00 3.72 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 76 E 8.78 4.91 0.00 1.99 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 2.30 2.47 0.00 77 T 7.45 5.01 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 1.31 0.00 0.00 78 I 8.53 3.41 1.90 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 1.26 0.68 0.86 0.00 0.00 79 A 8.18 4.16 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 80 Q 7.41 4.38 0.00 2.08 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.34 0.00 0.00 0.00 0.00 0.00 2.55 2.33 0.00 *82 Q 8.17 4.30 0.00 2.25 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.35 7.09 0.00 0.00 0.00 0.00 0.00 2.29 2.58 0.00 83 K 8.38 4.15 0.00 1.83 1.89 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.65 7.81 84 T 8.05 3.93 4.32 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 1.33 0.00 0.00 *86 I 7.89 4.18 1.92 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 1.63 0.89 0.97 0.00 0.00 87 Q 8.30 4.14 0.00 2.37 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 88 G 8.50 3.35 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 0.00 89 Y 7.97 3.95 0.00 3.08 3.15 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 90 D 8.31 4.23 0.00 2.96 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 91 L 7.87 3.87 0.00 1.84 1.71 0.89 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 92 L 7.99 3.98 0.00 1.87 1.67 1.18 0.91 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 93 S 7.97 3.94 0.00 3.82 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 94 K 7.73 3.86 0.00 1.70 1.85 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.60 1.59 7.81 95 T 7.71 3.65 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 0.65 0.00 0.00 96 F 8.26 3.79 0.00 3.26 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 97 L 8.26 4.19 0.00 1.58 1.73 0.93 0.92 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 98 S 7.45 4.27 0.00 3.93 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 99 Y 6.87 4.79 0.00 3.10 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 0.00 100 S 9.13 4.56 0.00 4.18 4.05 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 0.00 0.00 0.00 101 N 8.69 4.41 0.00 2.80 2.90 0.00 0.00 6.81 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 0.00 102 E 8.03 3.96 0.00 1.91 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 2.31 2.45 0.00 103 Q 8.19 3.99 0.00 2.37 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 104 L 8.47 4.08 0.00 1.88 1.89 1.10 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 105 A 7.66 4.29 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 0.00 106 E 7.77 4.12 0.00 1.98 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 *108 K 8.57 4.24 0.00 1.61 1.60 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.74 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.32 7.81 109 T 8.15 4.72 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 1.02 0.00 0.00 110 A 8.08 3.53 -0.69 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 0.00 111 Y 8.01 4.19 0.00 3.04 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 0.00 112 W 7.19 4.51 0.00 3.35 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 0.00 113 G 8.11 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 0.00 114 I 6.84 4.06 1.96 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 1.74 1.44 0.59 0.00 0.00 115 S 7.89 5.16 0.00 3.55 3.61 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 0.00 116 Y 8.42 5.17 0.00 2.93 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 0.00 117 S 9.17 4.62 0.00 4.24 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 0.00 118 R 8.70 4.13 0.00 2.09 2.04 0.00 2.21 0.00 0.00 2.66 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 119 F 8.64 4.20 0.00 3.29 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 0.00 120 E 8.61 4.05 0.00 2.57 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 2.51 2.55 0.00 121 W 8.66 3.96 0.00 3.38 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 0.00 122 L 7.74 3.44 0.00 0.65 1.13 0.21 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 123 L 7.33 3.79 0.00 1.76 1.56 1.01 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 124 E 7.69 3.75 0.00 1.16 1.21 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 2.33 2.19 0.00 125 I 6.96 3.38 1.72 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.82 0.85 0.00 0.00 126 V 7.49 3.61 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 1.07 0.00 0.00 0.89 0.00 0.00 127 A 8.02 4.04 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 0.00 128 H 8.36 4.03 0.00 3.27 3.44 0.00 5.61 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 F 8.53 3.85 0.00 3.18 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 0.00 130 Y 8.42 4.05 0.00 3.19 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 0.00 131 H 8.85 4.12 0.00 3.38 3.55 0.00 5.79 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 0.00 132 H 8.58 4.04 0.00 3.21 3.22 0.00 5.87 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 0.00 133 R 8.29 3.76 0.00 1.61 1.91 0.00 3.13 0.00 0.00 2.99 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 134 G 8.31 3.55 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 0.00 0.00 0.00 135 Q 7.90 3.94 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 136 I 7.40 3.58 1.75 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.62 0.72 0.00 0.00 137 H 8.27 4.05 0.00 3.27 3.46 0.00 5.58 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 I 7.71 3.75 1.89 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 1.52 1.05 0.96 0.00 0.00 139 L 7.76 4.09 0.00 1.91 1.71 0.92 0.94 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 0.00 140 L 7.76 3.85 0.00 1.75 1.67 0.88 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 141 C 7.71 4.27 0.00 3.05 2.97 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 0.00 142 E 7.99 4.15 0.00 1.88 1.65 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 2.36 2.43 0.00 143 H 7.86 4.72 0.00 3.08 3.27 0.00 5.88 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *145 K 7.74 4.15 0.00 1.80 1.64 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 146 D 8.56 4.59 0.00 2.66 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 0.00 147 P 0.00 4.74 0.00 2.37 2.37 0.00 3.80 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 2.10 2.15 0.00 148 N 8.43 4.96 0.00 2.68 2.73 0.00 0.00 6.75 7.45 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 0.00 149 I 8.51 4.06 1.90 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.57 0.95 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.