NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.0732 8.3331 121.7115 56.8883 30.1777 172.7922 3 G 3.6438 8.7948 114.9023 44.9657 0.0000 172.1537 4 D 4.4183 9.3122 126.6155 53.7310 44.0017 173.6221 5 P 4.2684 0.0000 0.0000 65.7263 31.4204 178.7571 6 D 4.3779 8.1579 117.5740 57.1417 40.6375 178.9397 7 V 3.5816 7.8792 118.3713 66.0271 31.5755 177.9612 8 L 3.9733 8.1168 118.8453 57.7304 41.4020 179.5181 9 R 3.8636 7.9708 118.5536 59.1325 30.0198 178.3682 10 L 3.9232 7.9378 120.2537 58.0602 42.0584 178.8999 11 L 3.9758 8.1168 119.0925 58.0777 41.6311 179.3889 12 N 4.2990 8.4090 116.4677 56.1306 38.5002 177.1748 13 E 3.9332 8.0852 121.0299 59.1873 29.6413 178.6374 14 Q 3.9491 8.1780 119.7741 58.8342 29.1075 177.7713 15 L 3.8323 8.0149 121.6669 58.4979 42.0899 179.1504 16 T 3.7675 7.8671 115.6081 66.5708 68.2495 176.5824 17 S 4.0353 7.8446 114.7764 61.3311 62.3077 176.0835 18 E 3.8659 8.3037 121.5730 59.4326 29.2560 179.3537 19 L 3.8521 7.8409 118.9343 57.8541 41.5619 179.7584 20 T 3.7007 7.7922 115.4499 66.6308 68.3733 176.4820 21 A 3.3363 7.9302 122.7583 54.8922 18.1499 179.7404 22 I 3.5045 7.7259 118.3704 64.5628 37.1548 178.2878 23 N 4.2744 7.8469 117.0452 56.3912 38.4041 177.2881 24 Q 3.8618 8.0335 120.7402 59.4576 29.1907 177.8670 25 Y 4.4103 8.1280 118.1271 61.0614 37.9042 178.3564 26 F 4.0213 8.5660 121.7891 61.1528 39.3023 176.8749 27 L 3.8475 8.0059 118.6660 58.6096 42.0072 178.0612 28 H 4.2523 8.0159 114.9750 59.1271 28.8433 177.5438 29 S 4.4303 7.8868 115.8357 61.1387 62.7562 177.1281 30 K 3.9242 7.4134 119.3467 56.6671 31.5017 178.8374 *32 Q 4.4251 8.0289 120.3283 56.1610 30.4754 177.1320 33 D 4.2587 8.2698 117.5475 57.2864 41.2897 177.8941 34 N 4.4318 8.0240 116.4066 55.8260 39.0168 175.6948 35 W 4.4848 7.7254 116.2390 57.5945 29.4575 176.9705 36 G 3.8590 7.8713 106.2935 45.2732 0.0000 174.9001 37 F 4.9563 7.7480 121.4704 56.9225 35.2222 176.5611 38 T 4.2505 7.5269 112.9687 63.9348 69.1571 176.8348 39 E 3.9819 8.0813 121.4909 59.3886 29.6289 178.9417 40 L 3.9671 8.0410 119.6524 57.9553 42.1568 178.4172 41 A 4.1666 8.2821 120.7360 55.3026 18.3820 179.4884 42 A 3.9313 7.7941 118.7174 55.3534 18.4952 179.4145 43 H 3.9917 7.8804 116.3857 59.8460 29.9126 177.6859 44 T 3.9289 8.0739 117.5623 66.5477 68.2581 176.5420 45 R 3.9751 8.2891 120.5620 59.5398 30.1380 178.4881 46 A 4.1687 8.0032 120.0530 55.2061 18.2885 179.4361 47 E 3.9280 8.1227 117.3125 59.4909 29.2299 179.6835 48 S 4.3913 7.9143 113.5246 61.3910 63.3370 176.3070 49 F 4.1541 8.1061 120.2397 60.1140 38.9603 176.8333 50 D 4.5088 8.3387 118.0490 56.9530 41.1911 178.0982 51 E 4.5730 8.0462 120.0928 56.1349 29.3756 179.0353 *53 R 4.2350 7.9654 120.2677 56.8346 32.4404 176.6801 54 H 4.2358 8.1066 114.1800 59.0023 28.6733 177.3343 55 A 3.9676 8.1920 122.5984 55.3993 18.0432 179.3925 56 E 3.9528 8.1155 117.0145 59.3467 29.8882 178.5132 57 E 3.9834 8.2327 118.6601 59.6103 29.4850 179.4494 58 I 3.7200 7.8791 119.6014 64.6815 37.1812 178.4737 59 T 3.9358 7.9527 116.5110 66.8835 68.2642 176.2328 60 D 4.3806 8.4778 120.9720 57.4245 40.9923 178.9278 61 R 3.8806 8.1187 119.0784 59.4123 30.0144 178.5567 62 I 3.7242 8.0487 119.8714 64.4408 37.0752 178.4357 63 L 3.9856 8.0438 119.7374 57.7716 41.2540 179.3282 64 L 3.9831 7.9835 119.1916 57.6439 41.9882 177.9917 65 L 4.4189 7.4049 116.0967 53.9891 41.6944 176.4358 66 D 4.4583 7.9900 117.5401 55.1269 38.6669 174.3092 67 G 3.9065 8.1962 109.1713 44.4356 0.0000 173.7587 68 L 4.6144 8.0180 119.2957 52.7938 41.3986 174.7946 69 P 4.3805 0.0000 0.0000 62.4424 31.8153 175.9978 70 N 4.6706 9.1657 122.4384 53.1936 38.0855 173.7983 71 Y 4.4208 8.6171 122.0758 57.7656 38.5159 176.5049 72 Q 4.2837 8.5170 122.6901 56.5189 29.9635 175.5381 73 R 4.5127 7.9672 117.7386 54.3176 31.4604 174.7562 74 I 4.4876 8.0502 124.3134 58.8614 40.9954 174.9900 75 G 3.9228 8.4121 115.3083 44.3956 0.0000 173.2824 76 S 4.3014 8.3059 115.5810 58.0292 63.3286 174.1544 77 L 4.5294 8.4216 125.6768 53.8397 42.9617 177.7207 78 R 4.6442 8.4250 121.4384 54.7891 28.7620 176.6167 79 I 3.8831 7.5811 119.0004 62.1948 38.0592 177.2465 80 G 4.0512 8.7537 114.3562 45.1387 0.0000 173.0676 81 Q 4.9410 9.1667 116.3479 55.5303 30.2712 176.2405 82 T 4.4072 7.4769 108.0738 58.6335 73.4094 174.4734 83 L 3.7716 8.1759 121.1486 58.0609 41.6481 179.8343 84 R 4.0087 7.8289 117.9365 59.5096 30.0331 178.2282 85 E 4.0188 8.0690 117.9617 59.4337 29.4354 179.3636 86 Q 3.8283 8.1168 118.1389 58.8016 28.7079 178.7702 87 F 4.4572 7.8547 118.7487 60.7977 39.1083 177.6201 88 E 4.0471 8.4826 117.9595 59.3150 29.3422 179.3058 89 A 4.0999 8.5441 121.3083 55.4128 18.3144 179.4765 90 D 4.7598 8.3993 117.3782 57.2284 40.9051 178.7622 91 L 3.7563 8.1318 121.0095 57.6903 41.9546 178.7082 92 A 4.1838 7.8749 120.5520 55.5209 18.4546 179.7745 93 I 3.7893 7.5375 116.8118 64.4035 37.1690 178.5980 94 E 4.0306 7.9877 119.6243 59.6227 29.1903 179.0007 95 Y 4.3811 7.8613 116.8009 61.2465 38.0374 178.1763 96 D 4.4094 8.1511 119.5837 57.2553 40.8154 179.0297 97 V 3.6000 7.7999 118.5351 66.0274 31.5653 178.0529 98 L 4.0121 7.9149 118.5192 58.0437 41.2738 179.2287 99 N 4.3569 8.2722 115.3829 56.1988 38.5642 176.9743 100 R 4.1399 7.9727 119.6074 58.9976 30.3116 178.2854 101 L 4.1168 8.1884 118.5995 56.9097 41.5096 179.1718 102 K 3.9164 7.7984 118.1191 59.3344 32.1153 177.1836 103 P 4.4963 0.0000 0.0000 65.3701 31.1111 178.8544 104 G 3.7759 7.6218 103.9625 47.9039 0.0000 175.4350 105 I 3.9284 8.1016 122.3914 64.0147 37.1039 179.4464 106 V 3.3773 7.1804 114.9315 63.9651 31.2123 177.2468 *108 C 4.4951 8.2313 117.1667 59.4921 30.0132 176.4775 109 R 3.9286 7.9738 118.4538 59.2538 29.3210 178.7848 110 E 3.9750 8.0677 117.3797 59.4283 29.6066 178.9180 111 K 4.2373 7.7840 114.3537 55.9968 32.3825 176.7419 112 Q 3.6153 8.0025 117.4451 57.1801 26.9463 174.0202 113 D 4.7814 8.0833 120.0968 53.0025 40.3776 176.3626 114 T 4.0558 7.9563 115.4172 64.1743 69.3653 176.9464 115 T 3.8677 7.8356 118.2794 66.6341 68.5675 176.5681 116 S 4.1241 8.1578 116.6621 61.4423 62.7590 176.5680 117 A 3.9687 7.8313 123.1969 55.2426 18.1888 179.8969 118 V 3.5033 8.3712 117.0719 65.8863 31.4509 177.7490 119 L 3.9280 7.9501 120.1499 58.4818 41.8725 179.1041 120 L 4.0620 7.9448 118.4810 57.4786 41.6093 179.1985 121 E 3.9910 8.4525 119.0392 59.3402 29.3575 179.5284 122 K 4.0547 8.0719 118.5136 59.3592 32.0338 179.5511 123 I 3.6190 7.5481 120.3226 64.1968 36.9296 178.5718 124 V 3.5611 7.9926 118.9583 65.9182 31.0193 177.8406 125 A 4.0067 7.9544 120.3652 55.2831 18.3297 179.3389 126 D 4.3693 8.2392 117.2183 57.7731 40.9904 178.9935 127 E 4.1009 8.5008 119.1973 59.3932 29.4745 179.1798 128 E 4.0743 8.4539 118.8385 59.5802 29.4956 179.3367 129 E 4.0350 8.0006 118.2777 59.6215 29.4736 178.8894 130 H 4.3789 8.2115 118.1128 59.0936 29.8556 177.2284 131 I 3.5166 8.2420 122.2102 64.5133 36.9832 177.8121 132 D 4.2998 8.0616 118.5412 57.3472 41.0398 177.5961 133 Y 4.0408 7.9426 120.0403 60.6762 38.8452 178.1988 134 L 3.3376 7.9389 119.7980 57.7284 41.7464 179.3351 135 E 3.8784 8.2814 118.8232 59.7098 29.3519 179.6774 136 T 3.7786 7.7714 115.7481 66.5562 68.2323 176.8475 137 Q 3.6156 7.2143 119.0598 58.6352 28.5922 178.4346 138 L 3.9122 7.3049 121.4895 58.3771 41.9234 179.7978 139 E 4.1039 7.9929 118.2073 60.6231 29.5860 181.1855 140 L 4.2449 7.5573 119.4949 54.8950 41.5975 179.1019 *142 D 4.5274 8.0750 119.9630 54.4525 42.8643 177.5876 143 K 4.1362 8.0358 117.2970 59.0407 32.1931 178.2435 144 L 4.2117 8.2567 117.8454 54.7834 42.5139 178.2594 145 G 4.0611 8.0751 103.6155 45.6360 0.0000 173.9582 146 E 3.9515 8.8282 120.3887 59.3548 29.5832 179.4767 147 E 3.9888 8.1930 117.8648 59.6494 29.4051 179.2434 148 L 4.0131 7.8645 118.1405 58.0878 42.4912 177.8914 149 Y 4.1218 8.2464 119.6401 60.8982 38.7214 178.1536 150 S 3.9590 8.6061 116.2261 61.5252 62.6922 176.5471 151 A 4.0883 7.9704 122.2943 54.5813 18.1670 178.6965 152 Q 4.2083 7.7035 114.5515 56.7196 29.2695 176.0833 153 C 4.6296 8.1696 117.7674 59.4117 29.1263 173.7306 154 V 4.6140 7.5022 113.0002 59.4793 33.5479 175.2936 155 S 4.4990 8.2468 116.5482 57.4859 64.4378 173.8034 156 R 4.4157 8.1795 119.1681 53.7371 30.7456 174.2859 157 P 4.6312 0.0000 0.0000 60.6363 32.7289 174.3368 158 P 4.4368 0.0000 0.0000 63.2118 32.0431 176.5526 159 T 4.9059 7.6970 120.9435 62.6249 70.1573 171.6238 160 S 4.5226 8.1524 116.4190 58.0937 65.8153 174.0078 161 A 4.0160 8.7004 121.8625 54.2340 18.2287 177.7709 162 W 4.4776 7.6682 119.3801 56.8464 29.8549 175.1506 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 2 Q 8.33 4.07 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 5.50 0.00 0.00 0.00 0.00 0.00 2.24 2.43 0.00 3 G 8.79 3.64 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 0.00 0.00 0.00 4 D 9.31 4.42 0.00 2.80 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.27 0.00 2.20 2.08 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 6 D 8.16 4.38 0.00 2.91 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 7 V 7.88 3.58 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 1.18 0.00 0.00 0.99 0.00 0.00 8 L 8.12 3.97 0.00 1.73 1.70 0.92 0.67 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 9 R 7.97 3.86 0.00 2.06 2.04 0.00 3.09 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 10 L 7.94 3.92 0.00 1.81 1.83 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.12 3.98 0.00 1.88 1.70 0.92 0.92 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 12 N 8.41 4.30 0.00 2.85 2.85 0.00 0.00 6.72 8.34 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 13 E 8.09 3.93 0.00 2.29 1.92 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 2.29 2.30 0.00 14 Q 8.18 3.95 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.57 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 15 L 8.01 3.83 0.00 1.80 1.75 0.68 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 16 T 7.87 3.77 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 1.16 0.00 0.00 17 S 7.84 4.04 0.00 3.89 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 18 E 8.30 3.87 0.00 2.06 1.92 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 2.58 2.46 0.00 19 L 7.84 3.85 0.00 1.68 1.59 0.60 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.79 3.70 4.29 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 0.00 0.00 0.00 1.11 0.00 0.00 21 A 7.93 3.34 0.94 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 0.00 0.00 22 I 7.73 3.50 1.89 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.59 0.75 0.00 0.00 23 N 7.85 4.27 0.00 2.77 2.84 0.00 0.00 6.76 8.10 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 24 Q 8.03 3.86 0.00 2.08 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.51 2.28 0.00 25 Y 8.13 4.41 0.00 3.03 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 26 F 8.57 4.02 0.00 3.13 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 27 L 8.01 3.85 0.00 1.76 1.65 0.90 1.29 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 28 H 8.02 4.25 0.00 3.39 3.30 0.00 5.73 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 7.89 4.43 0.00 4.22 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 0.00 30 K 7.41 3.92 0.00 1.69 1.65 0.00 1.28 0.00 0.00 0.87 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.87 1.30 7.81 *32 Q 8.03 4.43 0.00 2.27 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.89 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 33 D 8.27 4.26 0.00 2.80 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 34 N 8.02 4.43 0.00 2.66 2.58 0.00 0.00 7.33 8.21 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 35 W 7.73 4.48 0.00 3.55 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 36 G 7.87 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 0.00 0.00 0.00 37 F 7.75 4.96 0.00 3.37 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 38 T 7.53 4.25 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 1.36 0.00 0.00 39 E 8.08 3.98 0.00 2.07 2.06 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 2.29 2.48 0.00 40 L 8.04 3.97 0.00 1.84 1.79 1.24 1.15 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 41 A 8.28 4.17 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.79 3.93 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 43 H 7.88 3.99 0.00 3.40 3.52 0.00 5.79 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 44 T 8.07 3.93 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 1.28 0.00 0.00 45 R 8.29 3.98 0.00 1.99 2.17 0.00 3.14 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.94 0.00 46 A 8.00 4.17 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 47 E 8.12 3.93 0.00 2.15 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 2.41 2.32 0.00 48 S 7.91 4.39 0.00 4.23 4.19 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 49 F 8.11 4.15 0.00 3.21 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 50 D 8.34 4.51 0.00 3.01 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 51 E 8.05 4.57 0.00 2.17 1.91 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 2.70 2.51 0.00 *53 R 7.97 4.23 0.00 1.89 2.16 0.00 3.20 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 54 H 8.11 4.24 0.00 3.40 3.31 0.00 5.71 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.19 3.97 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 56 E 8.12 3.95 0.00 2.09 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 2.40 2.44 0.00 57 E 8.23 3.98 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 2.36 2.39 0.00 58 I 7.88 3.72 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.86 0.92 0.00 0.00 59 T 7.95 3.94 4.51 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 1.34 0.00 0.00 60 D 8.48 4.38 0.00 2.89 2.73 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 61 R 8.12 3.88 0.00 1.94 2.08 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 62 I 8.05 3.72 2.03 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 0.70 0.95 0.00 0.00 63 L 8.04 3.99 0.00 1.85 1.72 0.92 0.34 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 64 L 7.98 3.98 0.00 1.80 1.86 0.93 1.00 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 65 L 7.40 4.42 0.00 1.86 1.68 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 66 D 7.99 4.46 0.00 2.82 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 67 G 8.20 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 68 L 8.02 4.61 0.00 1.73 1.69 0.93 0.64 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 69 P 0.00 4.38 0.00 2.35 2.20 0.00 3.71 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 70 N 9.17 4.67 0.00 2.72 2.73 0.00 0.00 7.08 7.93 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 71 Y 8.62 4.42 0.00 2.90 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 72 Q 8.52 4.28 0.00 2.02 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.61 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 73 R 7.97 4.51 0.00 1.78 1.77 0.00 3.21 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 1.50 1.57 0.00 74 I 8.05 4.49 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.00 0.89 0.00 0.00 75 G 8.41 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 76 S 8.31 4.30 0.00 3.88 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 77 L 8.42 4.53 0.00 1.60 1.59 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 78 R 8.42 4.64 0.00 1.97 1.98 0.00 3.30 0.00 0.00 3.29 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.79 0.00 79 I 7.58 3.88 1.92 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.81 0.99 0.00 0.00 80 G 8.75 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 81 Q 9.17 4.94 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.66 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 82 T 7.48 4.41 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 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0.00 1.97 1.85 0.58 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 92 A 7.87 4.18 1.51 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 0.00 0.00 93 I 7.54 3.79 1.98 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 1.56 1.33 0.88 0.00 0.00 94 E 7.99 4.03 0.00 1.85 1.90 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 2.68 2.47 0.00 95 Y 7.86 4.38 0.00 3.21 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 96 D 8.15 4.41 0.00 2.88 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 97 V 7.80 3.60 2.31 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 1.12 0.00 0.00 1.04 0.00 0.00 98 L 7.91 4.01 0.00 2.03 1.77 1.02 0.73 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 99 N 8.27 4.36 0.00 2.89 2.91 0.00 0.00 7.02 8.20 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 R 7.97 3.93 0.00 2.01 1.98 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 110 E 8.07 3.97 0.00 1.94 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 2.35 2.37 0.00 111 K 7.78 4.24 0.00 1.88 1.84 0.00 2.10 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.47 7.81 112 Q 8.00 3.62 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.09 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 113 D 8.08 4.78 0.00 2.63 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 0.00 114 T 7.96 4.06 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 0.00 115 T 7.84 3.87 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 1.22 0.00 0.00 116 S 8.16 4.12 0.00 4.02 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 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0.00 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 L 7.94 3.34 0.00 1.69 1.51 0.70 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.28 3.88 0.00 1.97 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 2.36 2.46 0.00 136 T 7.77 3.78 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 1.12 0.00 0.00 137 Q 7.21 3.62 0.00 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.96 0.00 0.00 0.00 0.00 0.00 1.20 1.44 0.00 138 L 7.30 3.91 0.00 1.62 1.61 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 139 E 7.99 4.10 0.00 1.99 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 2.24 2.22 0.00 140 L 7.56 4.24 0.00 1.72 1.81 0.97 0.82 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 *142 D 8.08 4.53 0.00 2.81 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 0.00 143 K 8.04 4.14 0.00 1.75 1.86 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.48 7.81 144 L 8.26 4.21 0.00 1.69 1.77 1.02 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 145 G 8.08 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 0.00 0.00 0.00 146 E 8.83 3.95 0.00 2.02 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 2.36 2.38 0.00 147 E 8.19 3.99 0.00 2.07 2.04 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 2.42 2.46 0.00 148 L 7.86 4.01 0.00 1.64 1.85 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 149 Y 8.25 4.12 0.00 3.17 3.12 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 0.00 150 S 8.61 3.96 0.00 4.11 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 0.00 151 A 7.97 4.09 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 0.00 152 Q 7.70 4.21 0.00 1.80 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.74 0.00 0.00 0.00 0.00 0.00 2.55 2.42 0.00 153 C 8.17 4.63 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.50 4.61 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 1.00 0.00 0.00 1.01 0.00 0.00 155 S 8.25 4.50 0.00 3.98 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 0.00 156 R 8.18 4.42 0.00 1.78 1.90 0.00 3.20 0.00 0.00 3.28 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 157 P 0.00 4.63 0.00 2.16 2.06 0.00 3.52 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 1.98 2.10 0.00 158 P 0.00 4.44 0.00 2.05 2.03 0.00 3.62 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 2.03 2.12 0.00 159 T 7.70 4.91 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 1.23 0.00 0.00 160 S 8.15 4.52 0.00 4.01 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 0.00 161 A 8.70 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 W 7.67 4.48 0.00 3.27 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 * Residues marked with a * may have inaccurate shift predictions.