NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3449 8.3149 120.1415 55.3887 33.6392 175.5184 2 P 4.3265 0.0000 0.0000 61.7817 32.0650 176.4343 3 G 3.6449 9.0649 111.5643 48.2083 0.0000 175.2628 4 A 3.9530 8.2318 122.2953 55.7068 18.2790 178.7189 5 M 3.9348 7.6320 114.2383 57.7618 31.5282 176.7150 6 Y 4.8315 8.2412 113.6387 57.0165 40.3526 177.1366 7 R 4.2351 8.0381 117.0613 58.2194 29.9384 176.2912 8 N 4.9400 7.3299 116.6027 52.7083 39.7704 175.0949 9 S 4.7942 8.2315 116.1465 58.4224 63.2644 175.5914 10 S 4.3509 7.9578 115.2008 59.6627 63.8272 174.5534 11 K 4.3834 7.7053 119.8920 54.4067 33.0973 174.4174 12 P 4.4479 0.0000 0.0000 62.2718 31.8735 176.2381 13 A 4.3576 8.4236 123.3065 52.3437 18.9628 177.2457 14 Y 4.8770 8.8113 123.8678 55.8459 39.1485 175.1957 15 T 4.5781 8.0251 111.1977 60.4666 70.8932 175.6635 16 R 4.2703 7.6876 122.3260 55.6500 28.6535 177.0304 17 R 4.0836 8.2671 122.8008 58.1960 30.3797 178.6800 18 E 3.9944 7.7646 114.5386 57.8899 29.8407 176.7253 19 Y 4.8383 7.9832 115.3039 57.3985 39.5321 175.1763 20 I 4.6132 7.3820 119.9996 59.2835 39.8602 174.9222 21 S 4.7247 8.4418 118.6110 57.4405 65.8524 173.3124 22 G 3.8099 8.7249 106.5145 46.5638 0.0000 173.5874 23 I 4.0025 7.7398 120.6161 59.4785 37.6545 174.5993 24 P 4.3646 0.0000 0.0000 62.2895 31.8289 176.6230 25 G 3.7985 8.2826 109.9671 45.0105 0.0000 173.3652 26 K 4.1721 8.2822 121.3594 56.0373 32.8042 177.1722 27 K 4.3059 8.7756 122.9473 56.8573 32.6753 177.1132 28 I 3.9655 7.6184 120.7837 61.2400 37.3644 175.7366 29 A 4.1780 9.7892 130.4077 54.8879 18.4416 177.1809 30 Q 4.8200 7.5342 110.8880 54.9658 33.2352 174.2042 31 F 4.4882 9.0091 116.0702 57.3449 42.2570 174.8959 32 D 5.5712 8.4122 118.1088 52.8003 42.8708 175.5526 33 M 4.8123 9.1587 122.3368 53.9751 36.3973 176.3206 34 G 3.3934 8.8300 106.6608 46.6840 0.0000 176.6228 35 N 4.6107 8.3689 113.9437 52.1682 36.8929 175.2390 36 N 4.6493 8.1870 116.8227 53.7369 38.4181 177.6082 37 G 3.5987 8.0565 108.1762 48.1825 0.0000 174.1546 38 A 4.3854 7.5535 121.8149 51.0484 19.8042 176.6364 39 G 4.0853 8.0638 108.2765 43.0190 0.0000 172.4347 40 P 4.3302 0.0000 0.0000 62.7231 29.2072 176.9805 41 T 4.6436 7.8542 114.3297 61.3412 69.6076 174.6196 42 Y 4.7338 7.9226 117.7621 56.8000 40.8538 174.9131 43 P 4.3895 0.0000 0.0000 65.3673 31.9153 176.7079 44 A 5.6732 8.1333 119.7385 49.8053 21.7561 175.9316 45 Q 4.4908 8.5416 121.4450 54.6904 31.9879 173.6742 46 V 4.8888 8.0936 127.0023 61.4599 34.3163 174.3565 47 E 4.9477 9.8365 124.9680 54.4462 34.3373 174.3673 48 L 4.2984 7.7886 125.1786 53.4490 43.7474 175.1196 49 V 4.7217 8.4346 127.7756 61.1022 33.0449 175.1117 50 V 3.9722 8.4011 128.6582 63.0066 32.4577 175.8690 51 E 4.6644 8.4444 125.6258 56.1104 30.1764 176.0885 52 K 4.5754 7.6210 118.0917 54.1585 36.2501 173.8843 53 P 5.0579 0.0000 0.0000 62.7691 32.1072 175.9079 54 V 4.5350 8.0868 115.3952 60.8833 36.6789 172.2923 55 Q 5.0640 8.7519 120.5137 54.4106 31.2203 176.0111 56 I 4.4808 8.6816 123.8929 59.2458 40.2301 175.7118 57 R 4.4369 8.6362 126.7800 56.1000 30.7999 177.7787 58 H 4.2090 8.8746 117.2822 58.4712 28.1523 177.7895 59 N 4.1169 7.9060 119.1091 56.4426 38.4598 176.9547 60 A 4.0316 7.8641 121.5292 54.8267 18.4506 179.4538 61 L 3.8356 7.8748 117.6844 57.8968 41.7393 179.1470 62 E 3.8366 8.1554 118.7801 59.4588 29.6255 178.7396 63 A 4.0502 7.9966 120.4106 54.9557 18.2441 179.5417 64 A 3.9578 8.3776 119.6226 55.3101 18.5893 179.8384 65 R 3.7922 8.4961 117.5865 59.7436 30.1689 178.3778 66 V 3.5429 8.4072 118.0090 66.3628 31.2591 177.5728 67 A 3.6873 8.0356 119.4854 55.0747 18.3781 179.2627 68 A 4.3497 7.6567 120.2098 54.5497 18.7997 179.3663 69 N 3.9851 8.6886 115.9874 56.6745 38.8765 177.0555 70 R 3.7715 8.5698 119.7896 59.1704 30.2576 177.1586 71 Y 4.2873 7.4232 118.8627 59.3758 38.8151 177.3584 72 V 3.2747 7.2765 116.4014 62.3248 31.8224 176.7580 73 Q 4.5117 7.6098 119.9907 55.7742 27.4884 175.1947 74 N 4.7136 7.3166 112.6063 52.8726 41.0119 174.1545 75 S 4.5036 7.6127 111.5471 58.0937 65.0817 174.9835 76 G 3.9797 8.3027 107.7280 44.8257 0.0000 174.3097 77 A 3.9946 8.6340 124.3706 54.4386 18.3473 178.2016 78 A 4.6377 7.6967 116.7628 51.5100 19.6310 175.9184 79 A 4.1680 8.0288 122.6900 54.1734 18.9045 178.9783 80 N 4.7357 8.2728 119.0905 51.8325 37.6797 173.2471 81 Y 4.8337 6.9314 119.2414 55.6156 41.2735 173.0377 82 K 5.0678 8.3804 119.1725 55.1852 36.1775 174.5894 83 F 5.9390 9.2821 125.8731 56.7253 42.3181 174.0821 84 R 5.1594 9.4938 124.5191 54.5503 34.1741 173.9814 85 I 4.5529 8.2308 124.6697 59.3253 38.0867 175.4850 86 R 4.3597 8.5258 127.0147 57.5934 29.9869 176.9973 87 K 4.6796 7.7446 118.9351 55.0252 33.8852 175.5991 88 F 4.7041 8.3442 119.4529 54.8906 42.0221 174.6605 89 P 4.6626 0.0000 0.0000 62.6918 29.3129 175.6091 90 F 4.5179 8.1322 125.3936 60.7360 39.9211 175.7828 91 H 4.5910 8.3592 121.8704 56.0063 30.4517 174.9149 92 V 4.3569 8.5260 127.5881 62.5615 32.3512 175.1320 93 I 4.6550 8.8253 121.3214 59.3044 40.2340 175.1642 94 R 5.1140 8.5200 123.6807 54.9558 33.4055 174.8610 95 E 4.5323 8.4056 120.0174 55.2930 33.3652 174.5582 96 N 4.7847 8.8007 127.0736 52.4354 37.9053 174.2766 97 K 4.4035 7.6002 125.1867 54.6402 31.9218 176.3385 *109 D 4.4729 7.6770 119.9125 54.8186 44.0725 171.6685 110 G 4.1524 8.9656 117.5261 46.3486 0.0000 173.2864 111 M 4.3615 9.1400 120.3378 54.8644 33.4317 176.1691 112 R 3.9004 7.8829 119.9272 57.3143 31.3871 176.1469 113 A 3.8083 8.5009 126.7334 52.8398 15.6911 174.8297 114 P 4.7871 0.0000 0.0000 61.7969 32.7718 176.8709 115 F 3.8329 8.4541 121.8366 58.7387 39.2129 174.7567 116 G 3.9648 8.0443 115.4362 46.1452 0.0000 171.7787 117 K 4.8797 8.3483 118.3932 54.0792 35.3442 174.3201 118 P 4.6045 0.0000 0.0000 63.6534 31.2532 176.4111 119 V 4.3065 8.8653 116.1560 60.4378 33.9775 175.8532 120 G 3.8573 7.0686 106.7798 45.9738 0.0000 171.3542 121 T 5.2329 7.3728 107.2305 60.3871 72.8148 172.5526 122 A 5.1033 9.0926 122.7710 50.8402 23.6557 174.6467 123 A 4.9677 9.0219 121.2524 50.2435 21.6740 176.1713 124 R 4.7946 8.7022 121.8721 55.2961 31.2674 176.0331 125 V 4.4377 8.6057 124.6282 61.3173 34.3886 174.4395 126 H 4.7539 8.9314 124.4544 53.9860 30.1269 174.8996 127 G 3.8754 8.5054 111.1495 47.7928 0.0000 173.4750 128 A 3.9002 9.8890 126.9984 51.5501 17.9288 177.8958 129 N 4.8511 7.9913 113.6818 52.6605 40.5675 173.6909 130 H 5.1056 8.2150 116.6044 54.4427 29.8318 174.6010 131 I 3.8636 8.4109 123.3193 62.3307 39.3558 175.2938 132 F 5.3194 7.6166 118.9275 55.5553 43.1865 174.4330 133 I 5.0136 9.0967 122.1673 59.7511 41.0623 174.1857 134 A 5.4508 9.5445 128.6740 49.9134 22.9186 174.9408 135 W 5.0330 9.2797 119.5983 54.8502 32.4167 175.2119 136 V 4.9392 8.8440 123.7976 59.9951 34.8043 174.8967 137 N 5.0303 8.9447 119.2024 51.6954 40.1682 172.7557 138 P 4.2156 0.0000 0.0000 64.0406 31.0404 176.2474 139 D 4.7584 7.7781 124.5255 53.5623 42.8773 177.4359 140 P 4.4956 0.0000 0.0000 63.1530 29.4058 176.5716 141 N 4.7118 7.8697 119.1517 53.8323 39.9072 176.7642 142 V 3.0920 7.2609 120.6112 64.4553 31.2036 178.0375 143 E 3.8812 7.7990 117.9288 58.9229 29.2648 178.1753 144 E 4.0342 7.8201 118.4840 58.4488 29.5478 178.0719 145 A 3.8315 7.6278 120.5344 54.2424 18.3089 179.0829 146 W 4.7259 7.7968 116.6235 58.7754 29.3162 178.7324 147 R 3.9796 7.4939 118.0620 59.2223 29.7741 178.2364 148 R 4.0992 7.8731 116.9032 58.0134 30.2671 178.6261 149 A 4.0289 7.8241 121.9361 55.0635 18.6764 179.0385 150 K 4.3360 7.9413 111.1078 57.9638 32.4817 177.4623 151 M 4.1885 7.5039 119.5833 57.2307 32.4114 176.8537 152 K 4.6062 8.0074 116.0648 55.7931 32.7605 175.9582 153 V 4.5227 7.4204 111.2895 59.4731 34.9319 175.5109 154 T 3.9985 8.8791 121.0975 66.3732 68.3523 173.0811 155 P 4.5069 0.0000 0.0000 62.6108 32.2870 175.6062 156 T 4.3925 8.0945 115.2158 63.4609 69.8477 173.9976 157 I 4.9660 8.1313 123.5977 59.6707 41.8854 173.8652 158 N 4.8765 8.9710 122.7697 52.0327 41.1311 173.5116 159 I 4.6646 8.4825 127.5304 60.4173 38.0236 174.3122 160 D 4.9734 8.9656 127.9397 52.3732 43.4822 174.6938 161 S 4.7932 8.3551 120.3058 58.2745 63.7932 171.4057 162 S 4.3882 9.4633 122.6511 58.9804 64.0760 173.2983 163 P 4.3677 0.0000 0.0000 64.0552 32.4484 175.4897 164 A 4.8722 8.0559 128.6208 52.4063 19.7626 175.6959 165 G 4.1064 8.2777 110.8070 45.4538 0.0000 172.3919 166 N 4.7432 7.9934 115.3537 51.5951 37.8230 175.1422 167 A 4.2902 7.5971 124.3989 52.3197 19.1757 177.4582 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 K 8.31 4.34 0.00 1.90 1.92 0.00 2.02 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.54 7.81 2 P 0.00 4.33 0.00 2.26 1.97 0.00 3.62 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 2.11 2.15 0.00 3 G 9.06 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 A 8.23 3.95 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 5 M 7.63 3.93 0.00 1.01 1.88 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.30 0.00 6 Y 8.24 4.83 0.00 3.03 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 7 R 8.04 4.24 0.00 2.00 2.28 0.00 2.95 0.00 0.00 3.45 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 8 N 7.33 4.94 0.00 2.92 2.77 0.00 0.00 6.91 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.23 4.79 0.00 3.82 3.84 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 10 S 7.96 4.35 0.00 3.97 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 11 K 7.71 4.38 0.00 1.84 1.81 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.46 7.81 12 P 0.00 4.45 0.00 2.12 2.05 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 13 A 8.42 4.36 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 14 Y 8.81 4.88 0.00 2.95 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.03 4.58 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 16 R 7.69 4.27 0.00 2.10 2.09 0.00 3.31 0.00 0.00 3.38 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.78 0.00 17 R 8.27 4.08 0.00 1.79 1.93 0.00 3.11 0.00 0.00 3.36 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.59 0.00 18 E 7.76 3.99 0.00 1.43 1.74 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 1.47 1.47 0.00 19 Y 7.98 4.84 0.00 2.90 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.38 4.61 1.74 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.64 0.86 0.00 0.00 21 S 8.44 4.72 0.00 3.93 3.81 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 0.00 0.00 0.00 22 G 8.72 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.74 4.00 1.85 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 1.39 0.56 0.88 0.00 0.00 24 P 0.00 4.36 0.00 2.00 1.98 0.00 3.64 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 25 G 8.28 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 0.00 0.00 0.00 26 K 8.28 4.17 0.00 1.75 1.78 0.00 1.87 0.00 0.00 1.79 0.00 0.00 3.14 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.61 1.52 7.81 27 K 8.78 4.31 0.00 1.74 1.82 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.41 1.49 7.81 28 I 7.62 3.97 1.89 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.44 0.20 0.00 0.00 29 A 9.79 4.18 1.28 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 0.00 0.00 0.00 30 Q 7.53 4.82 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 31 F 9.01 4.49 0.00 3.07 3.09 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 32 D 8.41 5.57 0.00 2.66 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 33 M 9.16 4.81 0.00 2.21 2.37 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 2.67 2.74 0.00 34 G 8.83 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 0.00 0.00 0.00 35 N 8.37 4.61 0.00 2.77 2.79 0.00 0.00 7.18 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 N 8.19 4.65 0.00 2.85 2.99 0.00 0.00 6.32 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 37 G 8.06 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 38 A 7.55 4.39 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 39 G 8.06 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 40 P 0.00 4.33 0.00 1.65 0.76 0.00 3.40 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.94 0.00 41 T 7.85 4.64 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 1.19 0.00 0.00 42 Y 7.92 4.73 0.00 3.16 3.25 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 43 P 0.00 4.39 0.00 2.13 2.16 0.00 4.03 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 44 A 8.13 5.67 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 45 Q 8.54 4.49 0.00 2.33 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 1.99 1.43 0.00 46 V 8.09 4.89 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 1.26 0.00 0.00 0.88 0.00 0.00 47 E 9.84 4.95 0.00 1.72 1.65 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 2.05 2.31 0.00 48 L 7.79 4.30 0.00 0.27 1.00 0.76 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.43 4.72 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 1.02 0.00 0.00 0.90 0.00 0.00 50 V 8.40 3.97 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 0.86 0.00 0.00 0.85 0.00 0.00 51 E 8.44 4.66 0.00 1.96 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 2.25 2.25 0.00 52 K 7.62 4.58 0.00 1.67 1.63 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.44 7.81 53 P 0.00 5.06 0.00 1.82 1.64 0.00 3.71 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 54 V 8.09 4.53 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 0.70 0.00 0.00 0.94 0.00 0.00 55 Q 8.75 5.06 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.69 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 56 I 8.68 4.48 1.82 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 1.20 0.65 0.86 0.00 0.00 57 R 8.64 4.44 0.00 1.85 1.83 0.00 2.91 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 58 H 8.87 4.21 0.00 3.34 3.50 0.00 5.27 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 59 N 7.91 4.12 0.00 2.73 2.83 0.00 0.00 7.05 7.75 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 60 A 7.86 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 61 L 7.87 3.84 0.00 1.77 1.56 0.73 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.16 3.84 0.00 2.11 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 2.35 2.37 0.00 63 A 8.00 4.05 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 64 A 8.38 3.96 1.64 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 65 R 8.50 3.79 0.00 2.19 2.11 0.00 3.14 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.85 0.00 66 V 8.41 3.54 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 0.97 0.00 0.00 1.00 0.00 0.00 67 A 8.04 3.69 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 68 A 7.66 4.35 1.55 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 0.00 0.00 69 N 8.69 3.99 0.00 3.00 2.91 0.00 0.00 6.93 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 70 R 8.57 3.77 0.00 1.87 2.05 0.00 3.33 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 71 Y 7.42 4.29 0.00 3.22 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 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6.84 7.54 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 81 Y 6.93 4.83 0.00 3.14 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 82 K 8.38 5.07 0.00 2.00 1.93 0.00 1.37 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.06 1.54 7.81 83 F 9.28 5.94 0.00 3.31 3.18 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 0.00 84 R 9.49 5.16 0.00 2.00 1.98 0.00 3.39 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.09 0.00 85 I 8.23 4.55 1.54 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 -0.04 0.48 0.00 0.00 86 R 8.53 4.36 0.00 1.96 2.15 0.00 3.19 0.00 0.00 3.41 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.72 0.00 87 K 7.74 4.68 0.00 1.61 1.74 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.27 1.31 7.81 88 F 8.34 4.70 0.00 2.09 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 0.00 0.00 0.00 89 P 0.00 4.66 0.00 2.13 2.06 0.00 3.75 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.99 0.00 90 F 8.13 4.52 0.00 3.16 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 91 H 8.36 4.59 0.00 3.41 3.38 0.00 5.77 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.53 4.36 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 0.88 0.00 0.00 0.83 0.00 0.00 93 I 8.83 4.65 1.65 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.40 0.99 0.00 0.00 94 R 8.52 5.11 0.00 1.54 1.79 0.00 2.40 0.00 0.00 2.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.39 0.00 95 E 8.41 4.53 0.00 2.12 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 96 N 8.80 4.78 0.00 2.93 2.67 0.00 0.00 6.89 6.24 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 125 V 8.61 4.44 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 0.92 0.00 0.00 0.87 0.00 0.00 126 H 8.93 4.75 0.00 3.30 3.21 0.00 5.89 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.51 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 A 9.89 3.90 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 0.00 129 N 7.99 4.85 0.00 2.67 2.66 0.00 0.00 6.57 8.26 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 0.00 130 H 8.21 5.11 0.00 3.00 3.17 0.00 5.52 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.41 3.86 1.64 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.97 0.68 0.00 0.00 132 F 7.62 5.32 0.00 2.31 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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141 N 7.87 4.71 0.00 2.53 2.69 0.00 0.00 6.75 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 V 7.26 3.09 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 0.50 0.00 0.00 -0.41 0.00 0.00 143 E 7.80 3.88 0.00 1.86 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 2.35 0.00 144 E 7.82 4.03 0.00 2.01 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 0.00 2.10 1.80 0.00 145 A 7.63 3.83 1.10 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 0.00 0.00 146 W 7.80 4.73 0.00 3.48 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 0.00 147 R 7.49 3.98 0.00 1.77 1.98 0.00 3.21 0.00 0.00 3.31 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 148 R 7.87 4.10 0.00 1.94 1.87 0.00 2.79 0.00 0.00 3.18 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 149 A 7.82 4.03 1.38 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 0.00 0.00 150 K 7.94 4.34 0.00 1.89 1.93 0.00 1.64 0.00 0.00 1.97 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.52 7.81 151 M 7.50 4.19 0.00 2.20 2.33 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 152 K 8.01 4.61 0.00 1.78 1.78 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.37 7.81 153 V 7.42 4.52 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 0.76 0.00 0.00 0.93 0.00 0.00 154 T 8.88 4.00 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 0.00 155 P 0.00 4.51 0.00 2.15 2.04 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 156 T 8.09 4.39 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 1.24 0.00 0.00 157 I 8.13 4.97 1.85 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 1.19 0.76 0.86 0.00 0.00 158 N 8.97 4.88 0.00 2.88 2.63 0.00 0.00 7.49 8.38 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 0.00 159 I 8.48 4.66 1.95 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.78 1.14 0.00 0.00 160 D 8.97 4.97 0.00 2.71 2.49 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 0.00 161 S 8.36 4.79 0.00 3.94 3.75 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 0.00 162 S 9.46 4.39 0.00 3.90 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 P 0.00 4.37 0.00 2.32 2.12 0.00 3.79 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.19 0.00 164 A 8.06 4.87 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 0.00 165 G 8.28 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 0.00 166 N 7.99 4.74 0.00 2.73 2.81 0.00 0.00 7.02 7.35 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 0.00 167 A 7.60 4.29 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 * Residues marked with a * may have inaccurate shift predictions.