NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2347 8.3144 121.7900 55.8816 33.4421 174.4467 2 E 4.0314 8.2599 120.2701 54.0748 30.3990 174.6509 3 T 4.1870 8.6181 117.5298 61.2968 72.4074 175.3410 4 A 4.3076 8.5170 123.4680 55.0108 18.5776 180.0073 5 A 4.1768 8.0028 119.0937 55.0020 18.6728 179.5300 6 A 4.2732 8.1405 120.7519 54.7035 18.5228 179.6466 7 K 4.1048 8.5763 119.9055 59.0494 32.2210 178.5779 8 F 4.1073 8.2461 120.5760 61.4159 38.9789 176.9688 9 E 4.0105 8.2963 117.6792 59.5288 29.0903 179.3291 10 R 3.8999 7.8921 117.4220 59.3045 30.2060 177.9499 11 Q 4.0976 7.8399 116.2151 57.3297 29.2921 175.9455 12 H 4.6503 7.7726 113.3752 53.6224 31.7669 172.7468 13 M 4.6096 8.0480 119.0942 53.9373 33.3678 175.7927 14 D 4.7897 8.9754 124.3607 52.5087 41.9393 175.7877 15 S 4.6572 8.5296 116.3388 58.3125 63.6082 175.5848 16 S 4.3188 7.9464 115.6551 59.9941 63.2454 174.5184 17 T 4.6578 7.6146 109.7278 59.5012 70.8722 174.2187 18 S 4.2701 8.4716 116.9722 60.3023 63.8470 173.8270 19 A 4.1381 7.0323 120.2376 50.9958 21.3131 175.4971 20 A 3.6968 8.2556 124.0771 51.8384 18.0315 177.9821 21 S 4.5672 8.4576 117.9307 58.7860 63.5901 174.2670 22 S 4.7696 7.5208 115.5675 56.0397 64.9532 174.9199 23 S 4.2724 8.7856 120.9753 60.7929 63.2339 174.5208 24 N 4.7821 8.2402 117.8427 53.3416 38.9281 175.9019 25 Y 3.9946 7.9241 120.9215 61.1398 38.7486 177.6310 26 C 4.1649 8.3336 116.9121 60.2023 38.6320 175.6877 27 N 4.3619 8.3236 117.4390 56.7106 38.0412 177.0615 28 Q 3.9750 8.1139 120.5883 59.2817 29.0762 177.9995 29 M 3.7591 7.8477 121.4350 57.7361 31.8637 178.5842 30 M 3.9578 8.1837 119.2781 58.0935 31.9499 178.8165 31 K 3.9264 7.6018 118.6295 59.6358 32.0281 179.2368 32 S 4.1118 8.2316 114.5691 60.9208 62.5571 175.4461 33 R 4.3710 7.8761 119.7532 54.9767 30.3579 175.7359 34 N 4.1943 8.0635 115.0596 54.6939 35.9991 174.7702 35 L 4.5488 8.1687 116.1406 55.0322 42.2951 178.0610 36 T 5.1407 7.5004 106.8644 60.2648 69.2998 175.4424 37 K 4.1952 8.3212 121.5035 60.0450 32.2672 177.9051 38 D 4.5333 7.8067 116.8574 55.5115 41.8915 176.9462 39 R 3.9857 7.1829 116.6684 54.8580 32.7625 174.2912 40 C 4.6625 8.8162 122.4249 56.4513 40.1320 173.5938 41 K 4.0987 8.2597 126.5722 56.2276 32.3840 174.8024 42 P 4.5532 0.0000 0.0000 65.1450 32.3154 176.4823 43 V 4.9401 7.5791 116.7903 61.2371 34.7696 174.1650 44 N 4.7351 8.9961 124.0850 52.7870 42.8700 172.8972 45 T 4.8013 8.0080 121.8086 61.6799 71.6212 172.8899 46 F 4.8450 8.7728 124.4737 55.8100 41.7580 174.7507 47 V 4.4577 9.0726 123.3930 61.0666 33.3056 175.8387 48 H 5.7909 8.4645 127.5076 54.0939 26.3052 173.4779 49 E 4.8016 7.6956 117.1868 53.2920 34.5879 176.6996 50 S 4.3575 8.3888 115.1234 58.2380 64.8595 175.0240 51 L 3.9732 8.5075 124.0347 58.4524 41.8689 179.0774 52 A 4.2586 7.9160 121.4048 54.9028 18.1348 179.2411 53 D 4.3387 8.0584 116.2436 57.3470 41.1618 178.8554 54 V 3.8246 7.8487 118.6343 65.9121 31.1166 178.1375 55 Q 3.9278 8.5373 118.1075 58.8083 28.5507 178.5163 56 A 4.0943 8.2404 121.4922 54.6309 18.4139 179.6665 57 V 3.4909 7.4791 116.7000 66.1264 31.3074 177.0855 58 C 3.9208 7.7851 114.5061 57.9369 39.9593 174.1724 59 S 4.7882 7.5726 115.1661 58.1377 63.9994 174.7431 60 Q 4.4689 7.0543 121.8006 55.9794 31.4843 179.0160 61 K 4.2080 8.4745 135.0000 56.6399 32.4703 174.5366 62 N 4.1045 8.6863 127.4128 53.7094 39.3739 174.2068 63 V 4.5683 8.4011 118.5597 59.2801 37.0435 174.1961 64 A 4.3651 8.3477 123.6944 51.6337 19.1097 178.6181 65 C 4.5130 9.7210 121.6345 56.2805 41.1385 175.1595 66 K 3.9117 7.8262 119.6958 59.5876 31.5324 178.7499 67 N 4.3566 8.0026 114.5369 54.1596 37.3460 175.8281 68 G 3.9271 8.4954 108.1043 45.2393 0.0000 173.3686 69 Q 4.3639 7.6439 118.9383 54.6487 30.1583 174.7930 70 T 5.0855 8.0406 111.2843 60.0210 69.7095 174.8742 *72 C 4.7960 8.3901 123.1472 56.9787 37.1974 172.3994 73 Y 5.0856 8.5948 117.5082 56.4698 41.9083 174.1198 74 Q 5.0059 9.1319 125.8979 54.3154 31.0968 175.0449 75 S 4.2810 8.4602 121.0735 58.7652 63.0952 174.2471 76 Y 4.4596 8.6996 120.2665 60.4312 38.0219 176.0647 77 S 4.8155 7.8366 112.0354 56.0793 65.7389 173.4189 78 T 4.2227 8.0622 110.8961 62.0069 69.5966 173.5928 79 M 5.0572 9.5151 122.8830 53.3473 36.5694 174.7985 80 S 4.8860 9.1728 117.0464 58.3950 63.7723 173.1035 81 I 5.0597 9.1105 119.8309 59.5965 41.7702 173.9989 82 T 4.9918 8.7218 119.6742 61.7051 71.3580 173.2349 83 A 4.4913 9.1159 129.8642 51.6831 20.2137 175.1895 84 C 5.5304 9.3499 120.4728 55.1625 39.5672 173.1833 85 R 5.2471 8.8676 123.2058 54.2263 33.2611 173.7929 86 E 4.0362 9.1669 128.5354 56.6356 30.2844 176.5197 87 T 4.2048 8.7199 117.6344 60.8875 70.0117 175.9940 88 G 3.9660 8.9407 112.7705 48.6423 0.0000 174.1818 89 S 4.5416 7.8756 112.1131 57.9628 63.2968 173.5352 90 S 4.2919 8.2280 116.8331 57.7708 62.6580 173.4978 91 K 4.4533 8.2693 127.7981 54.4447 34.4796 174.9617 92 Y 4.0905 8.8330 127.7515 57.7122 39.0073 174.1304 93 P 3.7066 0.0000 0.0000 63.1898 32.3784 176.6369 94 N 4.6367 7.5856 117.8670 52.5665 36.6522 174.9794 95 C 4.3971 7.9503 117.3034 56.6139 41.9264 173.1959 96 A 4.9954 8.9419 124.6159 50.3771 21.7138 174.5972 97 Y 5.0498 9.0282 119.6827 55.8420 41.7399 175.3711 98 K 4.2868 9.4043 125.5826 56.4844 33.7475 175.5515 99 T 4.7260 8.6070 124.2820 62.7088 69.8419 174.4252 100 T 4.4935 8.7153 124.2545 61.4953 70.9126 173.4292 101 Q 4.6157 8.6468 127.9305 56.1461 30.1592 174.5763 102 A 4.6898 9.3202 126.1558 51.1847 23.7653 174.4709 103 N 5.4571 8.6516 115.8194 51.7409 40.9422 174.5544 104 K 4.7785 8.8240 122.2141 54.7673 37.5127 175.2033 105 H 4.9333 8.8122 118.9791 55.6812 29.5296 175.3532 106 I 4.5368 8.5648 116.6127 59.7462 40.4226 174.7616 107 I 4.8224 8.3469 124.4927 59.8213 40.0777 174.8874 108 V 4.7685 8.2591 120.0079 59.1782 35.0392 175.1545 109 A 4.6196 8.6749 125.9149 51.8701 19.7361 175.9431 110 C 5.0855 8.2755 117.8945 55.3643 38.4128 172.8140 111 E 4.6907 8.3950 119.5622 56.6830 33.4802 175.7544 112 G 4.2645 9.3293 110.2255 44.9854 0.0000 171.6706 113 N 5.0703 8.1614 115.9312 50.6713 40.7514 172.1681 114 P 4.3686 0.0000 0.0000 62.7100 32.0782 175.9210 115 Y 4.9061 8.2442 121.2700 56.8084 38.4340 174.5826 116 V 4.4288 8.0722 119.0081 58.1461 36.3868 173.5602 117 P 4.3615 0.0000 0.0000 63.1108 31.1893 176.7889 118 V 4.4650 8.3588 114.6116 60.9205 34.1424 175.2065 119 H 5.0493 7.7467 120.6099 54.5625 33.4463 171.5992 120 F 4.5970 8.8675 128.3452 58.2888 39.5391 173.7763 121 D 4.6345 8.4483 126.6876 54.6573 41.9999 176.0997 122 A 4.1328 6.8721 125.0317 52.8426 19.0501 175.7959 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 4.23 0.00 1.74 1.83 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.44 7.81 2 E 8.26 4.03 0.00 2.14 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 2.40 2.38 0.00 3 T 8.62 4.19 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 1.23 0.00 0.00 4 A 8.52 4.31 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 5 A 8.00 4.18 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.14 4.27 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 7 K 8.58 4.10 0.00 1.82 1.89 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.49 1.33 7.81 8 F 8.25 4.11 0.00 3.29 3.24 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 9 E 8.30 4.01 0.00 2.31 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 2.46 2.65 0.00 10 R 7.89 3.90 0.00 1.83 2.09 0.00 3.37 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 11 Q 7.84 4.10 0.00 1.68 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.48 0.00 0.00 0.00 0.00 0.00 2.23 2.50 0.00 12 H 7.77 4.65 0.00 2.08 2.66 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 13 M 8.05 4.61 0.00 1.98 2.21 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.67 0.00 14 D 8.98 4.79 0.00 2.70 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.53 4.66 0.00 3.93 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 16 S 7.95 4.32 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 17 T 7.61 4.66 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 1.27 0.00 0.00 18 S 8.47 4.27 0.00 3.97 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 19 A 7.03 4.14 1.15 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 0.00 0.00 20 A 8.26 3.70 0.40 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 21 S 8.46 4.57 0.00 3.84 3.87 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 22 S 7.52 4.77 0.00 3.83 3.73 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 23 S 8.79 4.27 0.00 4.05 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 24 N 8.24 4.78 0.00 2.81 2.88 0.00 0.00 6.43 6.90 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 25 Y 7.92 3.99 0.00 2.96 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 26 C 8.33 4.16 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 27 N 8.32 4.36 0.00 2.93 2.93 0.00 0.00 6.71 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 28 Q 8.11 3.97 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.83 0.00 0.00 0.00 0.00 0.00 2.18 2.30 0.00 29 M 7.85 3.76 0.00 1.04 1.37 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.35 0.00 30 M 8.18 3.96 0.00 1.64 1.81 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.28 0.00 31 K 7.60 3.93 0.00 2.01 1.75 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.45 7.81 32 S 8.23 4.11 0.00 4.00 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 33 R 7.88 4.37 0.00 1.94 2.12 0.00 3.64 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.85 0.00 34 N 8.06 4.19 0.00 2.87 2.91 0.00 0.00 6.84 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 35 L 8.17 4.55 0.00 1.77 1.64 0.85 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.50 5.14 4.42 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 37 K 8.32 4.20 0.00 1.81 1.95 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.48 1.43 7.81 38 D 7.81 4.53 0.00 2.56 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.18 3.99 0.00 1.60 1.62 0.00 3.11 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.47 0.00 40 C 8.82 4.66 0.00 3.09 3.08 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 0.00 0.00 0.00 0.00 41 K 8.26 4.10 0.00 1.86 1.79 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.44 7.81 42 P 0.00 4.55 0.00 2.15 2.10 0.00 3.62 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 2.13 2.10 0.00 43 V 7.58 4.94 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 0.81 0.00 0.00 0.97 0.00 0.00 44 N 9.00 4.74 0.00 2.65 2.26 0.00 0.00 6.86 6.84 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 45 T 8.01 4.80 3.04 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 0.90 0.00 0.00 46 F 8.77 4.85 0.00 3.04 2.85 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 47 V 9.07 4.46 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 1.03 0.00 0.00 1.00 0.00 0.00 48 H 8.46 5.79 0.00 3.05 3.42 0.00 5.61 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.70 4.80 0.00 1.94 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 2.25 2.27 0.00 50 S 8.39 4.36 0.00 4.07 4.02 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 51 L 8.51 3.97 0.00 1.82 1.74 1.05 1.22 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 52 A 7.92 4.26 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 53 D 8.06 4.34 0.00 2.84 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 54 V 7.85 3.82 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 1.24 0.00 0.00 1.08 0.00 0.00 55 Q 8.54 3.93 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.55 0.00 56 A 8.24 4.09 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 57 V 7.48 3.49 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 1.01 0.00 0.00 0.99 0.00 0.00 58 C 7.79 3.92 0.00 2.89 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 59 S 7.57 4.79 0.00 3.96 3.87 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 60 Q 7.05 4.47 0.00 1.75 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.08 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 61 K 8.47 4.21 0.00 1.85 1.81 0.00 1.59 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.41 7.81 62 N 8.69 4.10 0.00 2.65 2.61 0.00 0.00 6.99 7.71 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 63 V 8.40 4.57 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 0.71 0.00 0.00 0.86 0.00 0.00 64 A 8.35 4.37 1.18 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 0.00 0.00 65 C 9.72 4.51 0.00 2.92 3.11 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 66 K 7.83 3.91 0.00 1.76 1.87 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.69 7.81 67 N 8.00 4.36 0.00 2.81 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 68 G 8.50 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 69 Q 7.64 4.36 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.92 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 70 T 8.04 5.09 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 1.14 0.00 0.00 *72 C 8.39 4.80 0.00 2.98 2.99 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 73 Y 8.59 5.09 0.00 2.83 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 74 Q 9.13 5.01 0.00 2.02 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.97 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 75 S 8.46 4.28 0.00 4.04 3.87 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 76 Y 8.70 4.46 0.00 3.10 2.95 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 77 S 7.84 4.82 0.00 3.99 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 78 T 8.06 4.22 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 0.99 0.00 0.00 79 M 9.52 5.06 0.00 1.87 2.00 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 80 S 9.17 4.89 0.00 3.93 3.78 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 81 I 9.11 5.06 1.91 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 1.28 0.94 1.03 0.00 0.00 82 T 8.72 4.99 4.32 0.00 0.00 0.00 0.00 0.00 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 83 A 9.12 4.49 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 84 C 9.35 5.53 0.00 2.94 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 85 R 8.87 5.25 0.00 1.94 1.78 0.00 3.14 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 86 E 9.17 4.04 0.00 2.10 1.73 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 1.98 1.56 0.00 87 T 8.72 4.20 4.22 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 1.21 0.00 0.00 88 G 8.94 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 0.00 0.00 0.00 89 S 7.88 4.54 0.00 3.97 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 90 S 8.23 4.29 0.00 3.78 3.77 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 91 K 8.27 4.45 0.00 1.68 1.61 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.43 7.81 92 Y 8.83 4.09 0.00 2.96 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 93 P 0.00 3.71 0.00 1.80 1.10 0.00 3.64 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 94 N 7.59 4.64 0.00 2.69 2.79 0.00 0.00 7.00 7.66 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 95 C 7.95 4.40 0.00 3.11 2.98 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 96 A 8.94 5.00 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 0.00 0.00 0.00 0.00 0.00 97 Y 9.03 5.05 0.00 3.02 2.88 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 98 K 9.40 4.29 0.00 1.83 1.74 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.47 7.81 99 T 8.61 4.73 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 1.32 0.00 0.00 100 T 8.72 4.49 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 1.23 0.00 0.00 101 Q 8.65 4.62 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.74 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 102 A 9.32 4.69 1.21 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 0.00 0.00 103 N 8.65 5.46 0.00 2.56 2.72 0.00 0.00 6.64 7.61 0.00 0.00 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 K 8.82 4.78 0.00 1.77 1.70 0.00 1.58 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.48 7.81 105 H 8.81 4.93 0.00 3.02 3.25 0.00 5.88 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 0.00 106 I 8.56 4.54 1.91 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.79 1.14 0.00 0.00 107 I 8.35 4.82 1.69 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 1.15 0.60 0.80 0.00 0.00 108 V 8.26 4.77 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 0.82 0.00 0.00 0.83 0.00 0.00 109 A 8.67 4.62 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 0.00 110 C 8.28 5.09 0.00 2.14 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.39 4.69 0.00 2.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 112 G 9.33 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 0.00 0.00 0.00 0.00 113 N 8.16 5.07 0.00 2.66 2.70 0.00 0.00 6.94 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 0.00 114 P 0.00 4.37 0.00 2.23 2.05 0.00 3.82 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 115 Y 8.24 4.91 0.00 2.83 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 0.00 116 V 8.07 4.43 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 0.74 0.00 0.00 0.88 0.00 0.00 117 P 0.00 4.36 0.00 0.49 1.24 0.00 3.36 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.83 0.00 118 V 8.36 4.47 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 0.61 0.00 0.00 0.97 0.00 0.00 119 H 7.75 5.05 0.00 3.17 3.09 0.00 5.66 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.87 4.60 0.00 2.64 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 0.00 121 D 8.45 4.63 0.00 2.57 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 0.00 122 A 6.87 4.13 1.18 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.