NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4972 0.0000 0.0000 62.6722 33.6069 174.7487 2 F 5.2595 8.7706 122.7174 56.3895 41.6191 172.4797 3 I 4.2368 9.7586 129.8659 59.4972 39.7288 174.1123 4 E 4.8302 8.3325 126.4964 54.5459 31.8236 175.1214 5 C 4.7207 8.9522 122.2674 58.2089 31.3152 172.5849 6 H 5.4965 8.8890 121.6318 54.1734 30.0240 173.9546 7 I 4.8519 8.6511 116.0782 58.5639 41.6179 174.5169 8 A 4.8321 8.5390 124.3183 51.7828 18.8657 177.7071 9 T 4.0280 8.3313 111.4561 62.2681 69.0273 172.9033 10 G 3.4739 8.8235 114.8304 45.8322 0.0000 174.7774 11 L 4.1925 7.4905 120.2423 54.1041 42.4615 177.5453 12 S 4.3854 8.3312 116.8697 57.8424 65.2441 175.4401 13 V 3.5312 8.3736 121.9236 66.4695 31.2044 178.1780 14 A 4.0110 7.9468 119.7417 55.1515 18.2084 179.4434 15 R 3.8897 7.9957 117.0573 59.3474 30.0651 178.9150 16 K 3.9749 8.3438 118.6948 59.5580 31.9583 179.3547 17 Q 3.9796 8.2281 118.3672 58.8809 28.5058 178.5760 18 Q 3.9276 8.1614 120.7166 58.9637 29.0432 178.0318 19 L 3.9194 8.1074 121.4452 58.2495 42.0970 178.9492 20 I 3.6830 7.9360 119.8477 64.3881 37.0384 178.2339 21 R 3.8776 8.2325 119.6720 59.7388 29.8206 178.3356 22 D 4.3483 8.3746 118.7707 57.1588 40.7874 178.8380 23 V 3.5658 8.1913 119.2410 66.0426 31.4635 177.9767 24 I 3.6894 7.8843 119.5531 64.4826 37.0083 177.8351 25 D 4.3158 8.2047 118.8407 57.4536 41.1390 178.7410 26 V 3.6762 8.1687 120.0153 64.9501 31.3145 178.5099 27 T 3.8374 8.0583 116.4270 66.3815 68.3179 175.9949 28 N 4.5579 8.3473 120.6152 56.2522 38.7664 177.0620 29 K 4.0277 7.9259 118.6348 59.2928 32.1785 179.2394 30 S 4.3654 8.1063 114.0152 60.3217 63.3985 174.9820 31 I 4.2814 7.6003 112.0838 59.4623 38.3379 176.2070 32 G 3.9048 8.2793 109.1834 45.8792 0.0000 174.0104 33 S 4.1959 7.7359 116.5368 57.7853 63.5162 173.3154 34 D 4.4186 8.7124 124.5640 53.8412 41.7922 175.1727 35 P 4.2392 0.0000 0.0000 65.5445 31.4662 178.1062 36 K 4.2198 8.5883 116.1748 58.3016 32.6848 177.5309 37 I 4.3988 7.9092 112.6754 60.5166 37.7384 174.6598 38 I 4.6433 7.5167 121.6328 60.3183 38.5042 174.8909 39 N 5.2109 9.2122 124.0655 51.4322 42.0447 173.7044 40 V 5.0004 8.4931 121.5230 61.0718 35.0197 174.1310 41 L 4.8240 9.0537 128.9560 53.1759 45.2133 174.4400 42 L 5.1014 8.6830 128.3865 53.3051 43.8371 175.4898 43 V 4.4733 8.9392 126.3156 59.8802 34.1410 174.2580 44 E 5.2180 8.7085 123.5821 54.9430 31.8712 175.0322 45 H 5.0595 8.8931 119.4477 53.5038 33.5406 173.1671 46 A 4.3789 8.6435 124.2833 52.1653 19.2155 178.5477 47 E 3.8387 8.8886 120.5296 59.4686 29.6478 179.4226 48 A 4.1627 7.9291 119.6834 54.2846 18.5137 177.4311 49 N 4.7265 7.9729 111.7622 53.4232 39.2200 174.8942 50 M 4.6915 7.8707 118.4226 53.2500 34.7222 175.0709 51 S 4.6397 8.5120 116.6122 56.5173 65.2423 172.7881 52 I 4.3833 8.2602 128.1671 60.8414 38.8867 175.8707 53 S 3.6907 9.4846 119.9125 59.7890 60.2248 173.1051 54 G 3.9229 8.3010 104.0639 46.2609 0.0000 174.2701 55 R 4.3241 7.8484 118.2379 54.9688 31.0616 175.9898 56 I 4.3586 8.0268 122.5135 59.4088 38.8627 175.2811 57 H 4.2725 9.0996 124.0938 56.8049 29.4893 174.4032 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 P 0.00 4.50 0.00 2.16 2.27 0.00 3.80 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 2 F 8.77 5.26 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 3 I 9.76 4.24 1.81 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 1.17 0.63 0.82 0.00 0.00 4 E 8.33 4.83 0.00 1.55 1.59 0.00 0.00 0.00 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 1.47 0.00 5 C 8.95 4.72 0.00 2.75 2.76 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 6 H 8.89 5.50 0.00 3.03 3.27 0.00 5.64 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.65 4.85 1.87 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 1.16 0.84 0.91 0.00 0.00 8 A 8.54 4.83 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 9 T 8.33 4.03 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 1.20 0.00 0.00 10 G 8.82 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.49 4.19 0.00 1.64 1.61 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.33 4.39 0.00 4.04 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 13 V 8.37 3.53 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 1.04 0.00 0.00 0.93 0.00 0.00 14 A 7.95 4.01 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 15 R 8.00 3.89 0.00 1.97 2.06 0.00 3.15 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 16 K 8.34 3.97 0.00 1.98 1.84 0.00 1.71 0.00 0.00 1.81 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.67 7.81 17 Q 8.23 3.98 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 18 Q 8.16 3.93 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 19 L 8.11 3.92 0.00 1.79 1.84 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.94 3.68 2.03 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 1.41 0.56 0.92 0.00 0.00 21 R 8.23 3.88 0.00 1.96 2.11 0.00 3.09 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 22 D 8.37 4.35 0.00 2.89 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.19 3.57 2.22 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 1.02 0.00 0.00 0.96 0.00 0.00 24 I 7.88 3.69 2.04 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 1.42 0.65 0.92 0.00 0.00 25 D 8.20 4.32 0.00 2.83 2.82 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 0.00 0.00 0.00 0.00 26 V 8.17 3.68 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 0.90 0.00 0.00 0.93 0.00 0.00 27 T 8.06 3.84 4.38 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 1.22 0.00 0.00 28 N 8.35 4.56 0.00 2.78 3.03 0.00 0.00 6.76 5.69 0.00 0.00 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 K 7.93 4.03 0.00 1.78 1.86 0.00 2.10 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.52 7.81 30 S 8.11 4.37 0.00 4.03 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 31 I 7.60 4.28 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 1.40 0.75 0.91 0.00 0.00 32 G 8.28 3.90 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 0.00 0.00 0.00 33 S 7.74 4.20 0.00 3.91 3.82 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 0.00 0.00 0.00 0.00 34 D 8.71 4.42 0.00 2.75 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 35 P 0.00 4.24 0.00 2.22 2.12 0.00 3.65 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 36 K 8.59 4.22 0.00 1.85 2.08 0.00 1.56 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.38 7.81 37 I 7.91 4.40 1.88 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 1.32 0.87 0.92 0.00 0.00 38 I 7.52 4.64 2.00 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 1.25 0.79 0.94 0.00 0.00 39 N 9.21 5.21 0.00 2.79 2.75 0.00 0.00 5.99 7.24 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 40 V 8.49 5.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.95 0.00 0.00 41 L 9.05 4.82 0.00 2.04 1.52 0.98 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.68 5.10 0.00 1.64 1.53 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.94 4.47 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 0.74 0.00 0.00 0.90 0.00 0.00 44 E 8.71 5.22 0.00 1.80 1.85 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 2.19 2.27 0.00 45 H 8.89 5.06 0.00 3.05 3.12 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.64 4.38 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.89 3.84 0.00 1.73 1.55 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 2.33 2.15 0.00 48 A 7.93 4.16 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.97 4.73 0.00 2.89 2.85 0.00 0.00 6.75 7.28 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 50 M 7.87 4.69 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.34 0.00 51 S 8.51 4.64 0.00 3.76 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 52 I 8.26 4.38 1.87 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 1.40 1.01 0.91 0.00 0.00 53 S 9.48 3.69 0.00 3.99 3.93 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 54 G 8.30 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 0.00 0.00 0.00 55 R 7.85 4.32 0.00 1.95 1.87 0.00 3.14 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 56 I 8.03 4.36 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 1.30 0.84 0.92 0.00 0.00 57 H 9.10 4.27 0.00 3.05 3.24 0.00 5.95 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00