NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 27 M 4.2119 8.3044 120.3264 56.5160 33.9984 176.3819 28 D 3.9161 6.5639 116.2897 53.0010 39.9733 172.9706 29 L 5.0429 8.2930 135.0000 54.0676 45.3526 174.7042 30 A 4.0163 7.4959 120.6949 55.4618 17.8130 177.8122 31 P 4.2180 0.0000 0.0000 65.9276 31.0958 178.8876 32 Q 4.0689 7.9989 116.3568 59.1367 28.4381 178.4125 33 M 4.1109 7.9301 119.7530 57.9460 31.9341 178.5933 34 L 4.0240 7.8554 120.6255 57.8428 42.2842 178.7165 35 R 3.8790 7.6221 117.7640 59.7845 30.1801 178.4197 36 E 4.0240 7.8991 117.5466 59.1710 29.3246 179.3697 37 L 4.0969 7.5001 117.8997 57.6198 41.8916 179.2943 38 Q 4.0338 8.1991 118.0553 58.9431 28.6281 178.6230 39 E 4.0149 8.3522 119.7410 59.6272 29.4590 179.4457 40 T 3.8986 7.7859 115.5305 66.5567 68.5502 176.0822 41 N 4.5337 8.2840 117.5141 55.0440 38.4896 177.4982 42 A 3.9706 7.6694 121.7942 54.8419 18.8780 179.2063 43 A 4.0559 8.0356 119.2541 55.3961 18.5786 179.7067 44 L 3.9387 7.9150 118.7656 58.1822 41.5575 178.8589 45 Q 3.9795 7.9493 119.6575 59.1092 28.9216 178.1804 46 D 4.1741 8.0127 119.9473 57.3937 41.0223 178.7503 47 V 3.6089 7.8433 118.2025 65.9111 31.2332 177.7955 48 R 3.8154 7.9318 118.3858 59.6588 30.1426 178.4691 49 E 4.0119 7.7350 117.9024 59.2586 29.3513 179.4176 50 L 4.0113 8.0028 119.2211 57.8296 41.7735 179.5484 51 L 4.0218 7.9660 118.7925 57.5894 41.1041 179.7216 52 R 3.9649 7.7556 118.0733 58.9759 30.0837 178.7820 53 Q 4.0394 8.0096 117.5221 58.3594 28.9141 178.0941 54 Q 3.9392 8.2131 120.8974 59.1247 29.0122 178.4847 55 V 3.5378 7.7227 119.1961 65.4525 31.6719 177.6261 56 K 3.4638 7.4822 119.4109 59.5876 31.9242 178.3106 57 E 4.1084 7.8964 116.6255 58.7508 29.8119 178.8097 58 I 3.6859 7.5104 121.2311 64.5405 37.1277 178.1384 59 T 3.9707 8.0541 113.9238 64.7604 67.1701 176.3724 60 F 4.7404 7.5648 118.7687 60.1919 38.7754 177.5087 61 L 4.0999 8.0821 119.6033 58.0195 42.1260 178.3776 62 K 4.0620 8.1113 120.1895 59.1000 32.3508 178.2470 63 N 4.2895 8.5584 117.0513 56.8737 38.3595 177.6878 64 T 3.9997 7.5791 115.9100 66.5815 68.5842 176.8666 65 V 3.7847 7.9935 119.6498 65.4729 31.2677 178.1423 66 M 4.1615 7.9263 117.7042 58.2085 32.0034 177.3402 67 E 4.7021 7.2938 114.7885 55.5318 30.1525 176.4814 68 C 4.3515 7.5058 119.8860 58.5081 31.8138 173.6948 69 D 4.4899 8.6668 127.6353 55.9188 40.7244 177.5165 70 A 4.2720 7.8168 122.1477 54.4500 19.2997 178.0672 71 C 4.4569 8.1161 110.9205 59.4068 28.4757 174.1106 72 G 3.7735 7.6881 114.5368 46.4348 0.0000 173.5491 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 27 M 8.30 4.21 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 28 D 6.56 3.92 0.00 2.76 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 29 L 8.29 5.04 0.00 1.83 1.59 0.92 0.96 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 30 A 7.50 4.02 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 P 0.00 4.22 0.00 2.17 2.11 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 32 Q 8.00 4.07 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.61 2.39 0.00 33 M 7.93 4.11 0.00 2.01 2.28 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.54 0.00 34 L 7.86 4.02 0.00 1.94 1.83 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.62 3.88 0.00 1.99 2.09 0.00 3.39 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 36 E 7.90 4.02 0.00 2.10 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 2.33 2.40 0.00 37 L 7.50 4.10 0.00 2.03 1.70 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.20 4.03 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.63 0.00 39 E 8.35 4.01 0.00 2.17 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 2.33 2.49 0.00 40 T 7.79 3.90 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 1.21 0.00 0.00 41 N 8.28 4.53 0.00 2.78 2.85 0.00 0.00 6.87 8.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.67 3.97 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 43 A 8.04 4.06 1.38 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 44 L 7.91 3.94 0.00 1.96 1.68 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 7.95 3.98 0.00 2.48 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.61 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 46 D 8.01 4.17 0.00 3.00 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.84 3.61 2.19 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 1.02 0.00 0.00 0.96 0.00 0.00 48 R 7.93 3.82 0.00 2.09 2.05 0.00 3.14 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 49 E 7.73 4.01 0.00 1.87 1.98 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 2.32 2.49 0.00 50 L 8.00 4.01 0.00 1.87 1.71 0.92 0.40 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 51 L 7.97 4.02 0.00 1.86 1.69 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 52 R 7.76 3.96 0.00 1.98 1.94 0.00 3.10 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 53 Q 8.01 4.04 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 2.63 2.49 0.00 54 Q 8.21 3.94 0.00 2.24 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 55 V 7.72 3.54 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.92 0.00 0.00 56 K 7.48 3.46 0.00 1.78 1.81 0.00 1.62 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.10 1.05 7.81 57 E 7.90 4.11 0.00 2.31 2.19 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 2.53 2.32 0.00 58 I 7.51 3.69 2.01 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 1.61 0.94 0.89 0.00 0.00 59 T 8.05 3.97 4.22 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 0.98 0.00 0.00 60 F 7.56 4.74 0.00 3.31 2.98 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 61 L 8.08 4.10 0.00 1.80 1.97 0.95 0.51 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 62 K 8.11 4.06 0.00 2.01 1.99 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.49 7.81 63 N 8.56 4.29 0.00 2.96 2.93 0.00 0.00 7.20 7.19 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 64 T 7.58 4.00 4.45 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 1.22 0.00 0.00 65 V 7.99 3.78 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 1.04 0.00 0.00 0.99 0.00 0.00 66 M 7.93 4.16 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.64 0.00 67 E 7.29 4.70 0.00 2.04 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 2.45 2.44 0.00 68 C 7.51 4.35 0.00 3.23 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 D 8.67 4.49 0.00 2.68 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 70 A 7.82 4.27 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 71 C 8.12 4.46 0.00 2.98 2.97 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 0.00 0.00 0.00 72 G 7.69 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 0.00 0.00 0.00