NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.4364 8.1844 122.4948 55.2869 43.0043 176.1712 5 T 4.4177 8.3805 120.6142 59.8007 70.8546 171.6004 6 E 3.8967 8.9183 125.1820 59.6575 29.7980 179.1323 7 E 3.8910 8.0066 118.7814 59.1470 29.8726 178.5804 8 Q 3.4650 7.8033 117.5066 58.9534 28.8802 178.4029 9 I 3.7800 7.7892 120.7034 64.5845 37.1763 178.3077 10 A 3.9350 7.7928 120.7916 55.1162 18.2293 179.4450 11 E 3.9412 7.9182 117.0650 59.8068 29.5305 179.6913 12 F 4.9158 7.9811 117.6756 60.5403 39.0586 177.6268 13 K 3.7123 8.3933 119.3178 59.6163 31.7838 178.5253 14 E 4.0065 8.1987 117.8387 59.0050 29.8888 178.4078 15 A 4.3089 8.7481 121.4675 55.2537 18.6039 179.0419 16 F 3.2769 9.0551 119.6772 61.6252 38.2801 177.3327 17 S 4.1812 8.1934 114.2172 61.9281 62.4729 176.8949 18 L 4.1233 7.7129 119.6830 57.3061 41.3068 179.1505 19 F 4.3472 7.3586 114.2817 59.0640 40.3215 176.4093 20 D 4.6063 7.4779 119.7011 52.3073 38.7846 176.6345 21 K 3.8912 8.4278 123.1663 59.0731 32.4772 178.5745 22 D 4.3919 8.2654 114.9591 53.7764 39.5699 176.6023 23 G 3.9760 7.8139 107.8029 46.6166 0.0000 174.5966 24 D 4.4030 8.6830 120.2173 54.2687 39.7989 177.3843 25 G 4.2367 9.6937 108.6367 45.1560 0.0000 172.9760 26 T 5.0690 8.5760 108.5206 59.8352 72.2373 173.4502 27 I 4.4440 9.2143 126.3258 60.4343 38.5907 175.8144 28 T 4.7414 9.0647 118.8617 60.6629 70.6430 176.2235 29 T 3.9700 8.4932 111.9876 64.4510 68.5394 176.4420 30 K 3.9246 8.0155 122.5153 59.4927 32.2769 178.2658 31 E 4.0755 7.9817 118.5369 58.7654 29.4896 178.6438 32 L 4.2326 8.0487 120.7369 58.2205 42.2066 179.3683 33 G 3.5951 8.3499 105.7125 47.8754 0.0000 175.9665 34 T 3.8736 7.6248 118.1987 66.3734 67.9855 176.8974 35 V 3.4574 7.7214 120.0492 66.4496 31.6375 177.8730 36 M 4.0793 8.3272 118.5904 58.6268 31.7488 179.1245 37 R 4.4669 8.1614 119.2796 58.4190 30.1310 178.4494 38 S 4.4095 7.7665 110.8621 59.4356 63.3002 175.0299 39 L 4.4528 7.1782 121.5198 54.2682 41.7067 177.1360 40 G 3.8472 7.7998 106.5350 45.8272 0.0000 174.0978 41 Q 4.4561 7.7870 119.2904 54.9020 30.5335 174.9975 42 N 5.2190 8.0111 116.2020 51.6126 38.9465 171.8740 43 P 4.6847 0.0000 0.0000 62.2315 32.9594 177.3386 44 T 4.2839 9.7319 111.8254 60.7554 69.4509 175.4689 45 E 3.8691 8.7098 122.1981 58.5757 30.0835 178.2844 46 A 4.3602 7.8652 120.6983 53.9581 20.1591 179.1199 47 E 4.0154 7.9524 116.2019 59.6061 29.0892 179.4448 48 L 4.0701 8.3155 119.3304 57.5902 41.7239 179.2687 49 Q 4.0972 7.7481 118.8649 58.9154 28.9505 177.6536 50 D 4.3939 8.2012 120.1323 57.6698 39.4723 178.6804 51 M 4.2260 8.0723 118.9544 58.2258 31.8153 178.8953 52 I 4.0053 7.4965 118.9927 64.2557 37.1053 178.0761 53 N 4.3073 7.9012 116.0566 56.0941 38.3412 176.6700 54 E 4.0247 7.7151 118.9064 58.5163 29.7515 178.0459 55 V 4.0897 6.8612 114.0534 62.4502 32.6987 175.5962 56 D 4.5297 7.8374 118.8818 54.2807 41.6295 174.9810 57 A 4.5510 9.4075 129.2902 53.9198 20.7166 177.7626 58 D 4.3469 8.2757 114.3799 56.4431 40.9904 177.8224 59 G 3.9343 8.6443 104.8372 45.5715 0.0000 172.8972 60 N 4.6307 8.0467 114.4714 52.1579 37.4480 176.3289 61 G 4.0131 8.4447 107.2531 45.9493 0.0000 173.7573 62 T 4.9037 7.4768 107.4609 59.8406 72.1890 173.4809 63 I 4.6080 8.3428 124.2406 60.3411 39.0085 175.2946 64 D 5.2842 9.2879 127.3434 51.7901 42.0874 177.4494 65 F 3.4538 8.4735 119.8054 61.0196 39.2550 175.0724 66 P 3.8763 0.0000 0.0000 65.5758 30.8694 178.4004 67 E 3.9774 8.1812 117.2283 59.0852 29.3104 178.9462 68 F 4.0725 8.1316 120.7662 61.1384 39.4653 177.0116 69 L 3.7568 7.7828 120.2467 58.0723 41.8141 178.9879 70 T 3.7610 7.5355 115.3530 66.7032 68.2638 176.2822 71 M 3.7893 7.5297 119.8448 58.9372 32.1484 177.8656 72 M 3.4958 7.4908 116.7742 58.0785 32.1120 177.5426 73 A 4.2316 7.5050 119.9278 54.3803 19.2986 178.7850 74 R 3.9537 8.0411 116.4846 58.9548 30.3211 177.2585 75 K 4.1548 7.0549 115.5182 55.7554 33.1195 177.0153 *81 S 4.4248 8.3075 112.6712 58.1104 64.1219 175.0216 82 E 4.0763 8.1908 120.2329 59.6019 29.2546 178.2470 83 E 4.0072 8.1765 118.2527 59.4962 29.5959 178.9739 84 E 4.1424 8.1708 118.0754 59.1819 29.6184 179.2108 85 I 4.0267 7.7948 119.8717 64.5112 37.2288 178.6224 86 R 4.0795 8.2517 119.0544 59.2561 29.6265 178.7003 87 E 4.0000 8.1068 118.1358 59.2689 29.8050 178.4875 88 A 4.3425 8.3984 120.9432 55.0280 18.4320 179.2289 89 F 3.1239 8.8181 119.6680 61.4479 39.1841 177.6830 90 R 3.8763 8.1104 116.2878 58.9452 29.8257 178.8871 91 V 3.6666 7.2604 117.8590 65.9118 31.5566 177.8559 92 F 4.2932 7.9457 115.8664 59.7031 40.3172 176.8362 93 D 4.6570 7.7547 120.2098 53.3769 38.2125 176.4985 94 K 3.9317 8.0381 123.0910 58.9158 31.3022 178.0358 95 D 4.4908 8.4866 115.9831 53.0539 39.4881 176.9160 96 G 4.1092 7.7323 107.4589 46.8634 0.0000 174.3151 97 N 4.5497 8.0108 114.5147 52.7114 37.7834 175.9795 98 G 3.9557 9.6672 108.2504 45.3805 0.0000 172.8295 99 Y 5.0829 7.9258 115.8285 56.1640 42.0867 175.1285 100 I 4.4953 9.1754 125.3930 60.2047 38.4866 175.9693 101 S 4.7447 9.0157 122.6979 57.3390 64.5637 175.4335 102 A 4.0160 8.7256 121.5014 55.1153 17.9397 179.5635 103 A 3.9605 8.0450 118.8197 55.6083 18.4747 179.6209 104 E 3.9379 8.0907 116.4925 59.3918 29.5670 179.4167 105 L 4.2227 8.0937 120.5246 58.0240 42.2114 178.8580 106 R 3.8624 8.3118 118.9545 59.7543 29.9409 177.5987 107 H 4.0034 8.4934 118.3215 59.5818 29.5284 177.1934 108 V 3.4845 7.7961 119.6549 66.1514 30.9049 177.6679 109 M 4.0744 8.0528 118.1762 58.7197 31.9957 178.3620 110 T 4.5869 7.9161 111.3877 64.5073 68.8415 176.1953 111 N 4.1601 7.5436 118.4800 56.0504 38.6142 176.6416 112 L 4.2324 7.2676 118.2636 54.6349 42.2271 176.8958 113 G 4.2502 7.8193 109.4152 46.4991 0.0000 173.3464 114 E 4.7538 8.1164 116.1093 53.9144 33.2708 175.7083 115 K 4.7949 8.4048 118.6374 54.8185 34.7341 175.9604 116 L 4.7216 8.3289 123.7519 53.1175 43.8753 176.7482 117 T 4.3109 8.2677 118.3244 62.8856 69.5068 175.5363 118 D 4.3967 8.8188 123.3194 58.1657 40.6775 179.4429 119 E 3.9953 8.1167 118.1776 58.8857 29.5460 178.7914 120 E 3.9161 8.4351 120.1183 59.0646 29.6900 178.8365 121 V 3.5724 7.7398 117.7721 66.3540 31.6833 177.6113 122 D 4.3470 8.3721 118.7429 57.0531 40.5659 178.2112 123 E 3.8987 8.1929 119.9881 59.7261 29.6471 178.8658 124 M 4.0585 7.9662 118.3500 58.4268 31.9611 178.7415 125 I 3.6866 7.9274 119.8590 64.6812 37.1374 178.4116 126 R 3.9008 8.2971 117.5769 59.5989 29.9692 178.3435 127 E 4.0412 8.2027 117.7006 59.1415 29.7457 178.2925 128 A 4.4671 7.5965 118.9448 53.1425 19.0483 176.7800 129 D 4.5175 8.0558 116.9328 53.8878 40.4299 176.0444 130 I 3.9400 8.5415 128.2345 64.0954 37.4156 177.2797 131 D 4.5191 8.1888 116.0232 52.9684 39.6812 177.1732 132 G 3.9083 8.3243 107.7481 46.2898 0.0000 173.9670 133 D 4.4268 7.9021 116.2239 53.2843 39.6396 177.0592 134 G 3.9288 9.8124 108.5347 45.9970 0.0000 173.1271 135 Q 4.7280 8.0111 115.2383 54.5106 32.3238 173.9890 136 V 4.7227 9.0379 121.1192 61.5287 33.6045 175.3056 137 N 4.9959 9.7186 126.8601 51.8784 39.7738 175.5462 138 Y 3.5686 8.3385 118.2907 60.6536 38.1537 177.4835 139 E 3.7827 8.1722 119.0733 59.5070 29.5243 179.0858 140 E 4.0523 8.7939 118.7414 59.1534 29.2348 179.2374 141 F 4.1207 7.8850 120.3132 61.0196 39.7694 176.8879 142 V 3.5247 7.4459 118.0148 66.1684 31.0002 177.5874 143 Q 3.9307 7.3327 116.7729 59.1152 28.8768 177.4516 144 M 4.3496 7.2847 114.8524 55.4676 31.6414 176.0605 145 M 4.1805 7.6604 125.2725 55.7749 32.9334 175.1235 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 L 8.18 4.44 0.00 1.65 1.70 0.99 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.38 4.42 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 1.21 0.00 0.00 6 E 8.92 3.90 0.00 2.03 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 2.40 2.39 0.00 7 E 8.01 3.89 0.00 1.99 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 2.31 2.36 0.00 8 Q 7.80 3.46 0.00 2.12 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.60 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 9 I 7.79 3.78 1.89 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 1.58 0.85 1.05 0.00 0.00 10 A 7.79 3.94 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 11 E 7.92 3.94 0.00 1.94 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 2.32 2.44 0.00 12 F 7.98 4.92 0.00 3.43 3.38 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 13 K 8.39 3.71 0.00 1.53 2.02 0.00 0.61 0.00 0.00 0.70 0.00 0.00 2.75 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.21 1.31 7.81 14 E 8.20 4.01 0.00 2.16 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 0.00 2.37 2.35 0.00 15 A 8.75 4.31 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 0.00 0.00 0.00 0.00 0.00 16 F 9.06 3.28 0.00 2.91 3.21 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 17 S 8.19 4.18 0.00 4.13 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 18 L 7.71 4.12 0.00 1.79 1.59 0.94 0.70 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 19 F 7.36 4.35 0.00 2.72 2.78 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 20 D 7.48 4.61 0.00 2.21 2.37 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 21 K 8.43 3.89 0.00 1.78 1.83 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.60 1.50 7.81 22 D 8.27 4.39 0.00 2.77 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 23 G 7.81 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 24 D 8.68 4.40 0.00 2.82 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 G 9.69 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 0.00 0.00 0.00 0.00 26 T 8.58 5.07 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 1.29 0.00 0.00 27 I 9.21 4.44 1.77 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.34 0.86 0.00 0.00 28 T 9.06 4.74 4.25 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 1.22 0.00 0.00 29 T 8.49 3.97 4.25 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 1.22 0.00 0.00 30 K 8.02 3.92 0.00 1.89 1.85 0.00 1.59 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.59 7.81 31 E 7.98 4.08 0.00 2.05 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 0.00 2.30 2.30 0.00 32 L 8.05 4.23 0.00 1.97 1.72 0.96 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.35 3.60 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 0.00 0.00 0.00 34 T 7.62 3.87 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 35 V 7.72 3.46 2.23 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 0.80 0.00 0.00 0.73 0.00 0.00 36 M 8.33 4.08 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.96 0.00 37 R 8.16 4.47 0.00 1.96 1.95 0.00 3.12 0.00 0.00 3.31 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.60 0.00 38 S 7.77 4.41 0.00 4.12 3.93 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 39 L 7.18 4.45 0.00 1.78 1.63 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.80 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 41 Q 7.79 4.46 0.00 2.21 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.84 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 42 N 8.01 5.22 0.00 2.59 2.66 0.00 0.00 7.00 7.69 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 43 P 0.00 4.68 0.00 2.23 2.04 0.00 3.82 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 2.00 1.97 0.00 44 T 9.73 4.28 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 45 E 8.71 3.87 0.00 2.07 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 2.38 2.38 0.00 46 A 7.87 4.36 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 47 E 7.95 4.02 0.00 2.24 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 2.35 0.00 48 L 8.32 4.07 0.00 1.68 1.73 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 7.75 4.10 0.00 2.40 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 50 D 8.20 4.39 0.00 3.07 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 51 M 8.07 4.23 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.59 0.00 52 I 7.50 4.01 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 1.53 0.87 0.98 0.00 0.00 53 N 7.90 4.31 0.00 2.87 2.88 0.00 0.00 6.99 7.02 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 54 E 7.72 4.02 0.00 2.07 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 2.30 2.30 0.00 55 V 6.86 4.09 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 0.93 0.00 0.00 0.87 0.00 0.00 56 D 7.84 4.53 0.00 2.89 2.56 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 57 A 9.41 4.55 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 58 D 8.28 4.35 0.00 2.90 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 59 G 8.64 3.93 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 0.00 0.00 0.00 60 N 8.05 4.63 0.00 2.85 2.93 0.00 0.00 6.24 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 61 G 8.44 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 62 T 7.48 4.90 4.35 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 1.23 0.00 0.00 63 I 8.34 4.61 1.93 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 1.33 0.87 1.15 0.00 0.00 64 D 9.29 5.28 0.00 2.77 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 65 F 8.47 3.45 0.00 1.95 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 66 P 0.00 3.88 0.00 2.13 2.02 0.00 3.85 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 67 E 8.18 3.98 0.00 2.19 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 0.00 2.31 2.39 0.00 68 F 8.13 4.07 0.00 3.28 3.13 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 69 L 7.78 3.76 0.00 1.01 1.42 1.24 1.00 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 70 T 7.54 3.76 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 1.15 0.00 0.00 71 M 7.53 3.79 0.00 1.68 2.03 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 2.47 2.57 0.00 72 M 7.49 3.50 0.00 0.98 1.43 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.36 0.00 73 A 7.51 4.23 1.40 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 0.00 0.00 74 R 8.04 3.95 0.00 1.83 2.03 0.00 3.23 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 75 K 7.05 4.15 0.00 1.67 1.70 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.40 7.81 *81 S 8.31 4.42 0.00 3.89 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 82 E 8.19 4.08 0.00 2.12 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 0.00 2.51 2.50 0.00 83 E 8.18 4.01 0.00 2.07 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 2.41 2.41 0.00 84 E 8.17 4.14 0.00 2.04 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 2.43 2.36 0.00 85 I 7.79 4.03 2.11 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 1.62 1.04 1.18 0.00 0.00 86 R 8.25 4.08 0.00 1.88 1.92 0.00 2.94 0.00 0.00 2.78 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.75 0.00 87 E 8.11 4.00 0.00 2.29 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 0.00 2.36 2.52 0.00 88 A 8.40 4.34 1.82 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 0.00 0.00 89 F 8.82 3.12 0.00 2.94 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 90 R 8.11 3.88 0.00 2.05 2.00 0.00 3.24 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.91 0.00 91 V 7.26 3.67 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.99 0.00 0.00 92 F 7.95 4.29 0.00 2.78 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 93 D 7.75 4.66 0.00 2.05 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 0.00 0.00 0.00 0.00 94 K 8.04 3.93 0.00 1.73 1.79 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.59 1.26 7.81 95 D 8.49 4.49 0.00 2.90 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 96 G 7.73 4.11 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 0.00 0.00 0.00 97 N 8.01 4.55 0.00 2.97 3.00 0.00 0.00 7.03 6.88 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 98 G 9.67 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 99 Y 7.93 5.08 0.00 2.92 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 0.00 100 I 9.18 4.50 1.84 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.01 0.92 0.00 0.00 101 S 9.02 4.74 0.00 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 0.00 102 A 8.73 4.02 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 0.00 103 A 8.04 3.96 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 0.00 104 E 8.09 3.94 0.00 2.24 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 2.31 2.32 0.00 105 L 8.09 4.22 0.00 1.88 1.74 1.13 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 106 R 8.31 3.86 0.00 1.94 2.21 0.00 3.18 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 107 H 8.49 4.00 0.00 3.29 3.48 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.80 3.48 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 0.35 0.00 0.00 0.70 0.00 0.00 109 M 8.05 4.07 0.00 2.23 2.34 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 2.63 2.64 0.00 110 T 7.92 4.59 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 1.28 0.00 0.00 111 N 7.54 4.16 0.00 2.82 3.09 0.00 0.00 7.11 7.74 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 0.00 112 L 7.27 4.23 0.00 1.76 1.67 0.89 0.81 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 0.00 113 G 7.82 4.25 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 0.00 0.00 0.00 114 E 8.12 4.75 0.00 2.25 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 2.21 2.28 0.00 115 K 8.40 4.79 0.00 1.66 1.69 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.47 7.81 116 L 8.33 4.72 0.00 1.61 1.58 0.94 0.98 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 0.00 117 T 8.27 4.31 4.41 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 1.25 0.00 0.00 118 D 8.82 4.40 0.00 2.76 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 0.00 119 E 8.12 4.00 0.00 2.06 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 2.42 0.00 120 E 8.44 3.92 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 2.31 2.32 0.00 121 V 7.74 3.57 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 1.12 0.00 0.00 0.99 0.00 0.00 122 D 8.37 4.35 0.00 2.76 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 0.00 123 E 8.19 3.90 0.00 2.14 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 2.32 2.42 0.00 124 M 7.97 4.06 0.00 2.15 2.27 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.60 0.00 125 I 7.93 3.69 2.00 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 1.69 0.94 0.97 0.00 0.00 126 R 8.30 3.90 0.00 1.98 2.03 0.00 3.17 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 127 E 8.20 4.04 0.00 2.14 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 2.31 2.32 0.00 128 A 7.60 4.47 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 0.00 129 D 8.06 4.52 0.00 2.86 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 0.00 130 I 8.54 3.94 1.89 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 1.47 0.82 0.92 0.00 0.00 131 D 8.19 4.52 0.00 2.82 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 0.00 132 G 8.32 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 0.00 133 D 7.90 4.43 0.00 2.76 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 0.00 134 G 9.81 3.93 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 0.00 0.00 0.00 135 Q 8.01 4.73 0.00 2.22 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.59 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 136 V 9.04 4.72 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 1.20 0.00 0.00 0.99 0.00 0.00 137 N 9.72 5.00 0.00 2.76 3.21 0.00 0.00 6.18 7.56 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 0.00 138 Y 8.34 3.57 0.00 2.12 2.72 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 0.00 139 E 8.17 3.78 0.00 2.22 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 0.00 2.40 2.47 0.00 140 E 8.79 4.05 0.00 2.25 2.20 0.00 0.00 0.00 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 2.49 0.00 141 F 7.89 4.12 0.00 3.32 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 0.00 142 V 7.45 3.52 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 0.83 0.00 0.00 0.40 0.00 0.00 143 Q 7.33 3.93 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 144 M 7.28 4.35 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.40 0.00 145 M 7.66 4.18 0.00 1.77 1.65 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.77 0.00 * Residues marked with a * may have inaccurate shift predictions.