NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 R 4.3130 8.2544 119.7133 55.6306 32.1754 175.0370 18 D 4.7014 8.0502 115.6386 51.8020 43.4098 174.0777 19 L 4.6055 8.3303 125.6328 54.7206 43.5042 177.7719 20 S 4.2072 8.0714 115.5363 60.9110 62.9918 175.8071 21 Y 4.2570 8.0865 121.3471 59.9016 37.8638 177.9647 22 L 3.7874 7.2709 121.0245 57.3099 41.3846 178.8984 23 L 4.2171 7.5417 117.0639 56.3563 41.7615 177.8566 24 K 4.3073 7.5745 116.5314 56.8659 32.7630 177.3340 25 I 3.8136 7.0208 119.0715 61.4047 37.6140 176.0966 26 K 4.0521 8.7636 126.2471 59.2912 32.6663 177.2486 27 E 4.5587 7.7959 118.3209 54.6018 32.0917 176.7707 28 L 3.9360 8.3738 124.4620 58.2374 42.2883 179.4413 29 K 3.9011 8.0120 117.7927 59.7487 32.1306 178.8405 30 E 3.9961 8.1769 118.5977 59.0647 29.6332 178.4571 31 A 4.0568 8.1760 121.1009 55.0035 18.3242 179.8118 32 K 4.0443 8.4402 117.3993 59.3871 32.0563 179.7054 33 K 3.9829 8.1645 118.8056 59.6833 32.0972 179.2388 34 E 4.0241 8.3560 118.7457 59.2824 29.2598 179.2624 35 F 4.1092 8.3805 120.7783 61.1329 39.4136 176.6183 36 E 3.7800 8.5872 119.3632 59.1617 29.3336 178.5825 37 K 3.8553 8.1830 119.5656 59.8126 32.3425 178.6050 38 I 3.6872 7.5616 118.2054 63.7118 37.8443 177.6845 39 F 3.8025 8.0978 122.0282 61.2573 39.1332 177.2912 40 I 3.7707 8.1611 119.8527 64.3836 36.9513 178.2354 41 E 3.9357 8.3621 119.6359 59.3926 29.2196 179.1147 42 E 3.8049 7.9571 119.2079 59.0445 29.6979 179.0269 43 K 3.5993 7.6649 118.5789 59.1721 32.0006 179.1987 44 L 3.8620 7.9385 119.4361 57.7573 41.4969 179.6611 45 R 3.3576 7.3145 117.4568 59.1851 29.8795 179.0144 46 E 3.9040 7.3992 114.7819 58.3910 29.8875 177.5181 47 Y 4.7188 7.3544 116.9505 56.8142 38.3205 175.2193 48 D 4.4838 8.2589 117.9278 56.1131 38.8674 173.6041 49 Y 3.4906 7.9806 112.1448 58.9520 36.3370 171.2277 50 D 4.6129 7.8882 119.9981 53.5109 41.1596 176.4337 51 L 4.0350 8.4165 128.5142 57.5177 41.8312 179.3017 52 K 3.9124 8.0510 119.2066 59.4792 32.2448 178.7710 53 R 3.9421 8.2195 119.0431 59.6400 29.9947 178.6108 54 T 3.6520 8.2078 115.6818 66.3452 68.4693 176.2865 55 A 3.9912 8.1048 122.7456 55.4068 18.2933 179.5710 56 E 3.8890 7.8949 116.3020 59.6549 29.3208 179.5150 57 E 3.9174 7.9168 117.6528 58.7472 29.5275 178.4875 58 I 4.4247 7.5445 110.1204 60.0417 38.1936 175.6215 59 G 3.8770 7.8573 108.3452 46.9883 0.0000 173.7000 60 I 4.7023 7.6427 110.8690 57.5303 40.9845 174.9758 61 D 4.4909 8.3672 120.0780 53.7562 43.0038 176.5764 62 L 3.9750 8.5746 127.7618 58.5923 42.2085 179.5905 63 S 4.2742 8.1338 113.4274 61.5862 62.7745 176.1487 64 N 4.3649 8.0261 119.5538 56.0099 38.3702 176.9138 65 L 4.0037 8.2062 122.1066 58.3966 42.2046 178.4410 66 Y 4.1380 8.5589 119.9551 60.6639 38.6737 177.7471 67 R 3.8209 7.9948 119.2482 59.3147 30.0259 178.7581 68 K 3.9532 7.9386 117.8797 59.3432 32.1215 179.1471 69 I 3.6597 7.8373 120.2464 64.4878 37.0372 178.6619 70 K 3.7978 7.6924 118.8514 59.6098 31.7369 179.6413 71 S 4.1350 7.9398 114.0947 61.0735 62.8262 175.8713 72 L 4.3862 7.9995 118.8085 53.4546 42.1754 175.9744 73 N 4.1873 7.8453 115.3904 54.2091 36.5223 174.6783 74 I 4.0349 8.0843 118.4591 60.9749 38.1036 176.6726 75 R 4.1425 8.3894 123.7953 55.8354 30.6894 176.7478 76 V 4.2893 7.9486 120.8957 60.4083 32.5884 175.0760 77 K 3.7808 7.3213 126.0274 56.3018 32.4787 176.6984 78 S 4.6628 8.0624 115.7775 56.6139 64.6328 174.4541 79 S 4.3161 8.7082 118.5592 59.1171 62.5174 174.1771 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 17 R 8.25 4.31 0.00 1.95 2.09 0.00 3.21 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 18 D 8.05 4.70 0.00 2.69 2.59 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 19 L 8.33 4.61 0.00 1.73 1.63 1.04 0.96 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 20 S 8.07 4.21 0.00 4.07 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 0.00 21 Y 8.09 4.26 0.00 3.28 3.28 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 22 L 7.27 3.79 0.00 1.56 1.61 0.93 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.54 4.22 0.00 1.73 1.70 0.89 0.76 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 24 K 7.57 4.31 0.00 1.84 1.89 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.62 1.59 7.81 25 I 7.02 3.81 1.99 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.69 0.94 0.00 0.00 26 K 8.76 4.05 0.00 1.72 1.84 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.46 7.81 27 E 7.80 4.56 0.00 2.05 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 2.34 2.35 0.00 28 L 8.37 3.94 0.00 1.74 1.65 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.01 3.90 0.00 1.84 1.86 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.51 7.81 30 E 8.18 4.00 0.00 2.09 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 2.40 2.46 0.00 31 A 8.18 4.06 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 32 K 8.44 4.04 0.00 1.98 1.90 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.55 7.81 33 K 8.16 3.98 0.00 1.99 1.89 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.16 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.66 7.81 34 E 8.36 4.02 0.00 2.07 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 2.53 2.57 0.00 35 F 8.38 4.11 0.00 3.14 3.19 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 36 E 8.59 3.78 0.00 2.26 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 0.00 2.33 2.34 0.00 37 K 8.18 3.86 0.00 1.95 2.00 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.47 7.81 38 I 7.56 3.69 2.05 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.09 0.88 0.00 0.00 39 F 8.10 3.80 0.00 2.30 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 40 I 8.16 3.77 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.74 0.95 0.00 0.00 41 E 8.36 3.94 0.00 2.17 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 0.00 2.37 2.46 0.00 42 E 7.96 3.80 0.00 1.95 1.79 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 2.12 2.35 0.00 43 K 7.66 3.60 0.00 1.83 1.91 0.00 1.70 0.00 0.00 1.26 0.00 0.00 2.13 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.81 1.20 7.81 44 L 7.94 3.86 0.00 1.67 1.34 1.02 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.31 3.36 0.00 1.85 1.81 0.00 3.11 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 46 E 7.40 3.90 0.00 1.74 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 1.63 1.47 0.00 47 Y 7.35 4.72 0.00 2.99 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 48 D 8.26 4.48 0.00 2.89 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 49 Y 7.98 3.49 0.00 3.14 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 7.89 4.61 0.00 2.80 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 51 L 8.42 4.04 0.00 1.81 1.75 1.08 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.05 3.91 0.00 1.85 1.93 0.00 1.59 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.53 7.81 53 R 8.22 3.94 0.00 1.86 1.98 0.00 3.08 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.29 0.00 54 T 8.21 3.65 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 1.31 0.00 0.00 55 A 8.10 3.99 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 56 E 7.89 3.89 0.00 2.06 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 2.30 2.46 0.00 57 E 7.92 3.92 0.00 1.57 1.83 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 2.08 1.47 0.00 58 I 7.54 4.42 2.15 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.67 1.14 0.00 0.00 59 G 7.86 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 60 I 7.64 4.70 1.90 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 1.23 0.81 0.94 0.00 0.00 61 D 8.37 4.49 0.00 2.82 2.59 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 62 L 8.57 3.98 0.00 1.80 1.67 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.13 4.27 0.00 4.13 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 0.00 64 N 8.03 4.36 0.00 3.00 2.93 0.00 0.00 6.79 6.74 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 65 L 8.21 4.00 0.00 1.79 1.91 0.99 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.56 4.14 0.00 3.07 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 67 R 7.99 3.82 0.00 1.96 2.09 0.00 3.15 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 68 K 7.94 3.95 0.00 2.01 1.84 0.00 1.77 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.60 7.81 69 I 7.84 3.66 1.89 0.00 0.00 1.00 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 0.74 0.88 0.00 0.00 70 K 7.69 3.80 0.00 1.52 1.69 0.00 1.37 0.00 0.00 1.53 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.24 0.78 7.81 71 S 7.94 4.13 0.00 3.87 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 72 L 8.00 4.39 0.00 1.65 1.70 0.93 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 73 N 7.85 4.19 0.00 2.89 2.89 0.00 0.00 6.96 7.48 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 74 I 8.08 4.03 1.98 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 1.31 0.47 0.97 0.00 0.00 75 R 8.39 4.14 0.00 1.82 1.83 0.00 3.16 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 76 V 7.95 4.29 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 0.99 0.00 0.00 1.10 0.00 0.00 77 K 7.32 3.78 0.00 0.79 1.38 0.00 1.54 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.12 0.65 7.81 78 S 8.06 4.66 0.00 3.95 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 79 S 8.71 4.32 0.00 3.90 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