NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.6597 8.4444 118.9496 56.9023 31.3251 174.1893 5 S 4.5848 8.5899 113.1846 56.1174 66.2061 172.8532 6 F 4.8295 9.2950 128.4916 58.6202 40.6981 172.9515 7 Y 4.4582 8.4240 126.8501 55.5701 41.1329 174.7662 8 G 3.9751 7.7476 113.7622 45.0213 0.0000 171.9232 9 V 4.5818 8.2233 119.2521 59.4161 35.9636 174.9460 10 T 5.1253 8.5089 119.3254 61.8458 71.0236 173.5920 11 L 5.1159 8.8795 125.7736 53.2795 45.1150 175.7280 12 T 5.1428 8.7642 112.0933 59.9893 72.5303 174.7210 13 A 4.0969 8.7101 123.7674 55.3940 18.4468 179.0370 14 E 4.1569 8.0610 113.8992 59.0621 29.9802 177.5848 15 S 4.5860 7.8320 113.5705 57.1769 63.2501 173.0125 16 D 4.8953 8.1928 120.8891 52.4410 40.8620 176.0857 17 S 5.3416 7.8210 113.3687 57.0387 65.7145 173.2210 18 V 4.7426 8.9684 124.6757 60.4260 34.9912 174.1998 19 T 5.1335 8.6823 118.0593 61.5770 72.1112 173.0798 20 W 4.7279 9.5802 135.0000 55.8738 32.9767 174.1855 21 D 4.3186 8.1632 126.9532 51.9820 41.9944 176.0137 22 V 3.8035 7.0459 131.2459 60.9482 30.9523 177.8809 *27 A 4.2167 8.6892 126.4815 52.9611 20.0847 177.0190 28 R 3.9347 7.8420 114.6451 57.9207 30.2708 176.9575 29 G 4.0093 8.8978 112.9676 45.5843 0.0000 173.3694 30 Q 4.4602 7.7357 122.7510 55.9124 30.4600 174.9628 31 K 5.2936 8.9247 124.6858 55.4176 36.6954 174.4987 32 L 4.3685 8.7163 125.7596 53.3108 43.8757 174.8683 33 V 4.5214 8.2955 126.9514 61.2692 33.8918 174.2785 34 I 4.4020 8.7937 129.7573 60.1618 38.0782 176.4028 35 K 4.1961 9.0925 128.1084 58.4335 33.6330 177.0922 36 Q 4.9332 7.8489 119.0571 54.6140 33.2146 173.5520 37 I 4.9502 8.8328 125.3397 59.5511 40.7330 173.9945 38 L 5.2197 9.0914 129.8315 53.0125 45.0089 174.7663 39 L 4.4554 8.7487 128.7746 53.8199 42.9444 176.7209 40 G 3.8978 8.7844 114.0615 46.1316 0.0000 174.4101 41 A 4.1783 8.8708 124.6748 54.9647 18.5558 178.8354 42 E 4.1592 8.1117 112.6446 57.1780 30.0869 176.9198 43 A 4.2132 7.4119 121.7213 51.1424 19.0888 177.3924 44 K 3.9504 8.5233 122.7307 56.0263 32.8529 175.9620 45 E 4.0002 8.6502 126.9660 57.6760 29.9729 175.7615 46 N 3.9364 8.4017 122.1151 54.0274 38.5669 172.7292 47 E 4.4089 7.7444 118.7252 54.8817 30.9907 175.3373 48 F 4.6065 8.8210 126.4469 57.6509 40.1060 174.4139 49 N 5.2707 9.7033 121.3281 51.5072 41.5820 173.5098 50 V 4.8695 8.8301 124.2392 60.9855 34.6363 174.1381 51 V 4.8353 8.7315 127.9725 61.2122 33.6547 173.6671 52 E 5.2259 9.5598 129.5305 54.4385 32.1349 174.6406 53 V 4.6950 8.7059 126.2507 60.0052 34.4651 174.1626 54 N 5.1663 8.7187 121.6846 52.3617 42.0712 173.0955 55 T 4.6012 9.0079 123.2065 60.8991 70.6141 172.8112 56 P 4.1823 0.0000 0.0000 65.4175 31.7239 178.7945 57 K 3.8272 8.2029 116.9447 59.1283 31.9859 176.7283 58 D 4.7840 7.9578 115.1293 53.1527 41.4896 176.8337 59 S 3.6998 7.9161 113.7324 59.0167 60.6971 172.2892 60 V 4.4982 6.9877 118.9423 61.5502 35.6439 173.8320 61 Q 4.8636 8.5827 128.1090 55.0041 31.4160 173.4441 62 I 4.5366 8.4515 125.5572 59.1946 42.0631 171.8578 63 P 4.9860 0.0000 0.0000 62.6772 31.6847 176.2226 64 I 4.6102 8.8896 115.8856 60.6856 38.9638 175.3132 65 A 4.6627 7.6906 124.6077 50.9413 22.7199 175.3564 66 V 4.7078 8.5211 121.6472 61.3054 34.0791 174.4426 67 L 5.0788 9.0442 127.8262 53.1598 45.9684 175.9608 68 K 4.6866 9.0752 118.5334 56.2686 36.3984 174.6388 69 A 4.0971 8.4942 131.2217 53.9057 18.6949 177.7063 70 G 4.0452 9.3685 111.4624 45.1936 0.0000 173.1397 71 E 4.3544 8.3795 117.3837 57.2957 31.3834 175.9122 72 T 4.5003 7.5144 117.7167 61.8026 71.1086 174.2362 73 R 4.1704 8.6065 127.6409 58.4909 31.4232 175.5276 74 A 5.0852 7.6121 117.2459 51.1257 22.2244 175.8321 75 V 4.4798 8.6980 111.7875 59.7774 36.1996 174.7799 76 N 5.7649 8.4250 119.3831 49.5403 38.0839 172.3089 77 P 4.2574 0.0000 0.0000 64.9790 32.0349 177.4867 78 D 4.3942 7.5657 113.9730 55.4612 40.1894 173.1914 79 V 4.4754 7.4221 109.3539 59.5513 34.7784 175.3636 80 E 4.8764 8.0106 118.8298 54.6203 33.0891 175.0894 81 F 4.7134 8.9952 119.9888 56.0281 41.7665 173.4121 82 Y 4.7063 8.8669 125.6755 56.9857 39.6080 175.4805 83 E 3.6993 8.8170 127.3432 57.0271 27.6254 174.9191 84 S 4.7126 7.5012 111.8166 56.8270 67.6674 174.5737 85 K 4.3934 8.3869 122.8474 56.1687 33.0271 176.6349 86 V 4.4156 8.9363 123.2927 61.5258 35.3858 173.7395 87 T 4.8742 8.2229 123.4572 61.6506 71.8885 172.8185 88 F 5.3074 9.0841 124.6770 55.5959 41.9826 174.4985 89 K 5.1343 9.1907 124.2515 54.5993 35.9795 175.1064 90 L 4.9545 9.1114 130.0716 54.3843 41.2157 176.0665 91 I 4.2557 8.4744 119.9827 61.6914 38.8086 176.2583 92 K 4.5146 7.9324 122.5695 56.3075 36.4317 176.5854 93 G 4.2669 9.2883 109.9669 45.7359 0.0000 173.1837 94 S 4.5253 8.6665 113.4025 57.1841 64.1820 177.0258 95 G 3.7396 8.3011 109.9480 44.6770 0.0000 171.2921 96 P 4.5956 0.0000 0.0000 62.7046 33.1817 175.8217 97 V 4.4390 8.3359 120.4170 61.2269 35.0779 173.6023 98 Y 5.2192 8.8034 124.8433 56.2993 40.7996 174.5126 99 I 4.7024 8.5550 125.0184 59.8278 39.6470 174.3502 100 H 5.1452 9.0176 124.2881 53.9656 32.0822 173.4884 101 G 4.7391 8.4972 108.1311 47.9612 0.0000 171.5439 102 H 5.2632 7.8177 115.6781 55.1932 31.8430 172.7987 103 N 5.3765 8.9435 117.2594 51.8608 41.2567 174.0973 104 I 4.8684 8.6875 124.6487 60.4239 42.0938 175.6033 *105 K 4.2243 8.7782 129.6015 54.7205 31.8928 173.1686 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 4 E 8.44 4.66 0.00 2.22 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 2.22 2.37 0.00 5 S 8.59 4.58 0.00 4.00 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 6 F 9.29 4.83 0.00 3.04 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 7 Y 8.42 4.46 0.00 2.82 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 8 G 7.75 3.98 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 0.00 0.00 0.00 9 V 8.22 4.58 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 0.28 0.00 0.00 0.73 0.00 0.00 10 T 8.51 5.13 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 1.34 0.00 0.00 11 L 8.88 5.12 0.00 1.49 1.51 1.01 0.41 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 12 T 8.76 5.14 4.37 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 0.00 0.00 0.00 1.19 0.00 0.00 13 A 8.71 4.10 1.30 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 0.00 0.00 0.00 14 E 8.06 4.16 0.00 1.96 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 2.32 2.36 0.00 15 S 7.83 4.59 0.00 3.83 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.19 4.90 0.00 3.01 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 17 S 7.82 5.34 0.00 3.86 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.97 4.74 2.17 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 1.11 0.00 0.00 1.08 0.00 0.00 19 T 8.68 5.13 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 1.19 0.00 0.00 20 W 9.58 4.73 0.00 3.32 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.16 4.32 0.00 2.52 2.36 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 22 V 7.05 3.80 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 0.09 0.00 0.00 0.44 0.00 0.00 *27 A 8.69 4.22 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 0.00 0.00 0.00 0.00 0.00 28 R 7.84 3.93 0.00 1.73 1.85 0.00 3.35 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 29 G 8.90 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 30 Q 7.74 4.46 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.58 2.72 0.00 31 K 8.92 5.29 0.00 1.94 2.27 0.00 1.56 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.73 1.47 7.81 32 L 8.72 4.37 0.00 0.27 0.72 -0.25 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.30 4.52 1.66 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 0.84 0.00 0.00 0.84 0.00 0.00 34 I 8.79 4.40 1.99 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.33 0.86 0.00 0.00 35 K 9.09 4.20 0.00 1.85 1.89 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.62 7.81 36 Q 7.85 4.93 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.59 0.00 37 I 8.83 4.95 1.87 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 1.02 0.85 0.87 0.00 0.00 38 L 9.09 5.22 0.00 1.84 1.71 1.05 0.48 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 39 L 8.75 4.46 0.00 1.64 1.66 0.91 1.30 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 40 G 8.78 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 41 A 8.87 4.18 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 42 E 8.11 4.16 0.00 1.96 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 0.00 2.33 2.39 0.00 43 A 7.41 4.21 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 44 K 8.52 3.95 0.00 1.83 1.68 0.00 1.61 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.49 1.47 7.81 45 E 8.65 4.00 0.00 1.92 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 2.26 2.32 0.00 46 N 8.40 3.94 0.00 2.84 2.78 0.00 0.00 7.09 7.62 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 47 E 7.74 4.41 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 2.28 2.29 0.00 48 F 8.82 4.61 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 49 N 9.70 5.27 0.00 2.57 2.70 0.00 0.00 6.06 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.83 4.87 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 1.00 0.00 0.00 0.93 0.00 0.00 51 V 8.73 4.84 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 1.05 0.00 0.00 0.93 0.00 0.00 52 E 9.56 5.23 0.00 2.04 1.78 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 2.21 2.23 0.00 53 V 8.71 4.69 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 0.85 0.00 0.00 0.40 0.00 0.00 54 N 8.72 5.17 0.00 2.66 2.54 0.00 0.00 6.84 7.34 0.00 0.00 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 T 9.01 4.60 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 1.33 0.00 0.00 56 P 0.00 4.18 0.00 2.15 2.10 0.00 3.57 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 57 K 8.20 3.83 0.00 1.72 1.89 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.51 7.81 58 D 7.96 4.78 0.00 2.79 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 59 S 7.92 3.70 0.00 3.97 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 60 V 6.99 4.50 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 1.05 0.00 0.00 1.07 0.00 0.00 61 Q 8.58 4.86 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.46 0.00 0.00 0.00 0.00 0.00 2.22 2.39 0.00 62 I 8.45 4.54 1.90 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 1.25 1.20 0.97 0.00 0.00 63 P 0.00 4.99 0.00 1.99 1.97 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 64 I 8.89 4.61 1.99 0.00 0.00 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 1.33 0.78 1.07 0.00 0.00 65 A 7.69 4.66 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 66 V 8.52 4.71 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 0.90 0.00 0.00 0.91 0.00 0.00 67 L 9.04 5.08 0.00 1.56 1.64 0.91 0.65 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 68 K 9.08 4.69 0.00 1.42 1.39 0.00 1.12 0.00 0.00 0.61 0.00 0.00 2.28 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.00 0.99 7.81 69 A 8.49 4.10 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 70 G 9.37 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 0.00 0.00 0.00 71 E 8.38 4.35 0.00 1.81 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 72 T 7.51 4.50 4.28 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 1.24 0.00 0.00 73 R 8.61 4.17 0.00 1.95 1.93 0.00 3.35 0.00 0.00 3.43 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 74 A 7.61 5.09 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 75 V 8.70 4.48 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.95 0.00 0.00 76 N 8.42 5.76 0.00 2.57 2.73 0.00 0.00 7.29 8.02 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 77 P 0.00 4.26 0.00 2.06 2.16 0.00 3.97 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 2.06 2.11 0.00 78 D 7.57 4.39 0.00 2.78 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.42 4.48 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.94 0.00 0.00 80 E 8.01 4.88 0.00 1.80 1.73 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 2.01 2.18 0.00 81 F 9.00 4.71 0.00 3.02 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 82 Y 8.87 4.71 0.00 2.90 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 83 E 8.82 3.70 0.00 1.73 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 1.79 1.47 0.00 84 S 7.50 4.71 0.00 4.03 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 K 8.39 4.39 0.00 1.55 1.65 0.00 1.43 0.00 0.00 1.54 0.00 0.00 2.60 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.40 7.81 86 V 8.94 4.42 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.35 0.00 0.00 0.73 0.00 0.00 87 T 8.22 4.87 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 1.22 0.00 0.00 88 F 9.08 5.31 0.00 3.05 2.91 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 K 9.19 5.13 0.00 1.78 1.60 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.34 1.58 7.81 90 L 9.11 4.95 0.00 1.63 1.61 1.05 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 91 I 8.47 4.26 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.75 0.92 0.00 0.00 92 K 7.93 4.51 0.00 1.70 1.72 0.00 1.59 0.00 0.00 1.81 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.45 7.81 93 G 9.29 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 0.00 0.00 0.00 0.00 94 S 8.67 4.53 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 95 G 8.30 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 P 0.00 4.60 0.00 1.81 2.11 0.00 3.58 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.13 0.00 97 V 8.34 4.44 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 1.01 0.00 0.00 0.83 0.00 0.00 98 Y 8.80 5.22 0.00 2.85 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 99 I 8.55 4.70 1.60 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.50 0.53 0.00 0.00 100 H 9.02 5.15 0.00 3.07 3.23 0.00 5.69 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 0.00 101 G 8.50 4.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 H 7.82 5.26 0.00 3.35 3.46 0.00 5.43 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 0.00 103 N 8.94 5.38 0.00 2.78 2.94 0.00 0.00 6.74 8.29 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 0.00 104 I 8.69 4.87 2.01 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.33 1.01 0.00 0.00 *105 K 8.78 4.22 0.00 1.80 1.54 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.28 0.98 7.81 * Residues marked with a * may have inaccurate shift predictions.