NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.2929 8.3449 121.7110 55.0659 29.4631 176.5288 2 P 4.2742 0.0000 0.0000 63.2416 31.7622 174.4685 3 D 4.8369 9.1445 124.5932 56.4341 43.8279 176.5566 4 A 3.5933 8.5383 131.7255 52.6633 14.5543 178.5181 5 I 4.0210 7.4555 121.1369 62.7388 38.8108 177.2482 6 N 4.6420 7.8944 119.9238 51.4873 36.2428 174.4342 7 A 4.6287 7.2878 120.9628 49.9395 21.7218 175.3165 8 P 4.2211 0.0000 0.0000 62.7344 30.4876 176.8198 9 V 3.8378 8.0239 124.8621 60.3805 30.8414 176.2787 10 T 3.8188 8.3166 122.7531 64.1080 68.0361 174.3688 11 C 5.0040 8.2682 123.1286 55.3371 44.2632 172.6448 12 C 4.7684 8.2084 116.8206 55.7251 43.1797 172.9538 13 Y 4.7538 7.9386 113.0182 59.3600 41.4118 174.5306 14 N 4.8157 7.4141 114.2666 51.4042 41.9819 173.1456 15 F 5.5807 8.2388 116.0747 56.9975 42.5057 173.2200 16 T 3.9480 9.0284 121.3437 62.8839 66.3826 172.1795 17 N 5.0570 8.7383 125.1160 53.4324 39.2741 174.5684 18 R 4.1157 6.9714 116.8109 54.4463 31.2327 175.8531 19 K 2.4800 7.8626 123.8469 56.2363 30.9231 174.8951 20 I 3.6674 5.4200 125.4103 59.8216 37.8017 176.2338 21 S 4.0406 8.6810 119.9668 58.6063 62.4963 175.4491 22 V 3.7210 8.6089 126.7964 64.4618 31.2863 178.4242 23 Q 4.0257 8.0611 118.1079 59.2227 28.8656 177.8010 24 R 3.9207 8.0306 118.2111 58.3954 30.1890 176.1387 25 L 4.4739 7.2306 115.9522 54.4050 40.3424 176.4496 26 A 4.2585 8.6813 126.9398 54.1995 19.3850 176.3708 27 S 4.6610 7.8693 108.4648 58.7244 66.2959 174.3207 28 Y 5.1046 8.6728 122.2907 56.8288 41.0270 175.0939 29 R 4.0229 8.2612 127.5987 52.9912 30.0733 173.2480 30 R 3.8111 6.7689 119.0723 56.7724 30.5531 175.8835 31 I 4.1441 8.5398 127.4570 60.4552 38.9080 175.9391 32 T 4.6180 7.6611 117.4508 62.2492 70.2410 173.2223 33 S 4.2162 7.4343 116.2093 59.3068 63.1018 174.4285 34 S 4.2548 8.5608 119.6651 59.9965 62.3026 174.4735 35 K 4.3259 7.6875 119.2896 57.1897 32.3933 175.5372 36 C 4.5880 7.9096 117.8838 56.1146 40.6742 172.9983 37 P 3.8480 0.0000 0.0000 65.0109 31.2705 176.5956 38 K 4.6215 7.3527 117.1136 54.8796 36.1973 175.6210 39 E 4.4102 8.6243 122.2103 56.4228 31.0701 174.8724 40 A 4.2439 7.7374 121.1458 51.9365 23.9103 175.0058 41 V 4.3181 7.8939 117.6730 61.1467 34.0700 175.8870 42 I 4.4271 7.5263 129.7477 60.1124 35.8191 175.0709 43 F 5.3810 8.6818 122.6964 57.6356 38.3850 173.6244 44 K 4.1630 9.1643 122.0261 56.4967 32.0837 177.7915 45 T 5.2883 8.5670 117.6059 61.1027 68.6707 173.9370 46 I 4.0718 8.4336 111.6740 63.1183 38.4936 177.1434 47 V 4.0423 7.8314 118.5274 61.2026 31.2972 175.8852 48 A 3.7387 7.6428 119.3408 53.3606 16.3848 179.6712 49 K 4.3222 7.7530 121.6814 56.1435 30.4933 174.1218 50 E 4.0076 8.5013 121.1768 56.8170 30.6196 176.3739 51 I 4.4651 8.3580 126.4905 59.3846 39.4126 174.8897 52 C 5.4711 9.1784 125.4821 56.7512 35.4295 172.8248 53 A 5.3777 8.4821 124.8224 49.7115 22.6055 174.5851 54 D 3.9803 8.8172 121.0783 53.3765 41.3106 175.4007 55 P 4.1549 0.0000 0.0000 65.0446 31.4322 176.9562 56 K 4.2743 7.9041 117.5077 56.6214 31.0660 177.0125 57 Q 4.4200 7.6604 120.0178 55.1094 31.1218 176.0058 58 K 4.2106 8.4790 121.0296 57.3074 32.8263 177.5083 59 W 4.6295 8.0223 115.8721 58.3941 28.9539 178.1789 60 V 2.8810 6.5334 118.1204 64.9054 30.7179 177.7461 61 Q 3.9096 7.1207 117.6313 58.4203 28.7207 177.8336 62 D 4.4844 7.7986 119.4787 57.2396 41.3779 178.4021 63 S 4.0754 7.9407 115.4183 62.0501 62.9234 176.4609 64 M 3.8490 8.0430 120.5214 58.6300 31.5311 178.1552 65 D 4.2705 7.5096 118.5141 57.3452 41.4400 177.9932 66 H 4.3611 7.9754 115.6886 58.5954 28.3889 177.7285 67 L 4.1514 7.3834 121.3312 57.4271 41.4075 178.2356 68 D 4.7026 7.8456 116.7125 55.6181 41.2768 176.1621 69 K 4.7239 7.8968 118.2998 57.4409 32.9532 176.6885 70 Q 4.5664 8.0590 116.4333 56.9161 29.5049 176.5859 71 T 4.0039 7.5479 108.8690 62.4170 68.8706 174.8247 72 Q 4.3440 8.2282 119.7103 54.3105 30.8405 175.7348 73 T 4.2821 8.2229 118.7783 61.5594 68.6898 173.1765 74 P 4.5213 0.0000 0.0000 62.4547 32.0406 175.2303 75 K 4.7654 8.1431 117.3196 55.2388 36.1088 176.8941 76 T 4.2024 8.2584 109.1188 62.0002 68.8530 173.8213 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 Q 8.34 4.29 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.87 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 2 P 0.00 4.27 0.00 2.16 2.02 0.00 3.83 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 3 D 9.14 4.84 0.00 2.65 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.54 3.59 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.46 4.02 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 1.47 0.87 0.91 0.00 0.00 6 N 7.89 4.64 0.00 2.82 2.86 0.00 0.00 5.87 7.26 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 7 A 7.29 4.63 1.23 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 0.00 0.00 0.00 8 P 0.00 4.22 0.00 2.18 2.12 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 9 V 8.02 3.84 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 0.84 0.00 0.00 0.90 0.00 0.00 10 T 8.32 3.82 4.19 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 0.00 0.00 1.15 0.00 0.00 11 C 8.27 5.00 0.00 2.74 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 12 C 8.21 4.77 0.00 2.84 2.75 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 0.00 0.00 0.00 13 Y 7.94 4.75 0.00 2.84 2.74 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 14 N 7.41 4.82 0.00 2.56 2.66 0.00 0.00 6.69 7.46 0.00 0.00 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 F 8.24 5.58 0.00 3.17 3.10 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 0.00 16 T 9.03 3.95 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 17 N 8.74 5.06 0.00 2.88 2.88 0.00 0.00 7.24 7.72 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 18 R 6.97 4.12 0.00 1.86 1.59 0.00 3.18 0.00 0.00 3.07 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.48 0.00 19 K 7.86 2.48 0.00 1.43 1.54 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.16 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.47 7.81 20 I 5.42 3.67 1.79 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.48 0.93 0.00 0.00 21 S 8.68 4.04 0.00 3.79 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 22 V 8.61 3.72 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 0.67 0.00 0.00 0.34 0.00 0.00 23 Q 8.06 4.03 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.12 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 24 R 8.03 3.92 0.00 1.98 2.04 0.00 3.28 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 25 L 7.23 4.47 0.00 1.86 1.67 0.12 0.76 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 26 A 8.68 4.26 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.87 4.66 0.00 3.93 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 28 Y 8.67 5.10 0.00 3.22 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 29 R 8.26 4.02 0.00 1.65 1.64 0.00 3.18 0.00 0.00 3.03 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.45 0.00 30 R 6.77 3.81 0.00 1.72 1.82 0.00 3.38 0.00 0.00 3.27 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.83 0.00 31 I 8.54 4.14 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.50 0.89 0.00 0.00 32 T 7.66 4.62 4.21 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 1.26 0.00 0.00 33 S 7.43 4.22 0.00 3.85 3.75 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 0.00 0.00 0.00 34 S 8.56 4.25 0.00 3.86 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 35 K 7.69 4.33 0.00 1.78 1.80 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.39 7.81 36 C 7.91 4.59 0.00 3.18 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 37 P 0.00 3.85 0.00 2.26 2.24 0.00 3.80 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 38 K 7.35 4.62 0.00 1.77 1.94 0.00 1.67 0.00 0.00 1.82 0.00 0.00 3.23 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.54 1.53 7.81 39 E 8.62 4.41 0.00 1.79 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 2.29 2.30 0.00 40 A 7.74 4.24 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.89 4.32 1.72 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 -0.83 0.00 0.00 0.81 0.00 0.00 42 I 7.53 4.43 1.91 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.58 0.90 0.00 0.00 43 F 8.68 5.38 0.00 3.37 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.16 4.16 0.00 1.81 1.87 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.42 7.81 45 T 8.57 5.29 4.32 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 1.36 0.00 0.00 46 I 8.43 4.07 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.11 0.99 0.00 0.00 47 V 7.83 4.04 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 0.86 0.00 0.00 0.94 0.00 0.00 48 A 7.64 3.74 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.75 4.32 0.00 1.85 1.81 0.00 1.85 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.45 7.81 50 E 8.50 4.01 0.00 1.91 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 2.34 2.40 0.00 51 I 8.36 4.47 2.19 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.23 1.06 0.00 0.00 52 C 9.18 5.47 0.00 2.88 3.25 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 53 A 8.48 5.38 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.82 3.98 0.00 2.44 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.15 0.00 2.09 2.03 0.00 3.48 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.84 0.00 56 K 7.90 4.27 0.00 1.98 1.80 0.00 1.53 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.42 7.81 57 Q 7.66 4.42 0.00 2.16 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.93 0.00 0.00 0.00 0.00 0.00 2.43 2.79 0.00 58 K 8.48 4.21 0.00 1.78 1.91 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.21 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.54 7.81 59 W 8.02 4.63 0.00 3.70 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 6.53 2.88 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 -0.63 0.00 0.00 61 Q 7.12 3.91 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.64 0.00 0.00 0.00 0.00 0.00 2.30 2.52 0.00 62 D 7.80 4.48 0.00 2.72 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 63 S 7.94 4.08 0.00 3.36 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 64 M 8.04 3.85 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.99 0.00 65 D 7.51 4.27 0.00 2.92 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 H 7.98 4.36 0.00 3.35 3.56 0.00 5.26 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.38 4.15 0.00 1.76 1.98 1.22 1.24 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 68 D 7.85 4.70 0.00 2.83 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.90 4.72 0.00 1.87 1.80 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.55 7.81 70 Q 8.06 4.57 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.98 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 71 T 7.55 4.00 4.27 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 1.25 0.00 0.00 72 Q 8.23 4.34 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 73 T 8.22 4.28 4.25 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 1.22 0.00 0.00 74 P 0.00 4.52 0.00 2.04 2.03 0.00 3.63 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 75 K 8.14 4.77 0.00 1.68 1.65 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.35 7.81 76 T 8.26 4.20 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