NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3023 8.3044 120.3256 55.1572 33.3774 174.2525 2 Q 4.1692 8.4377 124.7212 54.6012 29.9656 172.7639 3 Y 4.6525 9.4157 124.2359 56.0905 40.9557 174.5427 4 K 4.6051 8.7167 123.8986 54.6115 33.8739 176.0730 5 V 4.2636 8.0977 122.8277 61.2361 34.1890 174.0170 6 I 4.0468 8.2995 128.3610 59.9990 37.5873 175.1479 7 L 4.5516 7.9980 125.5368 53.3676 43.9075 177.0852 8 N 4.7760 8.8017 122.0723 55.7045 40.3171 175.8391 9 G 3.8627 8.5744 111.4210 45.3349 0.0000 171.0343 10 K 3.8456 8.2863 117.1247 56.0057 32.5254 177.2619 11 T 4.0648 8.3803 114.1504 61.6876 69.4457 173.7610 12 L 4.3869 7.6702 120.0056 54.0101 45.1366 174.4855 13 K 4.0890 8.8777 121.6507 55.5246 32.5037 177.6325 14 G 4.6269 9.5712 123.3362 45.2546 0.0000 172.1862 15 E 4.1229 7.9056 117.9003 55.2613 28.8022 174.9615 16 T 3.0346 7.2191 111.7019 64.9484 67.5215 169.7150 17 T 4.3526 7.6658 109.0077 61.9038 71.2360 174.7205 18 T 4.6033 7.4509 112.4417 58.8534 72.1627 172.7730 19 E 4.6346 8.2987 120.9160 55.2725 32.0876 174.6207 20 A 4.6558 8.2977 118.6443 54.4126 24.9410 178.0506 21 V 4.0223 7.5576 110.5119 60.2042 30.6735 174.9081 22 D 4.9728 7.4276 120.2065 52.3362 44.6509 175.4840 23 A 3.8730 8.5204 127.4132 55.6193 18.4063 180.1772 24 A 3.9194 7.9004 118.3619 55.3952 18.3816 179.8366 25 T 3.8478 7.7136 114.0878 66.5913 68.5261 176.4924 26 F 4.1874 8.2762 122.5032 61.3289 39.3938 176.8393 27 E 3.9368 7.6268 117.7081 59.3453 29.2692 179.4373 28 K 3.9725 8.0844 119.2350 59.5913 32.3719 179.0405 29 V 3.5871 8.0961 118.8755 66.0525 31.5095 178.1980 30 V 3.7951 8.2815 118.4046 65.7950 31.3323 178.0056 31 K 4.0259 8.6004 119.7738 59.5669 31.6811 178.6709 32 Q 3.9886 8.6930 120.2810 59.0670 28.7625 177.9344 33 F 4.0764 8.3383 120.9808 61.5093 39.7526 176.8769 34 F 3.7849 8.0171 117.1327 60.0108 38.6959 177.4456 35 N 4.6558 8.5339 118.1106 55.7815 38.0907 176.7809 36 D 4.4592 7.4749 119.0112 56.1332 40.9401 177.2672 37 N 4.8389 8.3721 115.8264 51.9167 38.8443 174.7582 38 G 4.0157 8.3991 109.7728 46.6671 0.0000 173.9545 39 V 4.3480 7.4911 116.9941 60.9613 34.5700 173.8777 40 D 4.6355 8.4269 124.3378 52.8248 45.3950 173.5183 41 G 3.9478 8.1776 104.2886 44.7288 0.0000 173.1628 42 E 4.6176 8.1516 121.5945 54.3564 33.6503 174.8447 43 W 4.1679 8.8116 121.8807 56.8593 29.2149 175.9316 44 T 4.6894 8.2000 113.8730 59.5879 70.4269 173.9998 45 Y 4.2116 8.4533 121.8318 57.9348 38.6101 175.7524 46 D 4.6932 8.5988 123.3080 53.8098 41.7799 175.9644 47 D 4.4372 8.5107 121.0728 53.9604 41.3289 176.6527 48 A 4.1369 8.6095 126.7115 53.1068 18.9121 176.7790 49 T 4.7797 8.1890 116.7914 61.6581 72.6445 173.5284 50 K 4.7013 8.5492 122.7535 54.8706 34.8546 175.9119 51 T 4.6328 8.2352 118.6502 61.4916 71.5554 173.3651 52 F 4.2888 8.9242 128.4284 57.9551 39.9282 174.4318 53 T 4.3248 7.5665 125.0138 61.6206 69.5655 175.0363 54 V 3.8510 8.0716 126.0757 63.5947 31.7310 173.8934 55 T 4.5643 7.6324 118.6912 61.4482 76.4400 173.9152 56 E 4.1356 8.0633 126.4950 57.1019 29.4581 174.6081 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 M 8.30 4.30 0.00 1.72 2.11 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 2 Q 8.44 4.17 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.67 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 3 Y 9.42 4.65 0.00 3.11 2.94 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 0.00 0.00 0.00 4 K 8.72 4.61 0.00 1.77 1.76 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.42 7.81 5 V 8.10 4.26 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 0.78 0.00 0.00 1.05 0.00 0.00 6 I 8.30 4.05 1.82 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 1.38 0.66 0.86 0.00 0.00 7 L 8.00 4.55 0.00 1.23 1.42 0.39 1.11 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 8 N 8.80 4.78 0.00 2.71 2.60 0.00 0.00 7.09 8.32 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 9 G 8.57 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 0.00 0.00 0.00 10 K 8.29 3.85 0.00 1.74 1.83 0.00 1.81 0.00 0.00 2.39 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.36 7.81 11 T 8.38 4.06 4.23 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 1.20 0.00 0.00 12 L 7.67 4.39 0.00 1.59 1.55 0.91 0.90 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 13 K 8.88 4.09 0.00 1.72 1.75 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.50 7.81 14 G 9.57 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 7.91 4.12 0.00 2.23 2.35 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 2.13 2.30 0.00 16 T 7.22 3.03 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 1.25 0.00 0.00 17 T 7.67 4.35 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 18 T 7.45 4.60 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 19 E 8.30 4.63 0.00 1.96 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 2.22 2.27 0.00 20 A 8.30 4.66 1.22 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 0.00 0.00 0.00 21 V 7.56 4.02 2.03 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 0.78 0.00 0.00 0.93 0.00 0.00 22 D 7.43 4.97 0.00 2.69 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.52 3.87 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 24 A 7.90 3.92 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 25 T 7.71 3.85 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 1.27 0.00 0.00 26 F 8.28 4.19 0.00 2.97 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 7.63 3.94 0.00 2.03 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 1.47 1.75 0.00 28 K 8.08 3.97 0.00 1.92 1.82 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 29 V 8.10 3.59 2.13 0.00 0.00 0.00 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 0.95 0.00 0.00 30 V 8.28 3.80 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 1.18 0.00 0.00 -0.51 0.00 0.00 31 K 8.60 4.03 0.00 2.13 2.03 0.00 1.82 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.62 1.45 7.81 32 Q 8.69 3.99 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 33 F 8.34 4.08 0.00 2.73 3.12 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 0.00 0.00 0.00 34 F 8.02 3.78 0.00 3.16 2.81 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 35 N 8.53 4.66 0.00 2.90 2.87 0.00 0.00 6.83 7.71 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 36 D 7.47 4.46 0.00 2.51 2.70 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 37 N 8.37 4.84 0.00 2.75 2.81 0.00 0.00 6.96 7.03 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 38 G 8.40 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.49 4.35 2.03 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 0.92 0.00 0.00 0.93 0.00 0.00 40 D 8.43 4.64 0.00 2.60 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.18 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 0.00 0.00 0.00 42 E 8.15 4.62 0.00 1.91 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 2.23 2.32 0.00 43 W 8.81 4.17 0.00 3.21 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 44 T 8.20 4.69 4.30 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 0.00 0.00 0.00 1.26 0.00 0.00 45 Y 8.45 4.21 0.00 3.06 2.96 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 46 D 8.60 4.69 0.00 2.74 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.51 4.44 0.00 2.70 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 48 A 8.61 4.14 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 49 T 8.19 4.78 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 1.23 0.00 0.00 50 K 8.55 4.70 0.00 1.73 1.72 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.43 7.81 51 T 8.24 4.63 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 1.24 0.00 0.00 52 F 8.92 4.29 0.00 2.96 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 53 T 7.57 4.32 4.02 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 0.00 0.00 0.00 1.12 0.00 0.00 54 V 8.07 3.85 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 0.87 0.00 0.00 1.04 0.00 0.00 55 T 7.63 4.56 4.20 0.00 0.00 0.00 0.00 0.00 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 56 E 8.06 4.14 0.00 2.14 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 2.25 2.32 0.00