NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3439 8.2644 123.5832 52.2277 19.0892 174.8385 3 R 4.2384 7.9971 118.3866 56.9265 32.0116 175.8840 4 K 4.0655 8.5185 118.6942 58.5506 33.3012 177.1444 5 A 4.3866 7.8210 120.1302 54.4606 19.5292 179.0507 6 L 4.1699 7.8544 117.1525 57.4731 41.5493 179.0101 7 I 4.0024 7.5269 111.1852 62.6442 37.9591 177.5202 8 E 4.1884 7.8180 120.5720 58.9552 29.6571 178.1674 9 K 3.8703 8.2702 118.5106 59.4820 32.2473 178.2986 10 A 3.7868 7.7737 119.9938 54.1568 18.2444 179.6410 11 K 4.0912 7.8878 117.2525 58.5032 32.3816 177.8860 12 R 3.8895 7.5315 118.0082 56.9529 30.1210 177.2811 13 T 4.3370 8.2692 121.4193 61.0014 67.6965 171.7226 14 P 5.0029 0.0000 0.0000 61.5686 34.3937 174.9598 15 K 3.0557 8.8139 113.3789 58.1218 30.7595 174.7922 16 F 3.9376 7.2706 117.7247 55.8536 37.5122 176.8997 17 K 3.9037 9.0968 125.7469 60.1211 32.3351 178.9517 18 V 3.6842 8.1264 111.7132 64.5863 31.7073 177.6576 19 R 4.0420 8.4888 118.0841 58.8771 30.0568 177.5410 20 A 4.0237 7.4910 120.1888 52.8644 18.6935 176.2211 21 Y 4.9750 7.7643 119.6658 54.5960 41.2588 175.3691 22 T 3.9876 8.5530 111.7466 61.8129 69.4148 173.7930 23 R 4.5835 8.2038 124.6861 54.2239 33.0336 174.1687 24 C 4.3131 8.7685 125.7364 59.8122 32.3206 173.3380 25 V 4.0130 7.8060 121.5748 65.1567 31.8271 177.8988 26 R 4.0468 8.1507 117.4030 58.8144 29.9928 176.3183 27 C 4.8652 7.6917 111.4055 55.7565 32.1794 174.8872 28 G 3.4053 9.0915 109.1284 48.5400 0.0000 174.0498 29 R 3.4458 6.9111 118.8322 53.7983 31.0455 175.9828 30 A 4.5595 8.6104 126.0786 52.2472 21.2288 176.5767 31 R 4.4868 7.7852 113.6449 55.7959 32.5564 175.9636 32 S 3.4199 8.3722 114.9591 59.7051 59.4779 172.2782 33 V 4.6149 7.2904 119.3070 61.0335 32.1795 174.5221 34 Y 4.0894 9.2274 127.2658 58.0052 37.8973 176.9113 35 R 4.1198 9.0801 124.9895 59.6755 30.4843 177.5356 36 F 4.1661 8.7296 117.9391 61.4575 39.2374 176.3761 37 F 4.5563 9.0140 116.4571 57.6496 39.6652 176.0935 38 G 4.0149 9.5039 109.5036 46.5705 0.0000 172.9842 39 L 5.0285 7.8113 117.3967 52.3592 45.9362 176.3823 40 C 4.9383 8.4591 116.3573 57.6156 30.4198 174.8320 41 R 4.1804 9.0480 118.2693 59.2048 28.6903 179.2583 42 I 3.6330 7.6507 120.4959 64.6060 37.4832 177.7678 43 C 4.1310 7.9935 116.9847 62.5618 28.0571 175.4532 44 L 3.7348 7.9628 122.0720 58.4617 41.3414 179.2746 45 R 3.7338 7.4164 117.9120 59.3086 29.8138 178.0700 46 E 3.9202 7.8211 117.4687 59.0867 29.5885 179.0544 47 L 4.2408 8.0129 118.3839 57.4070 42.2080 178.7897 48 A 3.9442 7.6696 120.5627 55.8752 18.0495 179.4155 49 H 4.2157 7.7472 113.2235 58.9140 28.5281 177.6649 50 K 4.2715 8.8816 119.1477 56.5790 31.8466 178.6159 51 G 3.8684 8.0862 107.9911 46.2221 0.0000 174.6494 52 Q 4.3287 7.6022 116.9021 55.8055 28.2675 176.0621 53 L 4.6333 7.3476 119.4237 52.0038 42.4140 174.3692 54 P 4.0265 0.0000 0.0000 64.0202 31.5740 178.6362 55 G 3.9804 8.9263 109.4783 46.2961 0.0000 174.0149 56 V 3.7814 7.6595 119.7795 62.9026 32.1028 175.1534 57 R 4.4812 8.3573 123.7177 54.6801 32.7142 173.9847 58 K 3.7134 8.6238 124.0195 57.0769 32.4729 175.4759 59 A 4.9170 8.3622 128.1070 51.1080 21.2952 175.7990 60 S 4.7773 7.8907 114.0811 57.3743 66.9956 174.9446 61 W 4.1351 8.2791 119.1561 57.5313 27.1999 174.2744 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 2 A 8.26 4.34 1.29 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 0.00 0.00 0.00 3 R 8.00 4.24 0.00 1.89 1.85 0.00 3.20 0.00 0.00 3.31 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 4 K 8.52 4.07 0.00 1.79 1.83 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.51 7.81 5 A 7.82 4.39 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 L 7.85 4.17 0.00 1.89 1.84 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.53 4.00 1.87 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 1.68 0.53 1.01 0.00 0.00 8 E 7.82 4.19 0.00 2.25 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 2.47 2.29 0.00 9 K 8.27 3.87 0.00 1.73 2.05 0.00 1.88 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.48 7.81 10 A 7.77 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.89 4.09 0.00 1.85 1.84 0.00 1.92 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.64 7.81 12 R 7.53 3.89 0.00 1.76 1.86 0.00 3.16 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 13 T 8.27 4.34 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 1.18 0.00 0.00 14 P 0.00 5.00 0.00 2.06 2.00 0.00 3.84 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.88 0.00 15 K 8.81 3.06 0.00 1.51 0.84 0.00 0.85 0.00 0.00 1.50 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.16 1.06 7.81 16 F 7.27 3.94 0.00 3.14 2.91 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 17 K 9.10 3.90 0.00 1.96 2.16 0.00 1.56 0.00 0.00 1.85 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.57 1.56 7.81 18 V 8.13 3.68 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 0.81 0.00 0.00 1.08 0.00 0.00 19 R 8.49 4.04 0.00 1.85 2.01 0.00 2.92 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 20 A 7.49 4.02 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 21 Y 7.76 4.97 0.00 3.03 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 22 T 8.55 3.99 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 1.25 0.00 0.00 23 R 8.20 4.58 0.00 1.58 1.67 0.00 3.57 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.66 0.00 24 C 8.77 4.31 0.00 3.01 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 25 V 7.81 4.01 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 0.85 0.00 0.00 1.00 0.00 0.00 26 R 8.15 4.05 0.00 1.87 1.99 0.00 3.24 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 27 C 7.69 4.87 0.00 3.09 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 28 G 9.09 3.41 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 29 R 6.91 3.45 0.00 1.80 1.84 0.00 3.11 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 30 A 8.61 4.56 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 31 R 7.79 4.49 0.00 1.79 1.83 0.00 3.31 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 32 S 8.37 3.42 0.00 4.04 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 33 V 7.29 4.61 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 0.89 0.00 0.00 0.99 0.00 0.00 34 Y 9.23 4.09 0.00 3.15 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 35 R 9.08 4.12 0.00 1.93 2.10 0.00 3.29 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 36 F 8.73 4.17 0.00 3.19 3.34 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 37 F 9.01 4.56 0.00 3.09 3.21 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 38 G 9.50 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 0.00 0.00 0.00 39 L 7.81 5.03 0.00 1.78 1.56 1.09 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.46 4.94 0.00 3.14 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 41 R 9.05 4.18 0.00 2.25 2.49 0.00 2.84 0.00 0.00 3.21 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 42 I 7.65 3.63 1.88 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 1.65 0.79 0.91 0.00 0.00 43 C 7.99 4.13 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 44 L 7.96 3.73 0.00 1.57 1.65 0.24 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.42 3.73 0.00 1.63 1.94 0.00 3.10 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.39 0.00 46 E 7.82 3.92 0.00 2.14 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 2.33 2.53 0.00 47 L 8.01 4.24 0.00 1.70 1.72 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.67 3.94 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 49 H 7.75 4.22 0.00 3.03 3.36 0.00 5.85 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.88 4.27 0.00 1.90 1.86 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.68 7.81 51 G 8.09 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 52 Q 7.60 4.33 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.52 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 53 L 7.35 4.63 0.00 1.64 1.82 0.93 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.03 0.00 2.18 2.04 0.00 3.77 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 55 G 8.93 3.98 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 0.00 0.00 0.00 56 V 7.66 3.78 2.30 0.00 0.00 0.00 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 1.19 0.00 0.00 57 R 8.36 4.48 0.00 1.77 1.73 0.00 3.34 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 58 K 8.62 3.71 0.00 1.76 1.78 0.00 1.83 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.42 7.81 59 A 8.36 4.92 1.42 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 0.00 0.00 0.00 60 S 7.89 4.78 0.00 3.91 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 61 W 8.28 4.14 0.00 3.29 3.05 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