NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 2.7930 8.3544 109.6716 45.3218 0.0000 172.8518 2 H 4.7440 8.4052 121.5117 51.9397 32.7875 172.1053 *4 S 4.3046 8.3605 112.9373 58.1747 66.0804 173.8234 5 R 3.8703 8.4598 123.3304 60.1860 29.9482 178.3935 6 N 4.5055 8.1761 115.5870 56.0920 38.6801 177.0332 7 L 4.0364 7.6459 120.8834 58.0658 42.1666 179.0704 8 L 4.0522 8.5073 119.2960 57.6638 41.3297 179.2786 9 A 4.0277 8.3490 120.2671 55.0850 18.3662 179.4540 10 I 3.8218 7.5312 117.2700 64.5724 37.6288 178.5498 11 V 3.9890 7.7764 111.1439 62.1620 31.6332 177.5315 12 H 4.0291 8.0980 119.7492 59.0848 29.5659 174.9541 13 P 4.2752 0.0000 0.0000 65.7102 30.8597 178.3843 14 I 3.6753 7.7688 119.9804 64.1907 36.8039 178.2030 15 L 3.9117 7.6918 118.0951 57.7985 41.6268 179.0769 16 R 3.9426 7.9060 117.6227 59.4550 30.3052 177.8692 17 N 4.4724 8.3699 116.6288 56.0684 38.4077 177.8261 18 L 4.0222 7.7100 119.1596 55.6612 41.7866 178.3562 *20 E 4.1880 8.1270 118.4408 55.8293 31.5276 177.0936 21 E 4.0918 8.2741 118.7942 58.9330 29.8960 177.9397 22 S 3.8480 7.9906 112.5642 59.1579 63.2166 175.4502 23 G 3.9530 8.3109 106.8083 45.2235 0.0000 172.0363 24 E 4.8915 7.8967 118.3951 53.8850 33.9470 175.4552 25 T 4.1423 8.4851 117.2411 64.3772 69.8601 173.3576 26 V 4.7049 8.7994 125.0716 61.4675 34.3956 173.9113 27 N 5.4700 9.0627 126.5271 51.0756 42.3066 173.1037 *29 A 4.5355 8.4245 120.6837 53.0409 20.5423 176.6181 30 V 4.7612 8.7408 113.7911 59.5080 34.6801 174.9075 31 L 4.1085 7.9940 126.5540 54.2648 42.8272 175.7080 32 D 4.5118 8.8487 127.3219 53.8443 41.3338 177.0308 33 Q 4.0827 8.7866 125.8778 58.1942 29.3517 177.7155 34 S 4.3206 8.2489 113.0164 60.2690 63.4964 174.6841 35 D 4.5284 8.3311 116.6655 53.5215 41.8193 175.7282 36 H 4.1135 7.7613 115.9227 56.6768 26.1557 173.6040 37 E 4.8644 7.3616 118.3512 54.5139 35.1016 175.7069 38 A 5.1085 8.2343 123.6469 50.5828 21.4135 175.7847 39 I 4.7742 8.5873 124.2449 59.4246 40.1875 175.3901 40 I 4.2626 8.8799 129.5638 61.6692 37.4777 176.4843 41 I 4.5203 8.4101 119.5946 60.7278 39.1371 174.4796 42 D 4.5664 7.3783 121.0533 53.7467 44.0017 173.0405 43 Q 4.6554 7.8963 118.8581 55.3569 32.0142 172.8328 44 V 4.3717 8.5082 127.0895 61.2042 33.5476 174.8016 45 Q 4.6098 8.6969 127.3379 55.7111 29.7776 175.7733 46 C 4.5243 8.0737 117.1485 57.6319 31.4966 173.3100 47 T 4.5042 8.0253 105.8766 61.6310 68.5673 174.4432 48 H 4.4015 7.9285 118.4192 56.1555 29.2181 176.1111 49 L 4.1318 8.4650 119.1826 55.9445 42.6183 177.9310 *51 R 4.2234 8.3484 116.0738 56.3223 29.8104 176.9336 *53 S 4.2380 9.0918 107.3718 57.7102 64.9097 173.9154 54 A 4.1616 7.9656 122.4391 51.3452 19.0915 176.5965 55 P 4.5667 0.0000 0.0000 61.7895 32.5289 175.9401 56 I 3.8574 8.0139 120.4091 63.0440 37.3479 177.0225 57 G 3.9741 9.3706 113.6212 44.9637 0.0000 174.0992 58 G 3.8528 8.1515 107.9030 46.6246 0.0000 172.9308 59 K 5.2451 8.5629 120.9850 54.4366 34.5032 175.5631 60 L 4.7493 8.6369 123.1300 51.8679 43.9980 175.9706 61 P 4.7443 0.0000 0.0000 62.4761 30.7914 177.4695 *63 H 4.7365 8.6983 111.9261 55.1776 30.1384 173.6509 64 A 4.5908 7.7784 120.1039 50.8252 20.6257 175.7580 65 S 5.0068 7.6307 111.8555 56.1036 67.4594 174.5395 66 G 3.7427 8.6806 108.0616 48.4716 0.0000 175.5319 67 A 3.8050 7.9239 122.9865 54.1839 18.4176 179.4281 68 G 3.8726 7.9399 105.4839 47.6050 0.0000 176.0267 69 K 4.0589 8.2058 121.1424 58.2395 31.8638 179.3183 70 A 3.9485 7.8804 120.9175 55.2460 18.5453 179.4825 71 F 4.4752 7.9862 116.0330 60.8478 39.0753 177.8770 72 L 4.0564 8.3503 118.5808 57.9509 41.2109 179.5012 73 A 4.1053 8.2832 119.8728 54.9263 18.3447 179.0232 74 Q 4.2285 8.0061 114.9102 56.6400 29.2965 176.2322 75 L 4.6663 7.1046 120.2429 53.2175 43.2578 177.2122 76 S 4.3906 8.8641 116.8348 58.0580 64.9167 175.1918 77 E 3.9271 8.7728 122.0407 59.7777 29.1634 179.2975 78 E 3.9128 8.1609 118.3615 59.5141 29.7525 178.8158 79 Q 3.9591 8.0698 117.8925 58.8400 28.8033 178.6828 80 V 3.5615 8.1000 119.6343 66.4030 31.5630 177.8340 81 T 3.7746 8.1551 115.6441 66.7939 68.2286 176.3579 82 K 3.9361 8.0747 119.9428 59.5433 32.0813 179.1198 83 L 3.8234 7.9604 120.2934 58.1613 42.0136 178.9814 84 L 3.9956 7.9908 118.9187 58.0982 41.2772 179.0996 85 H 4.2354 7.9487 115.3037 58.9654 28.6695 177.8046 86 R 4.1071 7.6109 118.7444 58.7172 30.2073 178.3607 87 K 4.4180 8.3514 115.2942 55.0073 33.1229 177.5470 88 G 3.8889 8.1240 108.3371 44.9100 0.0000 173.2235 89 L 4.3933 7.7688 114.5925 53.0603 41.9799 177.3013 90 H 3.7526 7.9904 117.0905 56.6663 30.4487 174.5114 91 A 4.2919 7.8931 129.8101 51.2239 17.5668 176.3794 92 Y 4.2423 8.4325 120.0400 61.3588 38.6113 176.3100 93 T 4.7434 8.2752 108.5464 59.4051 72.1127 174.1116 94 H 4.1319 8.6496 116.4281 58.1158 28.2119 176.0962 95 A 4.3247 7.8256 121.8759 53.4730 19.2589 177.8780 96 T 3.7842 7.4487 112.3522 64.0293 68.8155 173.9812 97 L 4.2038 8.5249 126.0895 55.0616 40.9948 176.9100 98 V 4.2099 8.2043 116.6642 61.2052 33.4526 176.8011 99 S 4.3963 7.8902 115.4590 56.8764 63.3180 172.3270 100 P 4.2218 0.0000 0.0000 65.7465 31.0877 179.0193 101 V 3.5705 7.6149 117.3195 65.3249 31.5552 178.1405 102 H 4.3091 7.8317 117.2288 58.0326 28.3865 177.7160 103 L 3.9560 8.2990 122.6598 57.9537 41.9593 178.6529 104 K 3.8338 8.2405 119.8908 59.6032 31.9704 178.1938 105 E 3.9013 8.2692 119.3188 59.4112 29.5256 178.0762 106 D 4.3335 8.1674 118.0014 57.6205 41.1779 178.4241 107 L 3.9977 8.1944 119.2569 57.3251 41.6203 179.2003 108 A 3.9648 8.4012 121.3019 55.4245 18.3248 179.5523 109 Q 3.9360 8.3147 116.7479 59.4022 28.6654 179.4325 110 T 3.9597 7.9232 118.0671 66.1898 68.3305 176.7227 111 R 3.9049 7.6871 118.3171 59.0866 30.1484 178.8403 112 K 4.0679 7.8021 118.4844 59.4748 32.4027 178.7512 113 R 4.1063 8.0670 114.7156 56.8408 29.7137 177.5683 114 G 4.0272 9.0624 107.4614 45.3017 0.0000 172.3597 115 Y 5.1725 6.7643 116.5324 55.4147 41.7964 174.3652 116 S 4.8985 9.5417 116.1270 57.5069 65.9264 172.9349 117 F 5.5493 8.5352 122.3164 57.0495 42.1008 173.0149 118 D 4.5420 9.4259 127.7192 53.0461 42.3182 174.8104 119 D 4.7277 8.7979 128.1754 52.5290 40.0644 175.2437 120 E 4.0868 8.4876 122.2706 56.9645 28.0436 176.0818 121 E 4.1603 8.8566 120.2556 58.3664 30.2339 177.5758 122 H 4.2674 8.3251 116.6985 57.0649 31.0184 174.7338 123 A 4.6380 7.2981 120.4276 49.6722 22.0464 175.0832 124 L 4.1066 8.3875 121.6786 56.4189 42.2951 178.1169 125 G 3.9202 10.1185 111.8122 44.9855 0.0000 172.0177 126 L 5.1500 7.7350 122.5555 53.2554 44.3504 175.2499 127 R 5.2849 9.1273 125.1962 54.8413 33.4049 174.8050 128 C 5.4490 8.9941 118.5856 58.1773 33.1636 172.8915 129 L 5.5337 9.0297 121.0668 53.2047 44.6042 175.5611 130 A 5.2497 9.0385 123.2102 50.8003 23.4463 174.6117 131 A 4.9030 8.5974 119.5090 50.4197 23.0168 175.9265 132 C 4.3574 8.6258 118.1545 59.7617 29.2295 173.1496 133 I 4.4220 8.5328 123.4279 59.5094 39.5961 174.6562 134 F 5.4933 8.4737 123.6718 55.7956 42.0357 175.4615 135 D 4.4620 9.1120 122.5731 51.8241 41.0023 176.8450 136 E 4.0613 8.9478 116.2277 59.2050 29.3297 177.2211 137 H 4.9159 8.1999 115.4848 55.4185 29.1528 174.4276 138 R 3.9922 8.1638 115.5991 57.1643 28.3012 175.8141 139 E 4.7753 8.5681 117.4768 54.0873 30.9176 173.9648 140 P 4.4066 0.0000 0.0000 62.7227 32.0950 175.8786 141 F 5.0274 8.9476 115.5784 56.0374 40.0522 173.9910 142 A 5.2094 7.1745 119.6995 50.6175 22.8094 174.5187 143 A 4.6466 8.6032 119.9319 50.1860 22.6335 175.5365 144 I 4.6781 8.3891 121.0935 59.1327 40.6949 174.6002 145 S 5.2879 8.9111 122.8672 56.6363 66.6029 172.5894 146 I 4.7996 8.5678 123.0248 59.9669 39.1609 174.9103 147 S 5.0152 8.7977 122.7231 57.0876 66.5531 173.6040 148 G 4.3409 8.9959 110.3481 45.5916 0.0000 170.6067 149 P 5.1899 0.0000 0.0000 62.3344 32.1065 177.6886 150 I 4.1348 8.4120 115.7748 64.0574 37.3576 177.5595 151 S 4.2371 8.3466 116.7527 60.5445 62.9786 175.0737 152 R 4.3589 7.9003 117.9231 57.1042 31.5946 176.8985 153 I 3.8918 7.7876 120.6670 59.9995 35.6161 175.2202 154 T 4.2629 7.2503 115.0351 60.4004 70.5822 176.2842 155 D 4.3194 8.6957 121.4362 57.6746 40.4442 178.7693 156 D 4.4225 7.9073 117.3290 55.4046 39.9618 177.5695 157 R 4.2506 7.6193 120.0618 55.6610 30.2456 178.3182 158 V 3.1607 7.1397 119.2829 66.2203 31.4610 178.0354 159 T 3.8173 7.5469 110.2157 63.7709 68.1986 175.8739 160 E 3.8665 7.9725 121.8156 59.4065 29.5245 178.7064 161 F 4.3431 8.5203 116.7662 60.2647 39.2050 177.3565 162 G 2.6645 7.8711 105.5906 47.3494 0.0000 177.1620 163 A 4.1454 7.7938 123.2430 51.7534 18.5992 179.6832 *165 V 3.9072 7.8224 122.4033 63.3944 33.6570 177.4414 166 I 3.6839 7.8199 121.3141 64.1518 37.0071 177.7992 167 K 3.7605 8.1006 119.7318 59.7493 31.9902 178.3445 168 A 3.9398 8.0021 119.8629 55.2752 18.2599 179.2190 169 A 3.9181 8.2993 119.4513 55.2813 18.3919 179.9512 170 K 3.9953 8.0860 116.9553 59.7146 32.1005 179.4624 171 E 3.9884 8.0773 118.6963 59.2879 29.4035 179.5816 172 V 3.6092 7.9769 118.3164 66.2221 31.6126 177.9093 173 T 3.9925 8.2892 115.9429 66.8911 68.3136 176.0103 174 L 4.0212 8.1447 120.2997 58.0909 41.5206 179.5033 175 A 4.0274 7.8061 118.9151 55.3659 18.4065 178.6034 176 Y 4.2299 8.5715 117.2520 60.8567 38.9758 178.1096 177 G 4.1212 8.3140 105.3812 47.9641 0.0000 173.9413 178 G 4.0872 8.2663 111.6914 44.9110 0.0000 172.8965 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 G 8.35 2.79 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 2 H 8.41 4.74 0.00 3.07 3.23 0.00 5.98 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *4 S 8.36 4.30 0.00 4.17 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 5 R 8.46 3.87 0.00 1.91 2.01 0.00 3.19 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 6 N 8.18 4.51 0.00 2.82 2.85 0.00 0.00 6.75 6.74 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 7 L 7.65 4.04 0.00 1.91 1.80 0.94 0.94 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 8 L 8.51 4.05 0.00 1.91 1.73 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.35 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 10 I 7.53 3.82 2.06 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 1.53 0.70 0.94 0.00 0.00 11 V 7.78 3.99 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 0.85 0.00 0.00 1.09 0.00 0.00 12 H 8.10 4.03 0.00 3.39 3.48 0.00 5.79 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.28 0.00 2.28 2.30 0.00 3.85 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 14 I 7.77 3.68 2.00 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 1.68 0.87 0.89 0.00 0.00 15 L 7.69 3.91 0.00 1.71 1.68 0.91 0.86 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 16 R 7.91 3.94 0.00 1.53 1.79 0.00 3.26 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 17 N 8.37 4.47 0.00 3.00 2.81 0.00 0.00 6.68 6.92 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 18 L 7.71 4.02 0.00 1.82 1.71 0.74 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 *20 E 8.13 4.19 0.00 2.18 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 2.37 0.00 21 E 8.27 4.09 0.00 2.01 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 2.27 2.21 0.00 22 S 7.99 3.85 0.00 2.91 3.39 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 23 G 8.31 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 0.00 0.00 0.00 24 E 7.90 4.89 0.00 1.79 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 2.51 2.65 0.00 25 T 8.49 4.14 4.40 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 1.20 0.00 0.00 26 V 8.80 4.70 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 0.99 0.00 0.00 0.85 0.00 0.00 27 N 9.06 5.47 0.00 2.59 2.66 0.00 0.00 6.72 6.94 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 *29 A 8.42 4.54 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 30 V 8.74 4.76 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 0.77 0.00 0.00 1.02 0.00 0.00 31 L 7.99 4.11 0.00 0.27 1.05 0.48 0.95 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 32 D 8.85 4.51 0.00 2.74 2.48 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 0.00 33 Q 8.79 4.08 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 34 S 8.25 4.32 0.00 3.90 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 35 D 8.33 4.53 0.00 2.60 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 36 H 7.76 4.11 0.00 3.33 3.31 0.00 5.60 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 E 7.36 4.86 0.00 1.83 1.77 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 2.30 2.50 0.00 38 A 8.23 5.11 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 39 I 8.59 4.77 1.88 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 1.23 0.62 0.92 0.00 0.00 40 I 8.88 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 1.28 0.73 0.95 0.00 0.00 41 I 8.41 4.52 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 1.26 0.55 0.93 0.00 0.00 42 D 7.38 4.57 0.00 2.75 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 7.90 4.66 0.00 2.04 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.53 0.00 0.00 0.00 0.00 0.00 2.13 2.47 0.00 44 V 8.51 4.37 2.05 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 0.99 0.00 0.00 0.93 0.00 0.00 45 Q 8.70 4.61 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.78 0.00 0.00 0.00 0.00 0.00 2.46 2.30 0.00 46 C 8.07 4.52 0.00 3.16 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 47 T 8.03 4.50 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 1.19 0.00 0.00 48 H 7.93 4.40 0.00 3.19 3.27 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.47 4.13 0.00 1.65 1.71 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 *51 R 8.35 4.22 0.00 1.96 1.72 0.00 3.33 0.00 0.00 3.47 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 *53 S 9.09 4.24 0.00 3.90 3.97 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 7.22 6.55 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 80 V 8.10 3.56 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 1.03 0.00 0.00 1.01 0.00 0.00 81 T 8.16 3.77 4.38 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 1.18 0.00 0.00 82 K 8.07 3.94 0.00 1.92 1.86 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.61 7.81 83 L 7.96 3.82 0.00 1.71 1.76 0.89 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.99 4.00 0.00 1.77 1.63 0.89 0.98 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 85 H 7.95 4.24 0.00 3.31 3.34 0.00 5.65 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 R 7.61 4.11 0.00 1.92 2.01 0.00 3.04 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 87 K 8.35 4.42 0.00 1.69 1.87 0.00 1.83 0.00 0.00 1.86 0.00 0.00 3.23 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.57 1.62 7.81 88 G 8.12 3.89 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 0.00 0.00 0.00 89 L 7.77 4.39 0.00 1.53 1.54 0.95 0.92 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 90 H 7.99 3.75 0.00 2.91 2.98 0.00 5.91 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.89 4.29 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 92 Y 8.43 4.24 0.00 3.20 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 93 T 8.28 4.74 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 1.25 0.00 0.00 94 H 8.65 4.13 0.00 3.24 3.52 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 7.83 4.32 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 96 T 7.45 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0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.42 7.81 113 R 8.07 4.11 0.00 1.69 1.83 0.00 2.30 0.00 0.00 2.92 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.50 0.00 114 G 9.06 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 0.00 0.00 0.00 0.00 115 Y 6.76 5.17 0.00 3.21 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 0.00 116 S 9.54 4.90 0.00 3.92 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 0.00 117 F 8.54 5.55 0.00 3.08 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 0.00 118 D 9.43 4.54 0.00 2.73 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 D 8.80 4.73 0.00 1.58 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 0.00 120 E 8.49 4.09 0.00 2.12 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 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0.00 1.54 1.50 0.86 1.22 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 0.00 130 A 9.04 5.25 1.19 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 0.00 0.00 131 A 8.60 4.90 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 0.00 132 C 8.63 4.36 0.00 2.70 2.05 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 0.00 133 I 8.53 4.42 1.48 0.00 0.00 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 1.27 0.52 0.68 0.00 0.00 134 F 8.47 5.49 0.00 2.99 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 0.00 135 D 9.11 4.46 0.00 2.59 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 0.00 0.00 0.00 136 E 8.95 4.06 0.00 2.10 2.22 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 1.75 2.16 0.00 137 H 8.20 4.92 0.00 3.19 3.34 0.00 5.87 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 R 8.16 3.99 0.00 1.97 1.97 0.00 3.09 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 139 E 8.57 4.78 0.00 2.24 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 2.36 2.45 0.00 140 P 0.00 4.41 0.00 2.25 1.92 0.00 3.86 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 141 F 8.95 5.03 0.00 3.10 3.16 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 0.00 0.00 0.00 142 A 7.17 5.21 0.54 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 0.00 143 A 8.60 4.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.39 4.68 1.77 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 1.52 0.87 0.00 0.00 145 S 8.91 5.29 0.00 3.91 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 0.00 146 I 8.57 4.80 1.79 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.57 0.66 0.00 0.00 147 S 8.80 5.02 0.00 3.68 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 0.00 148 G 9.00 4.34 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 0.00 149 P 0.00 5.19 0.00 2.12 2.18 0.00 3.90 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.94 0.00 150 I 8.41 4.13 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 1.42 0.60 0.94 0.00 0.00 151 S 8.35 4.24 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 0.00 152 R 7.90 4.36 0.00 1.84 2.05 0.00 3.04 0.00 0.00 2.99 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 153 I 7.79 3.89 1.90 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.60 0.78 0.00 0.00 154 T 7.25 4.26 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 1.22 0.00 0.00 155 D 8.70 4.32 0.00 2.68 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 0.00 156 D 7.91 4.42 0.00 2.76 2.74 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 0.00 157 R 7.62 4.25 0.00 1.30 0.85 0.00 2.98 0.00 0.00 2.88 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.21 0.00 158 V 7.14 3.16 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 0.27 0.00 0.00 0.60 0.00 0.00 159 T 7.55 3.82 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 1.22 0.00 0.00 160 E 7.97 3.87 0.00 2.00 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 0.00 2.50 2.43 0.00 161 F 8.52 4.34 0.00 2.99 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 0.00 162 G 7.87 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 0.00 0.00 0.00 163 A 7.79 4.15 1.35 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 *165 V 7.82 3.91 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 0.87 0.00 0.00 0.91 0.00 0.00 166 I 7.82 3.68 2.05 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.93 0.96 0.00 0.00 167 K 8.10 3.76 0.00 1.91 1.79 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.48 7.81 168 A 8.00 3.94 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 0.00 169 A 8.30 3.92 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 0.00 170 K 8.09 4.00 0.00 2.17 1.91 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.54 7.81 171 E 8.08 3.99 0.00 2.26 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 2.34 2.56 0.00 172 V 7.98 3.61 2.19 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 0.89 0.00 0.00 0.96 0.00 0.00 173 T 8.29 3.99 4.53 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 1.45 0.00 0.00 174 L 8.14 4.02 0.00 2.02 1.78 0.95 0.88 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 0.00 175 A 7.81 4.03 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 0.00 176 Y 8.57 4.23 0.00 3.09 3.31 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 0.00 177 G 8.31 4.12 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 0.00 0.00 0.00 178 G 8.27 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.