NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 38 K 4.1848 8.3144 121.7600 56.3152 34.0590 176.2642 39 S 4.1447 7.8052 112.0158 58.3959 62.9978 171.5361 40 C 5.2743 9.6542 123.7954 59.7592 31.1463 172.4911 41 T 5.2311 8.4739 116.0417 61.7840 71.4431 173.1507 42 L 5.1806 8.7675 124.6760 53.0403 45.7139 175.5031 43 Y 4.2621 8.9991 120.8514 57.6656 39.5587 174.6570 44 V 4.7662 8.7981 123.3131 61.0839 34.6338 174.6252 45 G 3.6256 9.1641 114.5483 44.5645 0.0000 172.3244 46 N 4.2836 7.9612 114.9573 53.8854 36.8919 174.1626 47 L 4.1029 7.4659 116.6456 53.7329 42.5758 177.1848 48 S 4.2110 8.1196 116.1955 57.8091 63.6827 175.0279 49 F 4.2674 8.8778 124.1127 61.2447 39.2096 175.4953 50 Y 4.1719 7.1931 115.7420 56.9880 38.4441 175.8825 51 T 4.0276 7.2236 118.9046 64.1142 69.1113 174.3338 52 T 4.5671 8.7475 116.6844 59.7352 72.6246 175.2845 53 E 3.9764 8.5764 121.2725 59.4420 29.5782 178.6643 54 E 4.0841 8.1832 118.2004 59.6491 29.6185 179.1961 55 Q 4.0899 7.9371 118.1713 58.9553 28.6425 178.9183 56 I 3.8868 7.9389 120.9691 64.4701 37.1102 177.8741 57 Y 3.9207 8.5551 118.0416 61.0892 37.5348 178.5253 58 E 3.9754 8.2047 118.5273 59.2019 30.2233 178.3368 59 L 4.0601 8.1206 120.2467 58.4127 42.2478 178.9702 60 F 4.1731 8.7522 117.3917 59.8833 38.7767 177.5086 61 S 5.0860 8.1906 115.9380 59.9998 62.4066 176.0748 62 K 4.2303 8.0115 120.7609 58.0037 31.7698 178.0093 63 S 4.8164 9.3384 113.1834 57.1054 63.9807 174.0259 64 G 4.3194 6.8607 110.2677 44.6403 0.0000 171.2182 65 D 4.9515 8.4269 119.9115 54.1578 41.3041 175.6042 66 I 4.2611 8.3870 125.3314 60.2826 37.6913 175.7663 67 K 3.6618 8.4462 129.5779 58.1865 32.5533 176.9492 68 K 4.6294 7.3595 119.0338 55.0763 35.7789 174.2782 69 I 4.8223 8.1907 125.8602 59.4361 40.5723 174.7746 70 I 4.5093 8.5227 126.8829 59.6822 39.9878 174.7282 71 M 4.4020 8.7430 127.4317 56.2392 32.9218 176.7957 72 G 3.9146 9.0092 109.1607 45.1039 0.0000 173.1202 73 L 4.6516 8.3099 116.5336 54.4709 41.8871 176.2109 74 D 4.6719 7.8954 119.3122 52.4901 40.8738 175.5763 75 K 3.8312 8.3453 126.3737 57.1075 31.9823 176.8277 76 M 4.4790 7.8723 115.4519 55.9290 33.6229 176.1951 *81 C 4.4574 8.0398 112.3763 56.8988 31.6910 174.5179 82 G 3.8180 8.3401 108.5253 46.7463 0.0000 172.6022 83 F 5.9212 7.9624 117.0479 54.9600 43.0814 173.6289 84 C 5.2209 8.2272 113.9850 57.7145 33.2460 172.1240 85 F 5.0062 9.4264 118.0689 55.5281 41.7352 175.0408 86 V 4.3403 8.5444 122.7974 61.0193 33.9576 173.5394 87 E 4.9290 9.0977 129.8727 54.7836 31.4656 174.5816 88 Y 4.8542 8.8516 124.7022 56.6542 39.9472 175.6392 89 Y 4.3690 8.6325 118.2565 60.1902 38.7182 176.4272 90 S 4.9868 8.1638 112.4456 55.8495 66.0480 174.8440 91 R 4.0285 8.7423 122.0225 59.6796 29.8874 178.6126 92 A 4.1923 8.1171 120.0991 55.5415 17.8229 179.2312 93 D 4.3807 8.1457 117.7603 56.6818 40.8472 178.8602 94 A 3.4722 7.4874 120.4694 54.9017 18.4136 179.5195 95 E 4.1197 8.5882 117.3403 59.7984 29.5353 179.4129 96 N 4.2607 8.2412 116.2192 55.8889 38.4626 177.4256 97 A 3.9274 7.7564 122.5366 55.4102 18.2684 179.5771 98 M 3.8559 7.5977 116.1210 58.4472 31.9880 178.9011 99 R 3.7964 7.4438 117.4639 58.2334 30.2550 177.0334 100 Y 4.8691 7.6941 112.9634 57.6198 40.6317 176.6469 101 I 3.9230 8.0133 120.8400 62.8670 38.0396 175.7714 102 N 4.2379 7.9309 116.9089 55.4802 38.8356 174.5619 103 G 3.8727 8.9011 112.8633 45.8349 0.0000 172.5722 104 T 4.6374 7.5838 110.2045 59.5799 71.4988 172.9041 105 R 5.4545 8.0747 118.7787 54.1938 32.0568 176.1280 106 L 4.4091 7.8405 121.8837 54.6854 44.7481 175.4264 107 D 4.3727 9.4246 126.2112 55.5690 39.4707 172.9035 108 D 4.3818 8.3050 112.1995 54.5798 40.3343 172.2421 109 R 4.6222 7.5186 116.5129 54.3993 32.5841 175.6268 110 I 4.4643 8.3138 124.6449 61.1775 37.5762 175.8363 111 I 4.3898 8.6171 121.7805 60.1823 39.8950 174.9593 112 R 5.2908 8.7183 121.6049 54.6399 33.4911 174.8343 113 T 5.2200 8.8878 113.0091 60.4083 71.9268 172.5219 114 D 4.5541 8.4679 120.1199 52.7804 45.2978 174.5645 115 W 4.6683 8.7908 123.2615 57.2841 29.9152 175.9589 116 D 5.0929 9.2597 124.8272 52.9162 39.9751 175.4910 117 A 4.7650 8.1353 131.9492 51.9458 21.0436 176.3479 118 G 4.1805 8.8856 103.5212 46.6583 0.0000 173.3677 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 38 K 8.31 4.18 0.00 1.66 1.85 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.36 7.81 39 S 7.81 4.14 0.00 4.02 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 40 C 9.65 5.27 0.00 2.99 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 41 T 8.47 5.23 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 1.24 0.00 0.00 42 L 8.77 5.18 0.00 1.43 1.39 0.92 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 9.00 4.26 0.00 3.03 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 44 V 8.80 4.77 1.88 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 0.96 0.00 0.00 0.45 0.00 0.00 45 G 9.16 3.63 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 0.00 0.00 0.00 46 N 7.96 4.28 0.00 2.70 2.92 0.00 0.00 7.02 7.78 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 47 L 7.47 4.10 0.00 1.71 1.46 0.83 0.61 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 48 S 8.12 4.21 0.00 3.37 3.62 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 0.00 0.00 0.00 0.00 49 F 8.88 4.27 0.00 3.05 3.40 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 50 Y 7.19 4.17 0.00 3.02 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 51 T 7.22 4.03 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 52 T 8.75 4.57 4.43 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 0.00 0.00 0.00 1.27 0.00 0.00 53 E 8.58 3.98 0.00 2.09 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 2.69 2.55 0.00 54 E 8.18 4.08 0.00 2.13 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 2.40 2.46 0.00 55 Q 7.94 4.09 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 56 I 7.94 3.89 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.92 0.62 0.00 0.00 57 Y 8.56 3.92 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 58 E 8.20 3.98 0.00 2.02 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 0.00 2.36 2.40 0.00 59 L 8.12 4.06 0.00 1.80 1.73 0.79 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.75 4.17 0.00 3.23 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 61 S 8.19 5.09 0.00 4.06 4.04 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 0.00 62 K 8.01 4.23 0.00 1.91 1.87 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.46 7.81 63 S 9.34 4.82 0.00 3.98 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 64 G 6.86 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 0.00 0.00 0.00 0.00 65 D 8.43 4.95 0.00 3.03 2.84 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 66 I 8.39 4.26 1.85 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.60 0.42 0.00 0.00 67 K 8.45 3.66 0.00 0.79 1.34 0.00 1.25 0.00 0.00 1.41 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.18 0.86 7.81 68 K 7.36 4.63 0.00 1.71 1.41 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.74 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.31 1.43 7.81 69 I 8.19 4.82 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 0.83 0.03 0.74 0.00 0.00 70 I 8.52 4.51 1.91 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.61 0.95 0.00 0.00 71 M 8.74 4.40 0.00 1.91 2.01 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.49 0.00 72 G 9.01 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 73 L 8.31 4.65 0.00 1.69 1.76 0.61 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 74 D 7.90 4.67 0.00 2.63 2.62 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 0.00 0.00 0.00 0.00 75 K 8.35 3.83 0.00 1.24 1.45 0.00 1.15 0.00 0.00 1.34 0.00 0.00 2.64 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.79 0.21 7.81 76 M 7.87 4.48 0.00 1.99 2.10 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 2.42 2.36 0.00 *81 C 8.04 4.46 0.00 3.30 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 82 G 8.34 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 0.00 0.00 0.00 83 F 7.96 5.92 0.00 2.89 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 84 C 8.23 5.22 0.00 3.07 2.93 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 85 F 9.43 5.01 0.00 2.77 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 86 V 8.54 4.34 1.66 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 0.38 0.00 0.00 0.02 0.00 0.00 87 E 9.10 4.93 0.00 1.90 1.67 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 2.06 2.20 0.00 88 Y 8.85 4.85 0.00 2.96 2.93 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 89 Y 8.63 4.37 0.00 3.08 3.07 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 90 S 8.16 4.99 0.00 4.04 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 91 R 8.74 4.03 0.00 1.99 2.01 0.00 3.36 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 92 A 8.12 4.19 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 93 D 8.15 4.38 0.00 2.71 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.49 3.47 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 95 E 8.59 4.12 0.00 2.25 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 2.78 2.94 0.00 96 N 8.24 4.26 0.00 2.74 3.01 0.00 0.00 6.92 7.05 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 97 A 7.76 3.93 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 98 M 7.60 3.86 0.00 1.85 2.14 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 2.12 0.00 99 R 7.44 3.80 0.00 0.79 0.66 0.00 3.05 0.00 0.00 2.96 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.58 0.00 100 Y 7.69 4.87 0.00 2.90 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 0.00 101 I 8.01 3.92 1.65 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.71 -0.15 0.00 0.00 102 N 7.93 4.24 0.00 2.59 2.84 0.00 0.00 7.01 7.98 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 0.00 103 G 8.90 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 0.00 0.00 0.00 104 T 7.58 4.64 4.20 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 0.00 0.00 1.27 0.00 0.00 105 R 8.07 5.45 0.00 1.79 1.85 0.00 3.22 0.00 0.00 3.94 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 106 L 7.84 4.41 0.00 1.65 1.43 0.92 1.17 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 0.00 107 D 9.42 4.37 0.00 2.64 2.47 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 0.00 108 D 8.31 4.38 0.00 2.82 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 0.00 109 R 7.52 4.62 0.00 1.86 1.74 0.00 3.10 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 110 I 8.31 4.46 1.84 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 1.38 0.44 0.90 0.00 0.00 111 I 8.62 4.39 1.97 0.00 0.00 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 1.42 0.86 0.92 0.00 0.00 112 R 8.72 5.29 0.00 1.72 1.79 0.00 2.98 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.47 0.00 113 T 8.89 5.22 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 1.39 0.00 0.00 114 D 8.47 4.55 0.00 2.83 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 0.00 115 W 8.79 4.67 0.00 3.31 3.20 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 0.00 0.00 0.00 116 D 9.26 5.09 0.00 2.35 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 0.00 117 A 8.14 4.77 1.25 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 0.00 118 G 8.89 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.