NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.2619 8.1744 115.2444 62.0915 67.8017 173.1864 4 T 3.8091 7.3741 119.3850 61.1710 68.6061 173.3573 5 A 3.8537 9.2432 130.9805 54.9994 19.7795 178.4220 6 E 3.7784 7.9586 114.5220 58.2632 30.4123 178.2911 7 Q 4.0036 7.5423 119.9834 59.5638 28.9418 178.9275 8 I 3.2805 7.4633 119.6419 63.7092 37.2327 176.2045 9 P 4.1009 0.0000 0.0000 65.7826 31.0499 178.4368 10 F 4.5161 7.9037 116.1365 60.7778 38.8798 177.6248 11 Q 3.9498 7.8608 117.3908 59.0109 28.4323 178.9485 12 L 4.0773 8.0625 120.0533 58.1565 41.6935 179.8766 13 I 3.6557 8.1426 119.9562 63.9825 37.0060 178.3527 14 L 3.9094 8.1503 121.3089 58.3394 41.9971 178.7846 15 N 4.4332 8.2653 116.3946 56.4126 38.4137 177.6825 16 S 4.2672 8.4313 116.7466 61.5310 62.9519 176.8770 17 G 3.6488 8.1829 108.3946 48.0703 0.0000 175.4754 18 N 4.0509 8.2946 118.9121 55.5453 38.4045 177.3959 19 A 4.2169 8.2375 122.3565 55.2096 18.3232 179.3874 20 R 3.8524 8.0262 116.1081 59.8377 30.1816 178.3406 21 S 4.2039 7.7672 113.1389 61.8265 63.0828 176.2882 22 F 4.7053 8.0814 120.2011 60.7268 38.7840 178.3815 23 A 4.3938 8.2173 117.1611 52.8910 17.8791 178.9673 *25 E 3.9983 8.1814 121.8200 57.8689 31.7878 178.2145 26 A 4.2760 8.4724 120.6381 55.2235 18.3865 179.4109 27 L 3.9063 7.8417 118.2663 58.3612 42.1617 179.0799 28 Q 3.8058 7.8964 117.3712 58.9557 28.6224 178.6799 29 F 4.2210 8.1460 118.6537 60.7873 39.0261 177.5235 30 A 3.9789 8.2894 120.3543 55.1950 17.8592 179.6099 31 K 2.9503 7.4574 117.1876 59.1515 32.3165 178.3555 32 Q 4.2504 7.6861 115.6670 56.0734 28.8639 176.9328 33 G 3.9409 7.7826 108.6330 45.2937 0.0000 173.6156 34 K 4.2548 8.0582 119.3406 55.0714 33.7438 177.3757 *36 A 4.2228 8.4820 124.9772 52.3857 20.6297 178.9180 37 E 3.5914 7.9122 114.5899 59.1767 29.0879 179.2432 38 A 4.1313 7.6881 119.7812 55.4881 18.5806 179.1351 39 D 4.4355 7.9653 115.5198 57.3648 41.2213 178.2284 40 E 4.0343 8.1361 119.7392 58.9053 29.5810 179.6477 41 A 3.9256 7.8616 119.9889 52.1928 18.3908 179.5274 *43 V 3.9124 7.7930 122.2502 64.4878 33.4814 177.6760 44 K 3.6437 7.7361 118.7421 59.0419 31.5021 179.2252 45 A 4.1741 8.2519 121.4550 55.0566 18.3072 179.3237 46 K 3.8009 8.0837 117.6326 59.8410 32.3210 178.3502 47 E 3.9204 8.3939 118.5547 59.5683 29.3214 179.3295 48 A 4.1399 8.3001 120.7596 55.3588 18.3971 179.7959 49 I 3.7666 8.3417 118.8162 64.2914 37.1203 178.0706 50 N 4.2593 8.4938 118.3253 56.6977 38.5409 176.4926 51 E 3.8131 7.8220 117.9910 59.5670 30.0425 179.1346 52 A 4.5133 7.8634 120.5926 55.5741 18.5530 178.9904 53 H 4.0962 9.0210 117.2918 59.8036 29.7294 176.8006 54 H 4.0705 8.2109 119.9574 59.2095 29.6225 177.2694 55 F 4.3041 7.6998 119.0952 60.6284 38.7256 177.4822 56 Q 4.0045 8.1197 118.7045 59.4537 28.8921 177.9593 57 T 3.8218 7.8538 116.8213 66.6742 68.4907 176.1039 58 E 3.8651 7.9402 120.8465 58.9932 29.5119 178.4893 59 L 3.9166 7.8909 120.3396 58.3665 42.1962 179.1375 60 I 3.7059 8.1060 120.0050 64.3599 37.0519 178.3222 61 Q 3.9528 8.3612 120.9329 59.2261 28.9734 178.3500 62 S 4.1636 8.6192 115.6872 61.3091 62.8841 176.1278 63 E 4.0269 8.0587 122.8246 59.1452 29.2010 178.6392 64 A 4.0172 7.8412 119.6429 55.1633 18.4945 179.4342 65 R 4.0755 7.8660 115.3231 57.4778 30.2608 177.7467 66 G 3.9584 7.9961 106.2796 45.0621 0.0000 174.1381 67 E 4.2589 7.7999 119.6963 54.8417 28.2070 176.1133 68 K 4.1413 8.3175 123.1757 56.4061 32.8995 176.9133 69 T 4.5350 8.1035 119.5275 61.2668 70.5304 173.9626 70 E 4.0004 8.6479 127.0576 56.1711 30.1083 176.0067 71 I 4.1722 8.2291 127.7537 60.6420 38.4124 175.7461 72 S 4.7666 8.1370 118.6811 55.6981 67.5230 175.2183 73 V 3.5980 8.2124 121.1495 65.8977 31.1743 177.9368 74 L 3.9018 7.7647 119.8256 57.8649 41.9633 178.2476 75 L 3.8348 7.8283 120.2287 58.3637 42.0453 178.6754 76 I 3.6733 7.6368 119.5028 65.0512 37.1634 177.8409 77 H 4.1736 8.4850 118.4709 59.0771 29.6483 177.1985 78 A 3.9926 8.4138 123.0973 55.3509 18.0323 179.6191 79 Q 4.0087 8.2397 115.7576 59.1217 28.7835 178.5523 80 D 4.4918 7.8455 119.1736 57.5850 41.0903 178.0831 81 H 4.2591 8.0267 116.5621 58.8309 28.6696 177.6993 82 L 4.6560 7.6030 118.9750 56.2069 41.6230 177.8645 *84 N 4.6029 8.0931 116.2662 53.2364 40.7008 176.5222 85 A 4.0948 8.2129 120.0419 55.1571 18.2666 179.7888 86 I 3.6876 8.1483 118.6294 64.7469 37.2055 178.7338 87 T 3.8700 7.8858 116.0631 66.6496 68.3929 176.5920 88 V 3.6300 8.2186 120.4421 65.8523 31.5620 177.8316 89 K 3.9331 8.3163 119.4727 59.6376 31.9669 178.2268 90 E 3.9705 8.4320 119.0704 59.7554 29.4825 179.3944 91 L 4.1408 8.1420 117.8615 56.8844 41.8618 179.1097 92 A 4.2645 8.7303 121.3588 55.1627 18.2507 179.3508 93 A 4.0599 8.1703 119.2962 55.5014 18.4370 179.7987 94 E 3.8995 7.8043 116.5241 59.4756 29.5487 179.4752 95 F 4.1310 8.2910 117.8659 60.6858 39.0176 177.7496 96 I 3.9921 8.4872 119.7927 64.6582 37.0316 178.1407 97 D 4.4447 8.4294 119.7870 57.4345 40.6427 178.9710 98 L 3.9546 7.9919 119.3925 58.0020 41.6077 179.1810 99 Y 4.1190 8.1562 116.6709 60.9802 37.5724 178.7035 100 K 4.0481 8.0780 118.5847 59.2106 32.5728 178.9115 101 K 4.0706 8.0024 119.6189 59.6017 32.1927 178.8210 102 L 4.0114 7.9970 119.0884 57.9488 41.3713 179.3985 103 E 4.0731 8.2809 116.8376 58.9142 29.3775 178.6087 104 A 4.4450 7.6406 119.3980 52.1232 19.2762 177.5665 105 K 4.3723 7.3154 115.8390 55.7426 35.4169 176.6522 106 G 4.0747 8.9301 111.7662 45.8638 0.0000 172.9094 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 3 T 8.17 4.26 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 1.21 0.00 0.00 4 T 7.37 3.81 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 1.24 0.00 0.00 5 A 9.24 3.85 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 6 E 7.96 3.78 0.00 1.99 1.12 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 2.22 2.11 0.00 7 Q 7.54 4.00 0.00 1.94 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.82 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 8 I 7.46 3.28 1.76 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 1.51 0.25 0.78 0.00 0.00 9 P 0.00 4.10 0.00 1.82 1.93 0.00 3.36 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 2.01 2.06 0.00 10 F 7.90 4.52 0.00 3.16 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 11 Q 7.86 3.95 0.00 1.35 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.13 0.00 12 L 8.06 4.08 0.00 1.88 1.74 0.93 1.08 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 13 I 8.14 3.66 1.92 0.00 0.00 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 1.35 0.85 0.69 0.00 0.00 14 L 8.15 3.91 0.00 1.75 1.68 0.90 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.27 4.43 0.00 3.03 3.18 0.00 0.00 7.12 6.87 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 16 S 8.43 4.27 0.00 3.94 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.18 3.65 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 0.00 0.00 0.00 18 N 8.29 4.05 0.00 2.73 2.60 0.00 0.00 6.95 7.11 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 19 A 8.24 4.22 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 20 R 8.03 3.85 0.00 1.94 2.14 0.00 3.30 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 21 S 7.77 4.20 0.00 3.71 3.71 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 22 F 8.08 4.71 0.00 3.29 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 23 A 8.22 4.39 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 *25 E 8.18 4.00 0.00 2.36 2.21 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 2.20 2.42 0.00 26 A 8.47 4.28 1.56 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 0.00 0.00 27 L 7.84 3.91 0.00 1.92 1.61 0.66 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 7.90 3.81 0.00 1.90 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.66 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 29 F 8.15 4.22 0.00 3.23 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 30 A 8.29 3.98 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 31 K 7.46 2.95 0.00 1.43 1.78 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.22 7.81 32 Q 7.69 4.25 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.58 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 33 G 7.78 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 0.00 0.00 0.00 34 K 8.06 4.25 0.00 2.07 1.86 0.00 1.80 0.00 0.00 1.91 0.00 0.00 3.13 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.43 7.81 *36 A 8.48 4.22 1.26 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 0.00 0.00 0.00 37 E 7.91 3.59 0.00 1.62 1.12 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 1.81 2.06 0.00 38 A 7.69 4.13 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 39 D 7.97 4.44 0.00 2.77 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 40 E 8.14 4.03 0.00 1.94 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 2.19 2.23 0.00 41 A 7.86 3.93 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *43 V 7.79 3.91 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 1.05 0.00 0.00 0.97 0.00 0.00 44 K 7.74 3.64 0.00 1.23 0.74 0.00 1.15 0.00 0.00 1.06 0.00 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.08 1.33 7.81 45 A 8.25 4.17 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 46 K 8.08 3.80 0.00 1.83 1.97 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.55 7.81 47 E 8.39 3.92 0.00 2.16 1.98 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 2.30 2.48 0.00 48 A 8.30 4.14 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.34 3.77 2.06 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.89 0.93 0.00 0.00 50 N 8.49 4.26 0.00 2.92 2.98 0.00 0.00 7.16 8.49 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 51 E 7.82 3.81 0.00 2.32 2.10 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 2.59 2.64 0.00 52 A 7.86 4.51 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 53 H 9.02 4.10 0.00 3.38 3.46 0.00 5.60 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 H 8.21 4.07 0.00 3.27 3.06 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 7.70 4.30 0.00 3.33 3.01 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 56 Q 8.12 4.00 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.88 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 57 T 7.85 3.82 4.16 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 1.18 0.00 0.00 58 E 7.94 3.87 0.00 1.96 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 2.33 2.38 0.00 59 L 7.89 3.92 0.00 2.10 1.75 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 60 I 8.11 3.71 1.86 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 1.62 0.84 0.91 0.00 0.00 61 Q 8.36 3.95 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 62 S 8.62 4.16 0.00 4.19 4.31 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 63 E 8.06 4.03 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 64 A 7.84 4.02 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 65 R 7.87 4.08 0.00 2.00 2.00 0.00 3.13 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 66 G 8.00 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 67 E 7.80 4.26 0.00 2.16 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 2.33 2.27 0.00 68 K 8.32 4.14 0.00 1.74 1.74 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.40 7.81 69 T 8.10 4.53 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 1.20 0.00 0.00 70 E 8.65 4.00 0.00 1.91 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 2.27 2.32 0.00 71 I 8.23 4.17 1.86 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 1.46 0.94 0.90 0.00 0.00 72 S 8.14 4.77 0.00 3.94 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 73 V 8.21 3.60 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 1.00 0.00 0.00 0.92 0.00 0.00 74 L 7.76 3.90 0.00 1.71 1.53 0.88 0.08 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 75 L 7.83 3.83 0.00 1.76 1.79 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 76 I 7.64 3.67 2.02 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 1.41 0.64 0.92 0.00 0.00 77 H 8.48 4.17 0.00 3.35 3.54 0.00 5.78 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 78 A 8.41 3.99 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 79 Q 8.24 4.01 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.89 0.00 0.00 0.00 0.00 0.00 2.52 2.54 0.00 80 D 7.85 4.49 0.00 2.81 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.03 4.26 0.00 3.38 3.34 0.00 5.63 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 L 7.60 4.66 0.00 1.84 1.84 1.02 0.68 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 *84 N 8.09 4.60 0.00 2.96 2.89 0.00 0.00 6.93 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 85 A 8.21 4.09 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 86 I 8.15 3.69 1.91 0.00 0.00 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 1.56 0.94 0.99 0.00 0.00 87 T 7.89 3.87 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 1.24 0.00 0.00 88 V 8.22 3.63 2.24 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 0.93 0.00 0.00 0.98 0.00 0.00 89 K 8.32 3.93 0.00 1.97 1.97 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.55 7.81 90 E 8.43 3.97 0.00 2.28 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 2.36 2.67 0.00 91 L 8.14 4.14 0.00 1.83 1.83 0.97 0.67 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 92 A 8.73 4.26 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.17 4.06 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 94 E 7.80 3.90 0.00 2.20 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 2.51 2.44 0.00 95 F 8.29 4.13 0.00 3.37 3.26 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 0.00 96 I 8.49 3.99 2.13 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.97 1.00 0.00 0.00 97 D 8.43 4.44 0.00 2.86 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 98 L 7.99 3.95 0.00 1.82 1.48 0.71 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 8.16 4.12 0.00 3.25 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 0.00 100 K 8.08 4.05 0.00 1.95 1.92 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.73 7.81 101 K 8.00 4.07 0.00 1.97 2.01 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.48 7.81 102 L 8.00 4.01 0.00 1.93 1.73 0.81 0.71 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 0.00 103 E 8.28 4.07 0.00 2.26 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 0.00 2.41 2.42 0.00 104 A 7.64 4.45 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 0.00 105 K 7.32 4.37 0.00 1.71 1.69 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.36 7.81 106 G 8.93 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.