NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 3.8337 8.2893 120.0345 55.3083 32.2233 174.5530 2 D 4.6478 7.1876 123.7944 51.7597 41.5350 175.4260 3 K 4.4499 8.8364 114.9643 57.6530 30.7702 177.4084 4 V 4.2563 7.7202 115.9674 63.9180 33.2859 175.2994 5 L 4.9216 7.7643 115.7032 51.8167 45.8334 176.1940 6 N 4.5978 8.3905 118.1761 53.1145 40.9746 175.8159 7 R 3.6691 8.5178 124.4495 59.6588 30.0919 178.2698 8 E 3.8407 8.0431 118.1628 59.3232 29.6394 178.3280 9 E 3.8806 8.0506 118.1386 59.4156 29.7645 178.9682 10 S 3.8159 8.2260 114.4357 61.6605 62.6758 176.7207 11 L 3.7692 7.3415 122.0104 57.3057 41.3825 179.1510 12 Q 3.9324 8.0486 118.0481 59.1462 28.5017 178.7141 13 L 3.9631 7.7554 119.8320 58.7708 42.1699 178.5338 14 M 4.2415 7.7828 117.2446 58.8210 32.1981 177.9884 15 D 4.4171 8.0095 118.6062 57.2150 40.8241 178.0345 16 L 4.2925 7.7782 115.9231 55.4687 41.6564 177.6617 17 L 4.6449 7.5293 119.6926 53.4048 43.6222 175.5423 18 G 3.9063 8.2284 105.6623 47.0083 0.0000 173.0624 19 L 4.7894 7.5602 117.6360 52.3693 46.1952 174.9091 20 E 4.0930 8.7187 123.1613 56.8433 29.9861 177.0427 21 R 4.6114 8.4612 119.9685 56.1956 29.7066 177.4082 22 S 4.4144 8.0876 115.7957 61.0789 63.8751 175.9185 23 A 4.0605 7.7869 122.6143 53.6397 18.3183 176.4562 24 W 4.8045 7.7479 126.5667 59.9817 30.9026 173.8949 25 G 3.9643 9.5714 118.4623 46.5856 0.0000 174.7017 26 N 5.1214 9.0186 122.9963 53.0169 36.6965 175.1177 27 I 3.8786 8.3822 126.8580 63.6014 37.4243 175.4479 28 P 4.1335 0.0000 0.0000 65.8997 31.3995 178.3164 29 L 4.2149 8.0644 116.8066 58.1783 41.7083 179.0368 30 M 4.2644 7.8955 118.6928 58.8645 31.7633 178.5372 31 R 5.1071 9.0093 116.5352 55.9341 30.1207 177.2763 32 K 4.6311 8.6643 114.8070 56.6504 34.7765 176.4127 33 A 4.6405 8.0727 121.7903 52.6227 20.9496 178.2166 34 Y 4.0633 8.0013 117.0498 60.1007 39.0140 177.0205 35 L 4.2770 7.9387 116.0089 54.9189 41.1287 177.2375 36 K 4.4273 7.9146 120.3923 56.9715 34.5221 178.7334 37 K 3.9254 7.6480 116.7572 59.0422 31.9994 177.4797 38 C 4.4312 7.4198 110.8848 57.9488 29.6411 173.3020 39 K 4.4494 7.1932 119.3822 56.2162 31.9790 175.7407 40 E 4.3728 8.0437 119.8103 54.8519 32.1700 174.5703 *41 F 4.4283 8.6907 127.5248 55.6579 38.9988 173.3800 *51 K 4.2516 8.2755 131.2910 53.7377 33.0216 173.0132 52 M 4.4692 8.1261 116.2041 55.8859 31.7344 176.5349 53 K 4.5894 7.8188 117.6230 56.5913 33.3595 177.4357 54 K 4.0839 7.9842 122.2204 59.4061 32.1923 178.3010 55 M 4.1538 7.9898 118.3233 58.4914 32.2900 177.7282 56 N 4.4349 8.2251 116.2415 56.8142 38.7356 177.1998 57 T 3.9507 7.7257 113.8098 64.8392 67.3718 176.3147 58 L 4.0386 7.7593 121.0990 57.7193 41.9105 178.5146 59 Y 3.8746 8.6477 119.9702 60.5368 38.6912 178.1685 60 K 3.9323 8.1919 120.5610 59.4191 32.1367 178.7512 61 K 3.9240 7.6233 118.8610 59.3808 32.2572 178.3526 62 M 4.0706 8.3853 119.0328 58.6614 32.1647 177.5694 63 E 3.7013 8.6302 120.5837 59.5871 29.6651 178.7495 64 D 4.4287 8.2773 118.9640 57.2004 40.6558 178.8921 65 G 3.7008 7.8906 105.2901 47.6167 0.0000 175.6996 66 V 3.6157 7.5770 120.0944 65.8163 31.5307 178.2039 67 K 4.0033 7.5204 116.0043 58.8797 31.8931 178.3061 68 Y 4.2230 7.5038 117.9947 59.7279 38.9386 176.1970 69 A 4.1593 7.7443 119.4645 51.9071 18.9476 176.1929 70 H 4.6692 7.4847 114.3587 53.9861 31.7115 173.4659 *92 V 3.8912 7.6912 111.1377 61.3277 32.1692 174.1989 93 D 4.2853 8.8217 121.5769 55.3403 40.9337 177.2432 94 A 4.2115 8.4273 129.8654 51.8416 18.8959 176.2492 95 I 4.3748 8.0565 114.0398 60.0043 38.9566 176.7668 96 Y 3.8050 8.9102 123.1466 60.9310 38.3718 175.0846 97 C 4.6670 7.3249 117.3279 57.7945 32.6313 172.2578 98 K 4.0178 7.8064 123.2479 57.1591 33.0531 174.7212 99 Q 3.5082 8.8529 128.0192 55.2952 25.8339 172.9858 100 W 3.9562 8.1086 129.2909 59.5957 31.4470 175.8964 101 P 4.3137 0.0000 0.0000 65.9452 31.6656 177.7318 102 E 3.9332 8.2407 116.3863 59.8441 29.1985 179.0841 103 C 3.9434 7.6280 114.8543 62.9477 28.2841 176.0334 104 V 3.1398 6.8249 117.5280 64.8676 31.1683 177.3352 105 K 3.9242 8.2108 117.4270 57.5511 31.5138 179.1974 106 K 4.2753 5.6600 125.0250 56.4376 34.6248 177.0062 107 M 4.3259 8.1363 117.0566 55.2208 32.4715 176.0690 108 S 4.3687 7.9779 113.7619 57.9535 65.9777 174.7486 109 T 4.1383 8.3716 122.7773 64.5782 68.8296 174.7050 110 N 4.2160 8.7707 119.9161 53.7886 36.3814 173.8263 111 C 4.2831 7.5137 119.1782 58.7926 32.1027 174.5167 112 I 4.1393 8.0854 124.9300 60.7208 36.8714 175.1876 113 C 4.4610 7.4860 122.2690 59.7369 33.8573 171.1804 114 L 4.5669 7.7954 116.2924 56.2213 43.9758 179.6980 115 L 4.2864 7.6310 117.9710 58.7456 40.2652 179.0910 116 C 4.1298 7.9519 117.3660 62.3794 28.2044 175.3388 117 L 4.0313 8.0208 120.2392 58.2093 41.1755 179.6431 118 L 4.0919 7.8896 117.9866 57.7997 41.4182 179.5338 119 R 4.0285 8.2395 118.6563 59.2855 29.8633 178.5498 120 M 4.1798 9.0855 122.4030 58.9546 31.9257 179.3379 121 K 4.0545 7.9571 121.6552 59.1328 32.1680 180.1004 122 H 4.5587 8.0104 117.6963 59.8484 29.8260 176.4856 123 E 4.2240 7.7795 116.2607 57.7680 29.9921 177.6627 124 N 4.3098 8.1913 118.5808 56.6383 39.2781 176.6212 125 R 4.0518 7.7041 119.6109 58.7176 29.9750 178.2913 126 K 4.4137 7.5181 113.8642 57.2833 32.7767 177.4132 127 L 4.0204 7.5486 122.8035 58.0898 42.2215 177.2000 128 Y 4.6263 7.6302 114.7114 58.7816 38.6431 175.6677 129 R 4.5621 7.6615 119.3473 54.0672 31.6884 175.3352 130 K 4.0580 8.6960 127.2175 59.6123 32.5815 176.6017 131 D 4.4996 7.8557 118.1432 52.9335 41.3737 174.5850 132 P 4.2211 0.0000 0.0000 63.2216 31.4272 176.1915 133 L 4.2181 8.3263 122.1977 54.7487 42.6687 176.5165 134 V 4.5395 7.7080 113.3057 58.6769 35.7113 174.6362 135 W 4.5497 8.4123 130.6563 58.7782 30.8863 175.7663 136 V 2.0298 5.8631 121.5633 63.0223 29.8870 172.2795 137 D 4.8271 7.4849 114.5941 52.0220 42.8380 175.0337 138 C 4.8027 7.5242 118.1867 58.0569 34.4016 173.1702 139 Y 4.4317 8.6224 122.6610 57.7234 37.8167 175.4078 140 C 4.8816 8.0074 116.7409 57.8158 31.0952 174.2025 141 F 3.9208 8.7617 120.1934 61.2667 38.8941 176.6509 142 D 4.2249 8.0855 117.9850 57.8114 40.4951 178.2383 143 C 4.0493 8.2073 115.0441 63.1554 28.3817 175.8005 144 F 3.6916 8.0398 121.8263 61.0785 38.6950 177.1571 145 R 3.7208 7.9845 114.9076 58.0632 29.0083 177.6357 146 M 4.1677 7.5287 118.4699 57.0480 32.4936 177.2699 147 W 4.1983 7.3621 127.8348 59.0168 31.3360 176.6087 148 F 4.2143 6.6815 114.9963 56.9328 39.7615 176.2689 149 G 3.8374 8.1699 111.7682 44.4708 0.0000 173.4041 150 L 4.6513 7.2849 118.6120 53.0824 44.4353 176.9649 151 D 4.6852 8.2780 122.3779 52.3599 42.4840 176.2359 152 L 4.1392 8.1821 122.6683 56.1249 41.2231 175.5472 153 C 4.7403 8.2005 124.6028 57.9271 34.6335 174.8073 154 E 4.1807 9.0675 126.4258 58.9440 29.2486 179.3148 155 G 3.7264 8.3096 105.8308 48.1313 0.0000 175.6993 156 T 4.1084 7.9877 117.9245 66.4323 68.4837 176.3568 157 L 4.1443 7.8909 122.4143 58.2441 41.9831 178.8793 158 L 4.1649 7.8402 119.3805 57.6957 41.9315 178.6925 159 L 4.0148 7.8971 120.1351 57.6291 42.1987 178.2560 160 W 3.3079 8.3131 128.3412 60.5416 30.5591 177.3592 161 C 3.8036 8.7463 116.8521 63.2166 27.4148 176.1965 162 D 4.2974 8.0273 120.0443 57.3601 40.1477 178.7384 163 I 3.8117 8.0470 119.5356 63.5313 37.7472 177.6729 164 I 3.8344 7.3634 113.3312 63.0105 37.9447 178.0411 165 G 3.7910 8.3164 106.6596 46.7311 0.0000 174.8525 166 Q 4.2831 7.4256 119.1426 56.9856 29.8401 176.4926 167 T 3.9351 6.8325 112.8868 61.7188 68.0641 175.0755 168 T 4.2626 7.9137 118.1103 61.5393 70.9386 173.3849 169 Y 4.0741 8.6793 118.4751 59.1360 37.0910 176.0953 170 R 4.3908 7.3662 111.7585 56.9006 29.9028 178.3891 171 D 4.7927 8.3616 115.5881 54.1545 43.8499 176.3830 172 L 4.3292 7.6365 123.0022 55.6891 42.4702 173.8210 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 1 M 8.29 3.83 0.00 1.75 1.92 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 2 D 7.19 4.65 0.00 3.07 3.10 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 3 K 8.84 4.45 0.00 1.91 1.92 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.40 1.44 7.81 4 V 7.72 4.26 2.33 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 0.85 0.00 0.00 0.93 0.00 0.00 5 L 7.76 4.92 0.00 1.81 1.51 0.96 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 6 N 8.39 4.60 0.00 3.00 2.65 0.00 0.00 7.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.52 3.67 0.00 1.89 1.88 0.00 3.38 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 8 E 8.04 3.84 0.00 2.08 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 2.35 2.58 0.00 9 E 8.05 3.88 0.00 2.21 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 2.38 2.34 0.00 10 S 8.23 3.82 0.00 2.72 3.59 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 0.00 0.00 0.00 0.00 11 L 7.34 3.77 0.00 1.84 1.65 0.84 0.51 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 12 Q 8.05 3.93 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.70 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 13 L 7.76 3.96 0.00 1.62 1.99 1.09 0.92 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 14 M 7.78 4.24 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.73 0.00 15 D 8.01 4.42 0.00 2.96 2.70 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 16 L 7.78 4.29 0.00 1.81 1.75 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.53 4.64 0.00 1.86 1.85 1.15 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.23 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 0.00 0.00 0.00 19 L 7.56 4.79 0.00 1.62 1.56 1.03 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.72 4.09 0.00 2.12 1.87 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 2.41 2.41 0.00 21 R 8.46 4.61 0.00 2.01 2.03 0.00 3.06 0.00 0.00 3.49 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 22 S 8.09 4.41 0.00 4.05 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 23 A 7.79 4.06 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 24 W 7.75 4.80 0.00 3.45 3.40 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 25 G 9.57 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 0.00 0.00 0.00 26 N 9.02 5.12 0.00 2.94 3.06 0.00 0.00 7.29 7.33 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 27 I 8.38 3.88 2.01 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 1.71 1.08 0.98 0.00 0.00 28 P 0.00 4.13 0.00 2.23 2.37 0.00 4.00 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 2.18 2.31 0.00 29 L 8.06 4.21 0.00 1.98 1.81 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 30 M 7.90 4.26 0.00 2.26 2.45 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.02 2.84 0.00 31 R 9.01 5.11 0.00 1.99 2.08 0.00 3.60 0.00 0.00 3.23 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.74 0.00 32 K 8.66 4.63 0.00 1.80 1.89 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.59 1.43 7.81 33 A 8.07 4.64 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 34 Y 8.00 4.06 0.00 2.67 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.94 4.28 0.00 1.71 1.68 1.03 0.86 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 36 K 7.91 4.43 0.00 1.75 1.69 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.29 1.37 7.81 37 K 7.65 3.93 0.00 1.67 1.72 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.51 7.81 38 C 7.42 4.43 0.00 2.89 2.71 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 39 K 7.19 4.45 0.00 1.65 1.90 0.00 1.81 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.31 7.81 40 E 8.04 4.37 0.00 1.87 1.72 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 2.16 2.27 0.00 *41 F 8.69 4.43 0.00 2.32 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 0.00 0.00 0.00 0.00 *51 K 8.28 4.25 0.00 1.79 1.75 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 52 M 8.13 4.47 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.47 0.00 53 K 7.82 4.59 0.00 1.99 2.04 0.00 1.40 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.38 1.45 7.81 54 K 7.98 4.08 0.00 1.83 1.86 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.49 1.44 7.81 55 M 7.99 4.15 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.93 0.00 56 N 8.23 4.43 0.00 2.85 2.93 0.00 0.00 6.76 7.05 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 57 T 7.73 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 1.32 0.00 0.00 58 L 7.76 4.04 0.00 2.02 1.74 0.93 0.64 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 59 Y 8.65 3.87 0.00 3.04 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.19 3.93 0.00 1.99 1.80 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.45 7.81 61 K 7.62 3.92 0.00 1.94 1.98 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.43 7.81 62 M 8.39 4.07 0.00 1.88 1.99 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.66 0.00 63 E 8.63 3.70 0.00 2.00 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 2.30 2.36 0.00 64 D 8.28 4.43 0.00 2.96 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 65 G 7.89 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 66 V 7.58 3.62 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 0.88 0.00 0.00 0.87 0.00 0.00 67 K 7.52 4.00 0.00 1.71 1.84 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.58 7.81 68 Y 7.50 4.22 0.00 2.97 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 69 A 7.74 4.16 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 H 7.48 4.67 0.00 3.06 3.19 0.00 5.75 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 *92 V 7.69 3.89 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 0.68 0.00 0.00 0.95 0.00 0.00 93 D 8.82 4.29 0.00 2.69 2.70 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 94 A 8.43 4.21 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 95 I 8.06 4.37 1.97 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 1.43 0.85 1.00 0.00 0.00 96 Y 8.91 3.81 0.00 3.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 C 7.32 4.67 0.00 2.34 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 98 K 7.81 4.02 0.00 1.79 1.70 0.00 1.98 0.00 0.00 1.65 0.00 0.00 2.76 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.50 7.81 99 Q 8.85 3.51 0.00 2.33 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 100 W 8.11 3.96 0.00 3.42 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.31 0.00 2.23 2.15 0.00 3.80 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.31 0.00 102 E 8.24 3.93 0.00 2.03 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 2.41 2.49 0.00 103 C 7.63 3.94 0.00 2.80 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 6.82 3.14 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 0.40 0.00 0.00 0.61 0.00 0.00 105 K 8.21 3.92 0.00 1.90 1.59 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.56 7.81 106 K 5.66 4.28 0.00 1.89 1.83 0.00 1.59 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.35 7.81 107 M 8.14 4.33 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.49 0.00 108 S 7.98 4.37 0.00 3.83 3.75 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 0.00 109 T 8.37 4.14 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 1.21 0.00 0.00 110 N 8.77 4.22 0.00 2.86 2.95 0.00 0.00 6.93 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 0.00 111 C 7.51 4.28 0.00 3.08 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 0.00 112 I 8.09 4.14 1.88 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 1.31 0.59 0.91 0.00 0.00 113 C 7.49 4.46 0.00 2.93 2.99 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 0.00 114 L 7.80 4.57 0.00 1.63 1.54 0.16 0.51 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 0.00 115 L 7.63 4.29 0.00 1.57 1.77 0.70 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 116 C 7.95 4.13 0.00 2.96 2.99 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 0.00 117 L 8.02 4.03 0.00 1.90 1.76 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 118 L 7.89 4.09 0.00 2.03 1.90 0.99 0.89 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 0.00 119 R 8.24 4.03 0.00 1.97 1.96 0.00 3.26 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 120 M 9.09 4.18 0.00 1.99 2.29 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.69 0.00 121 K 7.96 4.05 0.00 1.86 1.73 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.33 7.81 122 H 8.01 4.56 0.00 3.36 3.48 0.00 5.74 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 7.78 4.22 0.00 2.18 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 2.32 2.36 0.00 124 N 8.19 4.31 0.00 2.89 2.83 0.00 0.00 7.18 8.50 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 0.00 125 R 7.70 4.05 0.00 2.11 1.90 0.00 3.37 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.76 0.00 126 K 7.52 4.41 0.00 1.81 1.81 0.00 1.55 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.35 7.81 127 L 7.55 4.02 0.00 1.25 1.01 0.79 0.89 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 0.00 128 Y 7.63 4.63 0.00 2.99 2.86 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 0.00 129 R 7.66 4.56 0.00 1.78 1.80 0.00 3.22 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 130 K 8.70 4.06 0.00 1.77 1.83 0.00 1.84 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.47 7.81 131 D 7.86 4.50 0.00 2.69 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 0.00 132 P 0.00 4.22 0.00 2.19 2.11 0.00 3.77 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 2.01 2.03 0.00 133 L 8.33 4.22 0.00 1.70 1.65 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 134 V 7.71 4.54 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 0.94 0.00 0.00 0.64 0.00 0.00 135 W 8.41 4.55 0.00 3.10 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 0.00 0.00 0.00 136 V 5.86 2.03 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 0.36 0.00 0.00 -0.18 0.00 0.00 137 D 7.48 4.83 0.00 2.48 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 0.00 138 C 7.52 4.80 0.00 2.96 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 0.00 139 Y 8.62 4.43 0.00 2.89 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 0.00 140 C 8.01 4.88 0.00 3.32 3.28 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 0.00 141 F 8.76 3.92 0.00 2.37 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 0.00 142 D 8.09 4.22 0.00 2.74 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 0.00 143 C 8.21 4.05 0.00 3.18 3.27 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 0.00 144 F 8.04 3.69 0.00 3.30 3.10 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 0.00 145 R 7.98 3.72 0.00 2.00 1.75 0.00 2.29 0.00 0.00 2.95 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.38 0.00 146 M 7.53 4.17 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.59 0.00 147 W 7.36 4.20 0.00 3.15 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 0.00 0.00 0.00 0.00 148 F 6.68 4.21 0.00 2.52 2.62 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 0.00 149 G 8.17 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 0.00 0.00 0.00 150 L 7.28 4.65 0.00 1.62 1.54 0.68 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 151 D 8.28 4.69 0.00 2.66 2.59 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 0.00 0.00 0.00 0.00 152 L 8.18 4.14 0.00 1.64 1.67 0.96 0.97 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 0.00 153 C 8.20 4.74 0.00 2.99 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 0.00 154 E 9.07 4.18 0.00 2.17 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 2.47 2.39 0.00 155 G 8.31 3.73 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 0.00 0.00 0.00 156 T 7.99 4.11 4.71 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 1.56 0.00 0.00 157 L 7.89 4.14 0.00 1.72 1.86 0.71 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 158 L 7.84 4.16 0.00 1.90 1.93 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 159 L 7.90 4.01 0.00 1.87 2.00 0.81 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 160 W 8.31 3.31 0.00 2.68 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 0.00 161 C 8.75 3.80 0.00 2.93 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 0.00 162 D 8.03 4.30 0.00 2.93 2.71 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 0.00 163 I 8.05 3.81 2.16 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.08 1.11 0.00 0.00 164 I 7.36 3.83 1.39 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.64 0.11 0.00 0.00 165 G 8.32 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 Q 7.43 4.28 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.59 0.00 167 T 6.83 3.94 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 0.65 0.00 0.00 168 T 7.91 4.26 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 1.22 0.00 0.00 169 Y 8.68 4.07 0.00 2.85 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 0.00 170 R 7.37 4.39 0.00 1.83 1.79 0.00 3.20 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.21 0.00 171 D 8.36 4.79 0.00 2.44 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 L 7.64 4.33 0.00 1.74 1.65 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.