NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.1550 8.3101 121.7893 55.9751 34.0766 175.3400 20 A 4.3610 7.2107 116.7265 51.3128 20.1289 172.4147 21 K 4.1760 7.9103 120.0500 55.8882 32.7741 176.9281 22 V 3.7976 8.2963 124.2718 63.7934 31.7454 178.0078 23 K 4.0018 8.0314 119.8803 60.2030 32.1231 177.8705 24 A 4.2366 7.9379 120.2956 54.4450 18.3057 178.6327 25 T 4.1266 7.4740 111.7153 64.7021 68.4405 173.6419 26 L 4.7731 7.4408 120.7342 52.9681 46.7441 177.3458 27 G 4.1533 8.2090 113.3526 45.9297 0.0000 175.5607 28 E 4.3704 8.8620 127.7679 55.2062 29.5413 175.7427 29 F 4.8249 8.0670 118.5703 54.7683 41.0574 174.1871 30 D 4.4364 8.7000 124.3277 53.3754 40.4457 176.2554 31 L 4.9188 7.9737 131.8223 56.1250 40.5940 177.6775 32 R 4.5076 7.6513 116.8417 57.0938 32.2492 174.5493 33 D 4.3962 8.0479 117.9241 54.2619 41.4463 175.2283 34 Y 4.8603 7.7136 124.3866 56.9852 38.5901 176.5085 35 R 4.4460 8.1324 121.0229 57.9447 33.2930 176.7482 36 N 4.7219 7.6673 115.6557 52.4302 35.0529 175.4771 37 V 3.6143 7.9128 117.9024 65.7207 31.9923 178.1218 38 E 3.5566 8.0579 115.6894 59.5257 29.5539 178.3365 39 V 3.5785 8.1824 119.8177 64.1773 31.4026 177.8125 40 L 4.1993 7.9070 117.2913 58.4195 41.7612 179.7573 41 K 4.0072 8.6481 119.7566 59.5451 32.2783 176.8846 42 R 4.1629 7.4478 116.6662 56.4813 29.3331 176.1873 43 F 5.1129 8.5104 115.8501 56.6896 39.7188 177.0425 44 L 5.1977 8.2048 116.4295 54.9091 43.5488 177.1820 45 S 3.5636 7.9876 113.9685 59.9068 63.3900 171.5452 46 E 4.5369 8.7406 118.7019 56.9363 30.1284 176.1142 47 T 4.6950 7.6740 108.3344 60.2225 69.9680 175.8465 48 G 4.0252 8.0545 110.6205 45.0631 0.0000 174.1042 49 K 4.1976 7.6958 119.8315 55.8955 32.8043 176.2899 50 I 4.2815 8.2311 124.0247 61.7145 37.5726 175.6738 51 L 4.6294 8.1366 126.1825 53.1388 42.9965 174.9785 52 P 4.4957 0.0000 0.0000 62.5958 32.5832 177.4946 53 R 4.2434 8.7389 117.9873 59.0210 30.0960 179.7418 54 R 3.7597 7.8324 115.6576 58.8104 30.7199 177.0857 55 R 4.5070 7.8485 114.0201 57.7800 33.4215 177.5460 56 T 3.9848 8.9529 108.4995 62.6838 69.4467 173.5407 57 G 4.1864 8.5634 110.6350 46.0565 0.0000 171.4790 58 L 4.9065 7.3498 119.4261 52.4721 45.8625 176.7981 59 S 4.3253 9.8237 115.2159 58.1216 64.1823 174.2834 60 A 3.9416 8.4832 125.1839 55.1890 17.9171 179.3843 61 K 3.7430 8.0826 116.5645 59.7994 32.0664 178.6366 62 E 3.9346 7.9799 117.9249 59.6190 29.6671 178.9648 63 Q 3.8960 8.4802 119.6956 59.8164 28.9305 177.6411 64 R 4.0689 8.1615 120.3642 57.9478 29.8273 178.2663 65 I 3.6475 7.8987 113.8242 65.1595 37.4614 176.9890 66 L 3.8141 8.3533 121.6290 57.7941 41.6148 178.3738 67 A 3.9249 8.1658 119.2633 55.5644 18.5242 179.3090 68 K 3.7511 8.2142 116.7707 60.2020 32.1866 179.2707 69 T 3.8791 7.8925 109.3899 65.0847 68.7818 176.0213 70 I 3.6599 7.9622 123.1438 64.1951 37.1840 178.0770 71 K 3.8524 7.9936 118.7094 59.6856 31.9314 179.2021 72 R 3.8302 7.6576 118.0208 59.5131 30.0321 178.7638 73 A 4.0318 7.9411 119.9286 55.3371 18.4308 179.6589 74 R 4.1659 7.4615 117.3957 58.9154 29.7670 179.3889 75 I 3.9777 7.4709 118.3020 64.1737 37.2190 177.6980 76 L 4.3623 7.8435 116.9258 54.6998 41.6297 177.9765 77 G 3.9898 7.9471 107.6164 45.6395 0.0000 173.8148 78 L 4.6134 7.3370 118.8575 54.9742 41.4637 176.7235 79 L 4.4480 7.1627 116.3646 54.8755 45.1206 172.4197 80 P 4.6012 0.0000 0.0000 62.5837 31.8916 176.6174 81 F 4.3272 8.6018 118.9662 58.3142 39.5505 176.0569 82 T 4.4803 7.0457 116.5878 61.9221 69.3906 170.8600 83 E 4.8025 8.0040 124.1185 54.5873 33.0429 174.5071 84 K 4.4139 8.2442 118.3578 54.7640 33.5245 176.8569 85 L 3.9838 8.3038 123.7502 55.0570 42.6005 176.7069 86 V 3.9765 8.0675 124.7054 61.7067 32.2641 171.1465 87 R 3.8393 8.7489 135.0000 55.7200 29.2644 175.7865 88 K 4.1603 8.5022 125.0563 56.4734 32.3820 175.5021 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 19 K 8.31 4.15 0.00 1.71 1.91 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.51 7.81 20 A 7.21 4.36 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 21 K 7.91 4.18 0.00 1.82 1.81 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.39 7.81 22 V 8.30 3.80 2.09 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 0.75 0.00 0.00 0.94 0.00 0.00 23 K 8.03 4.00 0.00 2.16 1.90 0.00 1.97 0.00 0.00 1.83 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.54 7.81 24 A 7.94 4.24 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 25 T 7.47 4.13 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 1.12 0.00 0.00 26 L 7.44 4.77 0.00 1.44 1.36 0.03 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.21 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 0.00 0.00 0.00 28 E 8.86 4.37 0.00 2.00 1.92 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 2.30 2.32 0.00 29 F 8.07 4.82 0.00 3.13 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 30 D 8.70 4.44 0.00 2.76 2.64 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 31 L 7.97 4.92 0.00 1.83 1.87 0.87 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.65 4.51 0.00 1.89 2.14 0.00 3.26 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 33 D 8.05 4.40 0.00 2.67 2.56 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 34 Y 7.71 4.86 0.00 3.10 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 35 R 8.13 4.45 0.00 1.71 1.87 0.00 3.09 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.14 0.00 36 N 7.67 4.72 0.00 3.01 3.00 0.00 0.00 6.89 7.55 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 37 V 7.91 3.61 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 1.07 0.00 0.00 0.92 0.00 0.00 38 E 8.06 3.56 0.00 1.90 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 2.28 2.34 0.00 39 V 8.18 3.58 2.25 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 0.84 0.00 0.00 0.91 0.00 0.00 40 L 7.91 4.20 0.00 1.91 1.81 1.03 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.65 4.01 0.00 1.75 1.82 0.00 1.67 0.00 0.00 1.61 0.00 0.00 3.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.50 7.81 42 R 7.45 4.16 0.00 1.54 1.34 0.00 3.05 0.00 0.00 3.08 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.43 0.00 43 F 8.51 5.11 0.00 3.27 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 44 L 8.20 5.20 0.00 1.90 1.60 1.04 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.99 3.56 0.00 4.07 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 46 E 8.74 4.54 0.00 1.96 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 2.22 2.20 0.00 47 T 7.67 4.70 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 1.22 0.00 0.00 48 G 8.05 4.03 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 0.00 0.00 0.00 49 K 7.70 4.20 0.00 1.86 1.77 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.56 1.48 7.81 50 I 8.23 4.28 1.89 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 1.36 0.74 0.92 0.00 0.00 51 L 8.14 4.63 0.00 1.69 1.65 0.97 1.07 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 52 P 0.00 4.50 0.00 2.21 2.22 0.00 3.74 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 2.10 2.02 0.00 53 R 8.74 4.24 0.00 1.91 2.05 0.00 3.45 0.00 0.00 3.31 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.63 0.00 54 R 7.83 3.76 0.00 1.82 2.04 0.00 3.16 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 55 R 7.85 4.51 0.00 1.82 1.92 0.00 3.30 0.00 0.00 3.40 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 56 T 8.95 3.98 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 57 G 8.56 4.19 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 0.00 0.00 0.00 58 L 7.35 4.91 0.00 1.59 1.64 1.09 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 59 S 9.82 4.33 0.00 3.86 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 60 A 8.48 3.94 1.31 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 0.00 0.00 61 K 8.08 3.74 0.00 1.82 1.83 0.00 1.71 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.54 7.81 62 E 7.98 3.93 0.00 2.30 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 2.35 2.34 0.00 63 Q 8.48 3.90 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 64 R 8.16 4.07 0.00 2.07 1.82 0.00 3.20 0.00 0.00 3.21 8.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 65 I 7.90 3.65 1.84 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 1.38 0.99 0.90 0.00 0.00 66 L 8.35 3.81 0.00 1.58 1.70 0.45 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.17 3.92 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 68 K 8.21 3.75 0.00 1.95 1.85 0.00 1.56 0.00 0.00 1.81 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.50 7.81 69 T 7.89 3.88 4.35 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 1.36 0.00 0.00 70 I 7.96 3.66 2.04 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 1.67 1.24 0.90 0.00 0.00 71 K 7.99 3.85 0.00 2.06 1.88 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.67 7.81 72 R 7.66 3.83 0.00 1.86 1.72 0.00 2.91 0.00 0.00 2.68 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 73 A 7.94 4.03 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 74 R 7.46 4.17 0.00 1.69 0.66 0.00 2.97 0.00 0.00 2.97 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.20 0.00 75 I 7.47 3.98 2.05 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.79 0.96 0.00 0.00 76 L 7.84 4.36 0.00 1.79 1.76 1.03 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.95 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 0.00 0.00 0.00 78 L 7.34 4.61 0.00 1.80 1.77 1.02 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.16 4.45 0.00 1.61 1.41 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.60 0.00 2.03 1.99 0.00 3.62 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 81 F 8.60 4.33 0.00 3.07 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 82 T 7.05 4.48 4.33 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 1.28 0.00 0.00 83 E 8.00 4.80 0.00 2.15 1.99 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 2.19 2.39 0.00 84 K 8.24 4.41 0.00 1.77 1.78 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.77 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.37 7.81 85 L 8.30 3.98 0.00 1.59 1.57 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.07 3.98 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 0.86 0.00 0.00 0.99 0.00 0.00 87 R 8.75 3.84 0.00 1.99 2.00 0.00 3.23 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 88 K 8.50 4.16 0.00 1.72 1.62 0.00 1.88 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.33 7.81