NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1866 8.2549 119.6884 54.9199 31.7005 175.0968 2 P 4.0631 0.0000 0.0000 62.1716 31.8544 176.3566 3 D 4.3994 8.3806 121.4549 57.0060 41.8249 178.6115 4 F 4.3098 7.9829 114.7705 59.7865 37.5263 177.8343 5 C 4.6717 7.3988 115.9866 59.1570 40.0188 174.7263 6 L 4.3294 7.8471 118.8388 54.0824 42.0613 176.5818 7 E 4.3093 7.4894 119.4081 54.8269 30.2556 175.0139 8 P 4.4022 0.0000 0.0000 61.4637 32.1449 174.3710 9 P 3.5325 0.0000 0.0000 62.6926 31.3285 175.1504 10 Y 4.6422 7.8057 121.4987 56.0643 40.5012 175.3866 11 T 4.0430 8.2873 125.1144 65.3075 68.8499 176.0144 12 G 3.7776 6.7157 104.6209 44.0290 0.0000 171.3066 13 P 4.3233 0.0000 0.0000 64.9873 31.8641 177.8708 14 C 4.5107 7.9205 116.2550 57.1194 40.7049 173.6513 15 V 4.1239 7.9086 112.8979 61.1171 31.8188 176.0478 16 A 4.3175 7.6858 122.3281 50.9074 20.5164 178.8594 17 R 4.4728 8.0105 116.6081 54.5727 29.3889 173.2585 18 I 4.3870 8.2437 122.2825 59.1787 39.6979 175.5044 19 I 4.1737 8.2764 128.4837 61.3139 37.6984 175.4978 20 R 4.7845 8.3579 124.8218 54.8341 35.2856 173.4170 21 Y 5.6129 9.5951 117.9371 56.5940 41.1438 175.2596 22 F 5.7266 9.5213 116.7988 55.4974 42.3370 172.7864 23 Y 4.4858 10.1249 122.7658 57.2411 40.2100 173.6972 24 N 4.6164 8.0872 126.1190 51.6255 39.3416 174.8605 25 A 3.7969 8.5215 130.1436 54.9895 18.8512 178.8112 26 K 4.0012 7.9379 113.9987 59.0551 32.1469 177.9361 27 A 4.2549 7.9321 119.2049 51.6127 19.6688 177.3507 28 G 4.1666 8.9409 103.9794 45.3376 0.0000 172.9555 29 L 4.6313 6.7755 117.7647 54.5497 43.9259 174.4160 30 C 5.0080 8.6549 116.9589 56.6354 40.0744 173.2575 31 Q 4.8809 8.6760 121.1254 54.1987 33.0385 174.5684 32 T 4.8692 8.4601 110.8573 61.4972 70.5810 173.6145 33 F 5.0054 8.8466 116.9392 56.0132 42.0501 172.8743 34 V 4.3398 8.4083 119.7977 61.9573 32.1931 174.1485 35 Y 4.7997 8.8182 130.2653 56.0115 40.2915 176.5521 36 G 3.6788 8.3286 113.7197 46.7357 0.0000 175.0473 37 G 3.7445 6.2039 107.3371 45.2744 0.0000 172.4479 38 C 5.0051 6.8087 111.3410 54.3378 44.7107 173.1845 39 R 3.8020 8.8435 116.3843 57.0995 27.1297 176.9077 40 A 4.2170 8.2597 119.0370 52.4215 19.0825 178.4092 41 K 4.3239 8.2802 121.0109 55.0509 33.7325 177.3756 42 R 3.4946 7.9961 117.9203 58.6935 30.3596 177.5595 43 N 4.7535 7.7178 118.2857 51.2929 37.3846 174.2646 44 N 5.0665 6.6648 116.5441 52.8658 41.2432 173.0624 45 F 5.0586 9.6754 124.9903 55.6024 42.2259 176.7524 46 K 4.5964 8.8387 121.7185 58.0557 32.8259 177.7956 47 S 4.4396 7.7581 112.9650 55.4686 67.1647 174.5774 48 A 3.3862 7.3253 124.8878 54.9228 18.0231 179.8337 49 E 3.7202 7.7671 117.3128 59.4858 29.9464 178.4961 50 D 4.2648 7.7997 118.7382 57.4950 40.9301 178.0724 51 C 2.4500 7.5378 118.3148 59.0917 44.7344 175.6718 52 L 3.8541 7.9019 120.8397 57.8174 40.9363 179.7741 53 R 3.8596 7.8966 117.2028 58.8011 29.9868 178.4117 54 T 4.2845 7.3184 114.1025 64.6912 69.5129 174.8878 55 C 4.4560 8.2726 115.9946 55.8037 41.9606 174.0030 56 G 3.7578 7.4017 109.5335 47.4334 0.0000 174.0745 57 G 3.8692 8.9433 112.9451 44.9026 0.0000 173.0137 58 A 4.0689 7.2184 127.1910 52.5231 18.2558 177.2632 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 R 8.25 4.19 0.00 1.66 1.69 0.00 3.36 0.00 0.00 3.09 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.65 0.00 2 P 0.00 4.06 0.00 0.74 1.62 0.00 3.22 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.03 0.00 3 D 8.38 4.40 0.00 2.69 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.98 4.31 0.00 3.20 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 5 C 7.40 4.67 0.00 2.93 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 6 L 7.85 4.33 0.00 1.73 1.76 0.94 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.49 4.31 0.00 2.19 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 8 P 0.00 4.40 0.00 2.07 2.01 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 9 P 0.00 3.53 0.00 0.77 0.49 0.00 3.24 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.58 0.00 10 Y 7.81 4.64 0.00 2.77 2.87 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 11 T 8.29 4.04 4.10 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 1.17 0.00 0.00 12 G 6.72 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 0.00 0.00 0.00 13 P 0.00 4.32 0.00 2.18 2.20 0.00 3.81 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 14 C 7.92 4.51 0.00 2.81 2.95 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 15 V 7.91 4.12 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 0.66 0.00 0.00 0.88 0.00 0.00 16 A 7.69 4.32 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.01 4.47 0.00 1.73 1.75 0.00 3.19 0.00 0.00 3.19 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 0.00 18 I 8.24 4.39 1.99 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.66 0.97 0.00 0.00 19 I 8.28 4.17 1.81 0.00 0.00 0.83 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 0.41 0.69 0.00 0.00 20 R 8.36 4.78 0.00 0.81 1.73 0.00 3.45 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.00 21 Y 9.60 5.61 0.00 3.16 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 22 F 9.52 5.73 0.00 3.09 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 10.12 4.49 0.00 3.09 3.02 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 24 N 8.09 4.62 0.00 2.38 2.43 0.00 0.00 6.72 8.82 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 25 A 8.52 3.80 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 26 K 7.94 4.00 0.00 1.89 1.87 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.39 7.81 27 A 7.93 4.25 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.94 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 6.78 4.63 0.00 1.71 1.73 0.80 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.65 5.01 0.00 2.91 3.17 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 0.00 0.00 0.00 0.00 31 Q 8.68 4.88 0.00 1.37 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.87 0.00 0.00 0.00 0.00 0.00 2.16 1.99 0.00 32 T 8.46 4.87 4.04 0.00 0.00 0.00 0.00 0.00 0.00 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 33 F 8.85 5.01 0.00 3.03 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 34 V 8.41 4.34 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 0.71 0.00 0.00 0.90 0.00 0.00 35 Y 8.82 4.80 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 36 G 8.33 3.68 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 0.00 0.00 0.00 37 G 6.20 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 6.81 5.01 0.00 3.06 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 39 R 8.84 3.80 0.00 2.21 2.21 0.00 3.27 0.00 0.00 3.33 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 40 A 8.26 4.22 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.28 4.32 0.00 1.72 1.67 0.00 1.58 0.00 0.00 1.51 0.00 0.00 2.37 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.11 1.15 7.81 42 R 8.00 3.49 0.00 0.83 0.66 0.00 2.50 0.00 0.00 2.89 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.25 0.00 43 N 7.72 4.75 0.00 3.21 2.88 0.00 0.00 6.70 7.79 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 44 N 6.66 5.07 0.00 2.67 2.59 0.00 0.00 7.09 7.02 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 45 F 9.68 5.06 0.00 3.26 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 46 K 8.84 4.60 0.00 1.84 1.95 0.00 1.77 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.48 7.81 47 S 7.76 4.44 0.00 3.85 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.33 3.39 0.94 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 0.00 0.00 49 E 7.77 3.72 0.00 1.95 1.86 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 2.30 2.33 0.00 50 D 7.80 4.26 0.00 3.05 2.87 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 51 C 7.54 2.45 0.00 2.69 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 52 L 7.90 3.85 0.00 1.71 1.61 0.86 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.90 3.86 0.00 1.82 1.93 0.00 3.10 0.00 0.00 3.19 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 54 T 7.32 4.28 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 1.59 0.00 0.00 55 C 8.27 4.46 0.00 2.72 2.32 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 56 G 7.40 3.76 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 0.00 0.00 0.00 57 G 8.94 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 58 A 7.22 4.07 1.15 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