NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4317 8.3049 120.3446 55.4013 33.4102 174.3566 2 Q 4.4909 8.5389 121.6892 51.9232 32.1807 173.5894 3 D 4.8863 8.3512 121.0619 50.5465 44.7513 175.9581 4 A 3.7875 8.6619 122.0795 55.7811 18.2340 179.8046 5 I 3.5683 6.9831 117.3140 64.5936 37.5445 178.4179 6 T 3.7440 7.7229 115.2719 66.5791 68.1094 176.5918 7 A 3.8957 8.0791 123.0280 54.9962 18.2476 179.7149 8 V 3.4629 7.7331 117.0003 66.1766 31.5331 178.0829 9 I 3.6578 7.5938 117.7417 64.1541 37.8462 177.1975 10 N 4.2431 8.0258 116.8399 56.5228 38.1726 177.2609 11 A 4.0492 7.6121 120.7178 54.8812 18.5877 179.3316 12 S 4.3120 7.7141 113.5491 61.0071 62.7840 176.0770 13 D 4.3064 8.3471 121.1589 56.7727 40.7137 178.3427 14 V 3.6502 7.5065 118.3095 65.1193 31.6716 176.5051 15 Q 4.2648 7.4990 113.9166 55.5949 29.2530 176.7712 16 G 3.9704 7.7074 106.3228 45.0086 0.0000 174.1982 17 K 4.2783 7.5289 118.3020 56.2337 32.7451 176.3439 18 Y 4.1143 8.4490 119.2441 56.8901 38.6885 175.1510 19 L 3.8555 8.5799 120.8341 55.4963 41.7446 177.8332 20 D 4.6673 8.4711 123.2668 53.7289 43.7275 176.4185 21 T 3.8638 10.4949 113.8586 65.2535 67.2663 176.2073 22 A 4.3717 8.2372 123.3421 54.3484 18.3608 179.3178 23 A 3.9416 7.9410 119.0590 55.7191 18.4389 179.5384 24 M 4.1031 8.1758 117.0744 58.4650 31.7279 179.0016 25 E 4.0526 7.7594 117.8119 59.2144 29.7026 178.9704 26 K 3.9728 7.8303 118.1006 59.8316 32.1663 179.2704 27 L 3.8502 7.7979 118.5418 57.4656 41.4240 179.8860 28 K 4.2099 7.8968 118.3586 59.4815 31.9110 178.7899 29 A 4.0208 8.6430 120.8094 55.7038 18.5241 178.5160 30 Y 4.1541 8.2642 117.6178 61.1793 38.7039 178.3210 31 F 4.2800 8.1335 118.0932 60.9365 38.8533 177.7412 32 A 4.0339 8.6576 119.4929 54.9305 16.9705 178.7679 33 T 4.2240 7.9180 110.2050 63.1180 67.5888 176.3287 34 G 3.5384 7.3833 106.9334 49.0741 0.0000 174.9108 35 E 3.8502 8.2158 119.8395 59.0689 29.6155 179.4310 36 L 3.4532 7.6261 117.7581 59.2248 40.1822 179.9494 37 R 3.8572 7.8675 118.7283 59.2273 30.1472 178.9243 38 V 3.5931 7.6921 117.4814 65.8935 31.3824 177.6939 39 R 3.8293 8.7946 119.1836 59.5054 29.9685 178.2692 40 A 3.9946 8.2424 120.3843 55.0791 18.1479 179.2336 41 A 3.9288 8.2703 118.4482 55.6023 18.8642 179.5955 42 S 4.2170 8.0788 113.4656 61.7191 62.8887 177.1307 43 V 3.6142 7.5306 120.9972 65.9769 31.2025 177.6986 44 I 3.9831 7.5416 109.1303 62.3759 37.4328 176.7185 45 S 4.4205 7.6574 114.3377 60.2957 62.7945 175.3017 46 A 4.1884 7.8281 123.0098 54.1794 18.4477 178.2816 47 N 4.7211 7.9098 111.9874 53.0317 38.9833 176.3188 48 A 3.9993 8.0967 123.0038 55.4751 18.5332 179.3657 49 A 4.1424 7.8625 118.2989 55.2825 19.0110 179.4466 50 N 4.3824 8.0990 114.4768 56.3030 38.4727 176.8640 51 I 4.0490 7.9078 118.7240 62.4367 37.2839 176.9440 52 V 4.1781 7.3435 119.1877 64.4566 32.9097 176.4939 53 K 3.7774 7.9037 118.9077 60.0286 31.8561 178.0146 54 E 3.9511 8.2889 117.4049 59.5367 29.6683 179.3225 55 A 3.9556 8.0232 119.9132 55.2520 18.4402 179.4685 56 V 3.4546 7.9442 116.3902 66.3299 31.3679 178.0465 57 A 4.1494 7.8176 118.8214 55.1158 18.2584 179.1742 58 K 4.1493 8.1221 117.4429 58.4781 32.4273 177.7839 59 S 4.5905 8.2042 111.6396 58.2635 65.0437 175.6279 60 L 4.2565 8.2757 119.5966 55.6788 42.6041 177.0303 61 L 4.1460 7.7348 116.9199 54.7245 42.3821 175.3929 62 Y 3.8210 7.9480 114.7581 59.2063 35.1710 170.5984 63 S 4.8314 7.5195 111.8096 56.3889 66.5873 174.2295 64 D 4.4644 8.7015 119.0645 57.2055 40.5114 177.5044 65 I 4.4123 7.4870 110.5578 60.4049 38.0044 176.2537 66 T 4.6661 7.6218 110.6316 62.9027 70.4959 173.3455 67 R 4.5393 7.7162 119.4661 54.1435 32.1723 173.3940 68 P 2.9700 0.0000 0.0000 64.5732 31.0943 176.6551 69 G 4.0273 9.0582 111.2122 45.2543 0.0000 173.3385 70 G 4.0267 7.9760 106.0829 46.4723 0.0000 175.3671 *75 M 4.3711 7.7015 118.5114 53.9853 33.9682 174.8919 76 Y 4.2051 7.7970 119.5680 58.7092 39.6480 173.9089 77 T 3.1400 8.2047 122.3831 62.2937 68.3332 173.0804 78 T 3.8222 8.4951 122.5306 65.9664 68.1610 176.3854 79 R 4.2827 7.6776 119.5978 58.5315 30.7452 178.0763 80 R 4.0184 7.6766 117.4343 59.3514 30.3645 177.7255 81 Y 3.8692 8.1367 119.1892 61.0925 38.7636 178.4214 82 A 4.1170 7.7513 121.2577 55.1022 18.2924 179.3726 83 A 4.0329 8.0180 119.3532 55.0174 18.4668 179.2515 84 C 4.0600 7.8646 117.4085 62.0258 31.6230 175.8170 85 I 3.6446 7.5033 114.5610 63.8710 37.2280 177.7689 86 R 3.6996 7.8377 120.5549 59.2910 29.6702 178.2597 87 D 4.4272 7.7207 118.4288 57.3692 41.0362 178.4997 88 L 4.0321 7.7300 119.4236 58.1629 41.7608 179.2712 89 D 4.3974 8.6107 118.8454 57.6425 40.5950 178.5906 90 Y 4.2987 7.4440 117.0734 61.5985 37.9938 178.0396 91 Y 4.6237 8.1280 117.7138 61.4616 37.9858 178.8060 92 L 4.1992 8.1490 120.5103 57.7645 42.2895 178.7853 93 R 3.6347 8.0424 118.5012 58.9810 29.9261 177.8831 94 Y 3.7897 8.3526 116.5068 59.9833 38.2359 177.4170 95 A 3.8938 7.9910 121.8009 55.6520 18.4244 179.4669 96 T 3.6744 7.6177 111.2312 65.5431 67.2391 175.7082 97 Y 4.1776 7.2544 116.8807 61.0784 37.9839 177.8431 98 A 3.8313 8.0102 121.5674 55.5858 18.0582 179.4259 99 M 3.5371 7.2994 115.0904 58.6639 32.4414 178.1078 100 L 4.1158 7.4652 117.5237 57.8260 42.0470 179.1609 101 A 4.1535 8.6991 120.6326 52.2724 18.8749 177.2708 102 G 4.3051 7.6587 105.2928 45.3545 0.0000 173.9146 103 D 4.3600 7.3504 111.4888 51.6516 44.3510 174.3574 104 P 4.4586 0.0000 0.0000 63.9416 31.1260 177.8975 105 S 4.0262 8.8503 114.9993 61.9441 62.1960 176.0054 106 I 3.7482 7.8130 114.8535 64.1309 37.2479 177.4841 107 L 4.1387 8.1508 120.4419 57.9931 41.3612 179.3542 108 D 4.5127 7.9325 116.2531 56.8156 40.7662 177.9450 109 E 4.2056 7.9830 119.8849 57.6957 30.0593 178.5247 110 R 4.6053 8.6600 118.2192 55.3985 30.3127 177.4088 111 V 4.1475 6.4228 113.6419 64.1679 37.4004 175.3362 112 L 3.9441 8.5002 121.0987 56.5687 42.0776 176.5847 113 N 4.0832 8.0751 115.9272 53.8484 37.0472 174.8967 114 G 3.9106 8.8066 110.1866 45.4067 0.0000 173.9639 115 L 3.6101 7.5881 122.5953 57.9345 41.8411 178.7053 116 K 3.8163 7.9543 118.8415 60.0307 31.5297 177.7029 117 E 3.9598 8.0033 118.4965 59.6140 29.2971 179.0871 118 T 3.9344 7.8676 108.7159 65.6515 68.5691 175.2505 119 Y 4.4626 7.9720 119.4064 61.0872 37.7350 178.3581 120 N 4.4180 8.5474 117.0286 56.6251 38.7499 177.2294 121 S 4.2464 8.2824 114.1214 61.2870 62.6409 175.6981 122 L 4.3329 8.5438 120.6356 55.4060 41.7819 177.8220 123 G 4.0175 8.5255 105.5647 44.6478 0.0000 173.9795 124 V 3.2886 7.5706 119.7927 62.3315 31.8856 174.0259 125 P 4.3243 0.0000 0.0000 62.6441 31.8257 176.6167 126 I 3.6465 8.4702 117.5665 64.1720 37.3458 177.3764 127 A 3.9566 8.1287 122.4528 54.6316 18.0589 179.3826 128 A 3.9750 7.8941 118.6037 55.4168 18.7200 179.8376 129 T 3.8736 7.8110 107.8803 64.7957 68.7556 177.0623 130 V 3.5904 7.9073 121.3162 65.9566 31.6791 178.0783 131 Q 4.0691 8.0251 117.2277 58.6452 28.2377 178.6559 132 A 4.1248 8.1323 122.9436 54.6511 18.7267 179.4541 133 I 3.8100 7.7644 111.6520 64.0242 37.4584 178.0879 134 Q 3.7708 8.5202 121.5448 58.9283 28.8195 178.2266 135 A 4.3621 7.6986 122.6294 54.4183 18.3851 179.4520 136 M 3.9808 7.8830 117.6775 57.8030 31.8238 178.7354 137 K 3.5751 6.9707 118.6896 59.6642 32.0219 178.2557 138 E 3.9955 8.0299 118.2213 59.5550 29.2125 179.1392 139 V 3.5800 7.6152 117.9566 66.5500 31.8203 177.9860 140 T 4.0890 8.4066 112.7930 65.0074 67.4802 176.2671 141 A 4.1753 8.7623 123.2104 54.7479 18.0675 179.4248 142 S 4.2685 7.7608 112.2251 60.4207 63.4105 175.0983 143 L 4.5024 7.8503 120.8456 55.3898 42.7789 177.8407 144 V 3.8578 7.6331 110.3755 61.4883 32.3701 175.0563 145 G 3.8507 7.4288 104.3004 43.9728 0.0000 174.8583 146 A 4.0271 8.7141 120.2049 54.9645 18.1848 179.4066 147 D 4.3036 8.0970 115.6600 57.8315 41.1965 178.7109 148 A 4.3173 8.0534 120.3137 54.6071 18.4813 179.7148 149 G 3.4438 7.9765 104.4382 47.9760 0.0000 176.1859 150 K 3.5194 8.2970 120.7926 58.9787 31.5265 178.9470 *161 E 4.4242 8.0215 117.7577 56.6684 31.6353 177.9035 162 M 4.1100 9.1586 119.7871 58.1171 31.8811 178.5612 163 G 3.9225 9.0636 107.2896 47.9609 0.0000 175.2135 164 I 3.6587 7.6927 115.5348 64.1033 37.1928 177.7792 165 Y 4.1486 7.4216 117.9755 60.1413 37.2111 178.3620 166 F 4.3733 8.4159 119.2865 60.8160 39.1490 177.3150 167 D 4.5319 9.0725 118.1582 56.6136 40.4029 178.2262 168 Y 4.0242 7.9446 120.7852 60.7702 38.6778 177.5341 169 I 3.6978 7.7028 119.3327 64.3556 36.8330 178.1401 170 C 4.1887 7.6958 117.2712 62.9889 27.9361 176.2056 171 S 4.2734 7.8986 115.2873 60.5781 62.6957 175.3048 172 G 3.9874 7.3667 108.3887 44.2200 0.0000 174.7576 173 L 4.6706 7.2434 114.6320 54.8202 45.0429 176.8482 174 S 4.1649 7.7790 120.8773 58.9433 63.9026 173.8057 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 8.30 4.43 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 2 Q 8.54 4.49 0.00 1.99 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.55 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 3 D 8.35 4.89 0.00 2.70 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 4 A 8.66 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 6.98 3.57 1.76 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 -0.24 0.81 0.00 0.00 6 T 7.72 3.74 4.23 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 1.16 0.00 0.00 7 A 8.08 3.90 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 8 V 7.73 3.46 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 1.01 0.00 0.00 0.95 0.00 0.00 9 I 7.59 3.66 1.84 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 1.60 1.41 0.94 0.00 0.00 10 N 8.03 4.24 0.00 3.08 2.83 0.00 0.00 6.95 7.01 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 11 A 7.61 4.05 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 12 S 7.71 4.31 0.00 3.97 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 13 D 8.35 4.31 0.00 2.71 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 14 V 7.51 3.65 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 0.81 0.00 0.00 0.98 0.00 0.00 15 Q 7.50 4.26 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.30 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 16 G 7.71 3.97 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 0.00 0.00 0.00 17 K 7.53 4.28 0.00 1.79 1.82 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.48 7.81 18 Y 8.45 4.11 0.00 2.90 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 19 L 8.58 3.86 0.00 1.71 1.72 0.97 1.02 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 20 D 8.47 4.67 0.00 2.73 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 21 T 10.49 3.86 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 1.22 0.00 0.00 22 A 8.24 4.37 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 23 A 7.94 3.94 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 24 M 8.18 4.10 0.00 2.10 2.33 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.88 0.00 25 E 7.76 4.05 0.00 2.30 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 2.35 2.53 0.00 26 K 7.83 3.97 0.00 1.91 1.85 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.67 7.81 27 L 7.80 3.85 0.00 1.93 1.80 0.97 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.90 4.21 0.00 2.02 1.94 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.58 1.80 7.81 29 A 8.64 4.02 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 30 Y 8.26 4.15 0.00 2.90 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 31 F 8.13 4.28 0.00 3.44 3.04 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 32 A 8.66 4.03 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 33 T 7.92 4.22 4.22 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 1.19 0.00 0.00 34 G 7.38 3.54 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 0.00 0.00 0.00 35 E 8.22 3.85 0.00 2.00 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 2.40 2.39 0.00 36 L 7.63 3.45 0.00 1.89 1.96 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.87 3.86 0.00 2.05 1.99 0.00 3.09 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 38 V 7.69 3.59 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 1.03 0.00 0.00 0.98 0.00 0.00 39 R 8.79 3.83 0.00 1.85 2.07 0.00 3.16 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 40 A 8.24 3.99 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 41 A 8.27 3.93 1.37 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 0.00 0.00 0.00 42 S 8.08 4.22 0.00 4.07 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 43 V 7.53 3.61 2.26 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 1.07 0.00 0.00 0.99 0.00 0.00 44 I 7.54 3.98 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 1.69 0.84 0.97 0.00 0.00 45 S 7.66 4.42 0.00 4.06 4.07 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 46 A 7.83 4.19 1.37 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 0.00 0.00 0.00 47 N 7.91 4.72 0.00 2.76 2.85 0.00 0.00 7.00 7.32 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 48 A 8.10 4.00 1.37 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 0.00 0.00 0.00 49 A 7.86 4.14 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 50 N 8.10 4.38 0.00 2.86 2.90 0.00 0.00 7.13 7.09 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 51 I 7.91 4.05 2.06 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 1.44 0.64 0.99 0.00 0.00 52 V 7.34 4.18 2.26 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 1.14 0.00 0.00 1.12 0.00 0.00 53 K 7.90 3.78 0.00 1.98 1.80 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.54 7.81 54 E 8.29 3.95 0.00 2.10 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 2.35 2.51 0.00 55 A 8.02 3.96 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 56 V 7.94 3.45 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 0.73 0.00 0.00 0.91 0.00 0.00 57 A 7.82 4.15 1.44 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 0.00 0.00 58 K 8.12 4.15 0.00 1.78 1.98 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.45 7.81 59 S 8.20 4.59 0.00 4.01 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 60 L 8.28 4.26 0.00 1.51 1.67 0.83 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.73 4.15 0.00 1.67 1.34 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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2.02 1.24 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 108 D 7.93 4.51 0.00 2.72 2.80 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 0.00 109 E 7.98 4.21 0.00 2.08 2.16 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 2.32 2.40 0.00 110 R 8.66 4.61 0.00 1.88 1.94 0.00 3.42 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 111 V 6.42 4.15 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 0.69 0.00 0.00 0.32 0.00 0.00 112 L 8.50 3.94 0.00 1.72 1.61 0.77 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 113 N 8.08 4.08 0.00 2.78 2.84 0.00 0.00 6.03 7.00 0.00 0.00 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 G 8.81 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 0.00 115 L 7.59 3.61 0.00 1.79 1.44 0.86 -0.90 0.00 0.00 0.00 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0.00 132 A 8.13 4.12 1.37 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 0.00 0.00 0.00 133 I 7.76 3.81 1.95 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 1.56 0.48 1.02 0.00 0.00 134 Q 8.52 3.77 0.00 2.33 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 135 A 7.70 4.36 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 0.00 136 M 7.88 3.98 0.00 1.97 1.71 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.52 0.00 137 K 6.97 3.58 0.00 1.74 1.69 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.40 7.81 138 E 8.03 4.00 0.00 2.15 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 2.48 0.00 139 V 7.62 3.58 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 0.81 0.00 0.00 0.95 0.00 0.00 140 T 8.41 4.09 4.48 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 1.53 0.00 0.00 141 A 8.76 4.18 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 0.00 142 S 7.76 4.27 0.00 4.01 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 0.00 143 L 7.85 4.50 0.00 1.67 1.77 1.04 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 144 V 7.63 3.86 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 0.79 0.00 0.00 1.09 0.00 0.00 145 G 7.43 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 0.00 0.00 0.00 146 A 8.71 4.03 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 147 D 8.10 4.30 0.00 2.65 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 0.00 148 A 8.05 4.32 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 149 G 7.98 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 0.00 0.00 0.00 150 K 8.30 3.52 0.00 1.99 1.89 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.73 7.81 *161 E 8.02 4.42 0.00 2.12 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 0.00 2.34 2.34 0.00 162 M 9.16 4.11 0.00 2.03 2.29 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.86 0.00 163 G 9.06 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 0.00 164 I 7.69 3.66 1.58 0.00 0.00 0.58 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 -0.16 0.87 0.00 0.00 165 Y 7.42 4.15 0.00 2.89 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 0.00 166 F 8.42 4.37 0.00 3.38 3.04 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 0.00 167 D 9.07 4.53 0.00 2.84 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 0.00 168 Y 7.94 4.02 0.00 3.25 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 0.00 169 I 7.70 3.70 2.03 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.94 0.43 0.00 0.00 170 C 7.70 4.19 0.00 3.14 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 S 7.90 4.27 0.00 3.67 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 0.00 172 G 7.37 3.99 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 0.00 0.00 0.00 173 L 7.24 4.67 0.00 1.75 1.65 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 174 S 7.78 4.16 0.00 3.76 3.66 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 * Residues marked with a * may have inaccurate shift predictions.