NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3157 8.2649 123.5820 51.7119 19.4419 176.4507 2 K 4.0479 8.5788 115.2619 56.3826 33.6190 175.4821 3 G 4.0353 7.6105 109.8574 45.8053 0.0000 175.7703 4 I 4.2518 7.8312 120.6097 58.8823 36.9251 173.9770 5 R 4.6959 7.6158 122.9530 53.7439 34.1870 174.4120 6 E 4.0354 8.0385 118.6656 58.5914 29.9766 176.9075 7 K 4.2411 7.7356 120.4233 57.8748 33.6902 175.8306 8 I 4.6622 8.1982 122.5344 59.3077 41.5551 173.3854 9 K 4.7657 8.7520 129.5327 56.0572 33.3766 176.1282 10 L 4.7592 8.1026 123.3461 54.1224 44.0404 175.8337 11 V 4.6912 8.1463 114.5398 60.2299 33.0499 177.3748 12 S 4.6604 8.1760 118.7262 59.4817 64.9049 173.9595 13 S 4.9901 8.3391 105.1654 58.3679 63.0166 177.0160 14 A 4.8544 7.8095 125.9056 52.6642 18.3414 177.8117 15 G 3.9875 6.4045 105.2421 44.7975 0.0000 174.2879 16 T 4.0303 7.7224 118.6624 61.8579 68.7279 175.3417 17 G 3.7604 7.5115 109.3442 45.8739 0.0000 171.9414 18 H 4.7265 8.4108 113.8828 56.5878 29.8664 178.0502 19 F 3.3491 8.4960 119.4275 58.9373 37.5748 171.7999 20 Y 3.7929 9.0133 135.0000 57.6287 39.6276 169.0111 21 T 3.9674 6.9156 130.4209 63.6298 71.2533 171.4262 22 T 4.5728 7.9189 122.9961 62.0409 68.7591 174.1433 23 T 4.5837 7.9626 124.0485 62.1173 72.6221 174.2133 24 K 5.2620 8.5721 126.1524 56.4123 34.5340 176.5515 25 N 4.8615 8.3533 117.8284 51.9975 41.5760 175.1030 26 K 4.8101 8.5563 122.9483 55.9911 33.5086 177.3970 27 R 3.9998 8.4640 118.2338 58.7168 30.1354 177.6491 28 T 3.8070 8.0719 112.5998 61.8824 67.4779 173.4428 29 K 3.9675 8.6530 128.3424 55.7507 32.9554 174.6007 30 P 4.4853 0.0000 0.0000 62.5012 32.0230 175.1083 31 E 4.0194 8.1557 120.5351 57.5521 29.5373 177.0876 32 K 4.2082 8.2797 127.0288 56.0503 31.2355 175.0999 33 L 4.7787 7.8931 121.1901 53.3178 45.0324 173.7867 34 E 3.8334 9.0481 117.2108 59.3084 30.0742 177.9128 35 L 4.7371 8.6884 126.2439 54.4863 45.6641 178.7922 36 K 2.4800 8.7798 129.2022 56.5499 34.2468 173.8904 37 K 4.3026 7.4459 116.3224 56.4108 32.0006 175.6509 38 F 4.7227 8.6698 119.1067 56.1344 43.2115 173.2712 39 D 5.1108 8.2660 121.0625 51.4865 40.6791 173.4803 40 P 4.4392 0.0000 0.0000 61.6419 32.3466 177.5160 41 V 3.9648 8.3357 120.7427 62.6640 29.7386 176.6580 42 V 4.2294 7.3899 125.4438 61.3673 34.9364 172.6404 43 R 4.0521 8.8038 118.7680 56.7483 30.5720 176.3761 44 Q 4.2954 8.4252 118.4753 56.4789 29.3246 176.1007 45 H 3.9125 8.5759 114.0245 57.1568 26.1491 173.5690 46 V 4.3949 7.6134 122.8503 59.8016 34.5610 175.1413 47 I 4.2193 8.0853 124.7542 61.9908 38.4296 175.9827 48 Y 5.2878 7.4754 119.7414 58.0569 37.8333 178.5988 49 K 4.2456 9.2031 115.2917 57.0882 29.1773 176.3384 50 E 4.1497 8.2837 121.9489 58.1667 30.0442 177.8504 51 A 4.1713 7.7188 120.9391 52.4585 19.1242 177.1087 52 K 4.0355 8.2226 119.8056 57.0884 32.0633 175.3335 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 4.32 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 2 K 8.58 4.05 0.00 1.83 1.76 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.49 7.81 3 G 7.61 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 0.00 0.00 0.00 0.00 4 I 7.83 4.25 1.87 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 1.41 0.96 0.91 0.00 0.00 5 R 7.62 4.70 0.00 1.77 1.78 0.00 3.43 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 6 E 8.04 4.04 0.00 1.99 1.87 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 2.40 2.24 0.00 7 K 7.74 4.24 0.00 1.75 1.83 0.00 1.55 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.40 7.81 8 I 8.20 4.66 1.86 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 1.39 1.33 0.95 0.00 0.00 9 K 8.75 4.77 0.00 1.78 1.79 0.00 1.60 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.37 7.81 10 L 8.10 4.76 0.00 1.72 1.71 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.15 4.69 2.04 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 1.03 0.00 0.00 0.77 0.00 0.00 12 S 8.18 4.66 0.00 3.69 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 13 S 8.34 4.99 0.00 4.15 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 14 A 7.81 4.85 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 15 G 6.40 3.99 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 0.00 0.00 0.00 16 T 7.72 4.03 4.16 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 1.13 0.00 0.00 17 G 7.51 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 18 H 8.41 4.73 0.00 3.22 3.37 0.00 5.86 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 8.50 3.35 0.00 3.27 2.86 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 20 Y 9.01 3.79 0.00 3.12 3.13 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 0.00 0.00 0.00 0.00 21 T 6.92 3.97 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 0.80 0.00 0.00 22 T 7.92 4.57 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 1.19 0.00 0.00 23 T 7.96 4.58 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 1.21 0.00 0.00 24 K 8.57 5.26 0.00 1.74 1.82 0.00 1.08 0.00 0.00 2.36 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.37 7.81 25 N 8.35 4.86 0.00 2.58 2.75 0.00 0.00 6.92 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 26 K 8.56 4.81 0.00 2.08 1.84 0.00 1.20 0.00 0.00 2.37 0.00 0.00 2.78 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.37 7.81 27 R 8.46 4.00 0.00 2.13 2.03 0.00 3.34 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 28 T 8.07 3.81 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 29 K 8.65 3.97 0.00 1.76 1.78 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.58 7.81 30 P 0.00 4.49 0.00 2.05 1.99 0.00 3.67 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 2.03 2.07 0.00 31 E 8.16 4.02 0.00 1.92 1.75 0.00 0.00 0.00 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 2.22 0.00 32 K 8.28 4.21 0.00 1.74 1.75 0.00 1.77 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.50 7.81 33 L 7.89 4.78 0.00 1.61 1.53 0.97 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 34 E 9.05 3.83 0.00 2.15 1.92 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 2.32 2.48 0.00 35 L 8.69 4.74 0.00 1.73 0.70 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.78 2.48 0.00 1.33 1.44 0.00 1.55 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.12 1.23 7.81 37 K 7.45 4.30 0.00 1.73 1.86 0.00 1.76 0.00 0.00 1.79 0.00 0.00 2.73 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.64 1.53 7.81 38 F 8.67 4.72 0.00 3.06 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 39 D 8.27 5.11 0.00 2.73 2.53 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 0.00 40 P 0.00 4.44 0.00 2.12 2.06 0.00 3.81 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 41 V 8.34 3.96 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 0.85 0.00 0.00 1.01 0.00 0.00 42 V 7.39 4.23 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 0.76 0.00 0.00 0.90 0.00 0.00 43 R 8.80 4.05 0.00 1.79 1.93 0.00 3.24 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 44 Q 8.43 4.30 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.29 0.00 0.00 0.00 0.00 0.00 2.38 2.26 0.00 45 H 8.58 3.91 0.00 3.14 3.28 0.00 5.86 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.61 4.39 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 0.93 0.00 0.00 0.97 0.00 0.00 47 I 8.09 4.22 1.99 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.34 0.62 0.00 0.00 48 Y 7.48 5.29 0.00 3.07 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.20 4.25 0.00 1.97 2.16 0.00 1.51 0.00 0.00 1.54 0.00 0.00 2.75 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.27 0.82 7.81 50 E 8.28 4.15 0.00 1.90 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 2.15 2.15 0.00 51 A 7.72 4.17 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 52 K 8.22 4.04 0.00 1.64 1.58 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.26 1.35 7.81