NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2829 8.2644 123.5822 52.0630 19.8512 175.5217 2 V 4.3222 7.9112 120.3504 58.6289 34.9199 173.0751 3 Q 4.3393 9.2088 122.1626 56.1281 30.1311 175.2244 4 Q 4.5933 8.4540 115.4267 55.9634 31.1186 176.0540 5 N 4.8650 7.7929 113.6979 50.7290 42.3904 173.3979 6 K 3.7551 8.7554 123.4757 55.9621 31.8923 174.2572 7 P 4.1589 0.0000 0.0000 62.9771 31.6818 177.0347 8 T 3.9144 8.6023 117.6782 62.4323 69.0369 174.2596 9 R 3.9279 8.7022 123.5259 59.7229 29.1714 178.6045 10 S 3.9893 8.1102 113.0118 61.3013 62.1083 175.6516 11 K 3.7752 8.0497 120.6305 59.8820 32.0116 177.7292 12 R 4.0509 7.8192 118.0890 59.9038 29.9066 178.3476 13 G 3.6974 8.1813 104.8670 48.3405 0.0000 175.2185 14 M 4.0971 7.8021 119.6328 57.9453 31.9433 178.3380 15 R 4.1463 7.9283 118.3076 58.5228 30.7833 177.6020 16 R 4.4903 7.8725 116.2121 56.0466 30.1046 178.1041 17 S 4.0689 7.8258 114.3012 61.5673 62.9599 175.3214 18 H 4.6090 7.8799 116.4246 56.7156 29.1568 176.4455 19 D 4.4396 7.7154 115.9881 54.9892 40.2386 176.3422 20 A 4.1988 7.6185 122.8892 51.9831 18.9150 177.4440 21 L 4.5642 8.0323 119.8424 53.6951 43.5784 176.0694 22 T 4.6315 7.9028 112.6121 59.9951 70.6228 175.3628 23 A 4.3376 8.4053 129.6460 52.3941 19.1550 178.2831 24 V 4.2465 8.4442 110.4287 60.7948 32.3180 175.9705 25 T 3.3673 8.8450 107.9672 62.2286 67.6154 169.4975 26 S 4.0721 7.6228 120.0919 58.8176 63.7560 171.0676 27 L 5.1139 8.1422 123.7844 54.6616 43.0162 174.7948 28 S 4.9990 8.0493 109.8369 56.9142 66.5194 174.3329 29 V 4.7330 8.1482 121.6442 59.4164 33.6992 175.0795 30 D 4.5187 8.4482 122.8499 54.4816 41.7929 175.8183 31 K 4.3954 8.3367 120.4019 58.5308 34.2964 178.0627 32 T 4.1084 8.0990 116.2255 65.4662 69.0025 174.3119 33 S 4.7193 7.9738 115.0484 55.9571 65.7355 175.0273 34 G 3.6578 8.6036 109.8886 46.6827 0.0000 173.1041 35 E 3.8407 7.9527 121.1209 56.7620 30.4975 176.2035 36 K 4.4059 8.7095 127.0978 55.9514 33.1207 174.7892 37 H 5.1490 8.4882 123.6197 53.5906 32.1632 172.1438 38 L 4.5430 8.1577 119.0306 53.3851 43.0690 175.9402 39 R 3.8820 8.3564 123.7634 58.7260 30.3116 176.2524 40 H 4.6801 10.3415 117.6199 56.6679 25.8427 174.0655 41 H 3.7837 7.6642 110.0903 55.1839 31.0573 173.4323 42 I 3.6291 6.9468 121.0695 58.9956 38.6620 176.0870 43 T 4.4690 8.1686 118.5857 62.1051 68.7426 175.4820 44 A 4.6266 8.6283 127.2382 52.1395 19.1780 177.5627 45 D 4.6658 8.1245 112.4488 54.5460 41.9416 175.7405 46 G 4.4060 8.6601 107.7450 47.5337 0.0000 173.0922 47 Y 4.9502 7.8372 117.0633 56.8471 41.4575 176.5851 48 Y 4.8873 7.7636 128.6296 58.4885 45.5277 175.9045 49 R 4.3133 8.3850 112.5664 56.4655 30.3569 175.6447 50 G 4.3825 8.3143 104.1970 44.1023 0.0000 173.3401 51 R 3.6648 8.3351 119.7209 57.7081 29.7407 175.6453 52 K 4.3752 7.7579 112.4253 55.9113 32.5965 177.4148 53 V 3.4951 7.4583 113.2593 62.8842 32.4436 172.6657 54 I 3.5125 8.4432 131.6022 60.8596 36.7914 173.5540 55 A 4.2023 8.5401 127.8159 51.2310 19.6109 177.1891 56 K 4.3179 8.4599 117.4379 57.5249 34.2845 174.5996 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 A 8.26 4.28 1.27 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 0.00 0.00 0.00 2 V 7.91 4.32 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 0.87 0.00 0.00 0.93 0.00 0.00 3 Q 9.21 4.34 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.64 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 4 Q 8.45 4.59 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.73 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 5 N 7.79 4.86 0.00 2.64 2.65 0.00 0.00 6.85 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 6 K 8.76 3.76 0.00 1.71 1.78 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.48 7.81 7 P 0.00 4.16 0.00 2.07 2.03 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 8 T 8.60 3.91 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 1.23 0.00 0.00 9 R 8.70 3.93 0.00 2.07 2.19 0.00 3.03 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 10 S 8.11 3.99 0.00 3.90 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 11 K 8.05 3.78 0.00 1.76 2.03 0.00 1.75 0.00 0.00 1.63 0.00 0.00 3.09 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.58 7.81 12 R 7.82 4.05 0.00 1.92 2.15 0.00 3.16 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 13 G 8.18 3.70 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 0.00 0.00 0.00 14 M 7.80 4.10 0.00 2.02 2.29 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.54 0.00 15 R 7.93 4.15 0.00 1.80 2.11 0.00 3.25 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 16 R 7.87 4.49 0.00 2.02 1.92 0.00 3.20 0.00 0.00 3.21 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 17 S 7.83 4.07 0.00 3.81 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 18 H 7.88 4.61 0.00 3.22 3.36 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 7.72 4.44 0.00 2.78 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 20 A 7.62 4.20 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 21 L 8.03 4.56 0.00 1.64 1.62 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 22 T 7.90 4.63 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 23 A 8.41 4.34 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 24 V 8.44 4.25 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 0.98 0.00 0.00 0.97 0.00 0.00 25 T 8.85 3.37 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 26 S 7.62 4.07 0.00 4.12 3.95 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 27 L 8.14 5.11 0.00 1.60 1.65 0.94 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.05 5.00 0.00 3.98 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 29 V 8.15 4.73 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 0.78 0.00 0.00 0.96 0.00 0.00 30 D 8.45 4.52 0.00 2.57 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 31 K 8.34 4.40 0.00 1.89 1.90 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.34 1.38 7.81 32 T 8.10 4.11 4.64 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 1.44 0.00 0.00 33 S 7.97 4.72 0.00 3.41 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 34 G 8.60 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.95 3.84 0.00 1.72 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 2.16 2.50 0.00 36 K 8.71 4.41 0.00 1.76 1.74 0.00 1.72 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.46 7.81 37 H 8.49 5.15 0.00 3.25 3.39 0.00 5.30 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.16 4.54 0.00 1.71 1.71 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.36 3.88 0.00 1.83 1.95 0.00 3.53 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 40 H 10.34 4.68 0.00 3.19 3.45 0.00 5.98 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 7.66 3.78 0.00 3.01 3.01 0.00 5.60 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 6.95 3.63 1.81 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 1.38 0.74 0.92 0.00 0.00 43 T 8.17 4.47 4.29 0.00 0.00 0.00 0.00 0.00 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 44 A 8.63 4.63 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 45 D 8.12 4.67 0.00 3.03 2.82 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 46 G 8.66 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 0.00 0.00 0.00 0.00 47 Y 7.84 4.95 0.00 3.11 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 48 Y 7.76 4.89 0.00 2.91 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.39 4.31 0.00 1.52 1.69 0.00 2.66 0.00 0.00 2.80 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.50 0.00 50 G 8.31 4.38 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 0.00 51 R 8.34 3.66 0.00 1.88 1.90 0.00 3.39 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 52 K 7.76 4.38 0.00 1.11 1.42 0.00 1.49 0.00 0.00 2.24 0.00 0.00 3.20 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.95 0.21 7.81 53 V 7.46 3.50 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 0.73 0.00 0.00 1.00 0.00 0.00 54 I 8.44 3.51 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 1.34 0.33 0.91 0.00 0.00 55 A 8.54 4.20 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 56 K 8.46 4.32 0.00 1.94 1.94 0.00 1.50 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.48 7.81