NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4322 8.1633 120.3488 55.1666 34.2988 177.0717 2 K 4.7902 8.0174 119.3371 57.7623 31.7704 176.5139 3 L 3.9663 8.4831 122.8481 58.0208 42.1204 178.3401 4 S 4.1070 8.1114 114.4196 62.5432 62.8605 175.9558 5 E 3.9936 8.2734 120.7231 59.3063 29.2471 179.0748 6 V 4.4380 8.4473 119.6811 65.9715 31.7435 177.9074 7 R 3.8266 8.3175 118.3990 59.7956 29.8069 178.2260 8 K 3.7773 7.9375 117.5850 59.9177 32.1824 179.2969 9 Q 4.7715 7.8847 118.6631 57.8251 28.5073 178.4855 10 L 4.1537 8.4238 120.4685 57.2131 42.0148 178.8706 11 E 4.0600 8.0789 116.5143 58.9601 29.6949 178.4144 12 E 4.1558 8.3142 119.5275 58.5536 29.6463 177.8860 13 A 4.1595 7.7246 119.1938 52.9123 18.0676 177.6361 14 R 4.6739 7.5371 116.6822 57.3429 30.4959 178.3942 15 K 4.2057 8.0873 118.7835 58.6030 33.0026 178.4064 16 L 4.5772 7.6652 114.8884 53.9897 43.3529 181.4055 17 S 3.9557 8.3947 110.9252 58.0720 64.4163 171.6585 18 P 4.9842 0.0000 0.0000 65.5516 31.8681 178.7930 19 V 3.7131 8.4069 118.7113 65.9642 31.4234 177.6858 20 E 3.9291 8.1392 117.8632 60.3227 29.2824 178.2010 21 L 3.6185 9.4269 117.1207 59.4609 42.0222 178.5935 22 E 3.8498 8.7085 117.6363 59.7551 29.8770 179.2880 23 K 3.8862 8.3018 118.4673 59.5868 32.0654 178.8453 24 L 3.9504 8.9871 120.9373 58.5532 42.0899 179.0477 25 V 3.5511 8.6412 118.6222 65.8334 31.3854 177.8020 26 R 3.8807 8.5424 117.7766 59.6512 30.0469 178.4540 27 E 3.9088 8.1569 117.7199 59.8025 29.4965 179.7767 28 K 3.9243 8.3005 118.1221 59.3411 31.9717 179.6899 29 K 3.9454 8.5743 119.2270 59.2836 31.8992 179.1853 30 R 3.8129 8.3475 119.3244 59.6772 30.0595 178.2056 31 E 3.6997 8.3750 118.4880 59.3547 29.4861 179.2968 32 L 3.9090 8.0329 120.2688 58.3200 42.2148 178.4299 33 M 4.0216 8.2559 118.3786 58.9797 32.0678 177.5861 34 E 3.9142 8.9829 120.2025 60.0960 29.5867 177.5674 35 L 4.2131 8.1876 121.3747 56.9959 41.9297 178.5134 36 R 4.1893 8.4252 116.7971 59.2698 28.6315 178.7533 37 F 3.8358 8.7427 121.9172 61.4066 39.5737 176.8145 38 Q 4.3206 8.0773 116.4051 57.7068 28.5904 177.9895 39 A 4.1606 8.3038 121.9665 54.6337 18.3991 179.3372 40 S 4.2598 8.1632 113.1158 61.2260 63.4852 176.3692 41 I 3.8378 7.0441 115.7014 62.5460 37.0445 176.4341 42 G 4.3101 7.9620 117.1937 45.9483 0.0000 175.0135 43 Q 4.2532 7.3828 119.6505 54.2881 28.3728 176.7108 44 L 4.4275 7.1899 110.6594 54.7376 44.4876 174.7795 45 S 4.5856 8.0134 113.3283 56.5211 64.0993 173.4706 46 Q 4.4236 7.9714 124.4749 54.6353 29.6196 176.0275 47 N 3.5102 7.7303 117.6934 54.5972 40.8997 175.9670 48 H 4.0404 8.7376 113.5389 59.2089 29.0255 177.3341 49 K 3.9068 7.1460 120.4158 59.9458 31.8535 177.9220 50 I 3.5771 7.8001 118.7656 65.2870 36.8443 177.9948 51 R 4.1124 7.9388 117.5855 59.0948 29.2803 178.4535 52 D 4.4120 7.6479 119.6469 56.8148 41.1927 178.3234 53 L 3.9376 8.4361 121.1272 58.4995 42.1157 178.3901 54 K 3.8260 8.5290 118.4238 60.1987 31.7218 179.1727 55 R 3.9850 8.1494 118.3876 59.0505 30.2241 179.1844 56 Q 3.9827 8.2681 120.0470 59.1977 29.1331 177.8545 57 I 3.6670 8.1239 121.0103 65.2287 37.0417 177.2885 58 A 3.7372 8.3432 118.1124 55.6266 17.8988 179.3587 59 R 3.8898 7.5391 111.1799 59.3484 29.8975 178.4992 60 L 3.8238 7.7771 118.8098 57.9084 41.6078 179.0552 61 L 3.8917 8.8993 119.5720 59.5574 41.8810 179.0589 62 T 3.6507 9.6273 113.1918 67.3082 68.3887 175.9426 63 V 3.6415 8.7316 119.7273 66.6459 31.5176 178.7367 64 L 4.2461 8.0882 117.3203 56.5482 41.1529 177.9997 65 N 5.0213 8.2881 115.5444 53.1639 39.1905 175.3657 66 E 4.5464 7.6152 121.4283 57.4528 31.4996 178.2887 67 K 3.9247 8.6628 118.7592 59.3604 32.3164 178.9874 68 R 3.9189 7.5242 118.4353 60.0261 29.7545 178.8485 69 R 4.0070 7.8570 115.5347 59.0474 30.1834 178.5729 70 Q 4.1654 7.7153 117.1554 58.8606 28.9888 177.8975 71 N 4.5112 8.9842 116.5853 54.7530 38.6481 175.0834 72 A 4.3307 7.7056 127.6187 52.1007 19.3171 175.8502 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 8.16 4.43 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 2 K 8.02 4.79 0.00 1.96 1.87 0.00 1.89 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.54 1.72 7.81 3 L 8.48 3.97 0.00 1.70 1.61 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.11 4.11 0.00 3.90 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 5 E 8.27 3.99 0.00 2.20 1.91 0.00 0.00 0.00 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 2.58 0.00 6 V 8.45 4.44 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 1.16 0.00 0.00 1.06 0.00 0.00 7 R 8.32 3.83 0.00 2.04 1.87 0.00 3.22 0.00 0.00 3.17 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 8 K 7.94 3.78 0.00 1.87 1.87 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.62 7.81 9 Q 7.88 4.77 0.00 2.36 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 10 L 8.42 4.15 0.00 1.70 1.69 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.08 4.06 0.00 1.91 2.02 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 2.31 2.42 0.00 12 E 8.31 4.16 0.00 2.15 2.06 0.00 0.00 0.00 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 2.32 0.00 13 A 7.72 4.16 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.54 4.67 0.00 1.98 1.94 0.00 3.31 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 15 K 8.09 4.21 0.00 1.74 1.85 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.57 1.40 7.81 16 L 7.67 4.58 0.00 1.68 1.60 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.39 3.96 0.00 3.93 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.98 0.00 2.30 2.29 0.00 3.85 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 19 V 8.41 3.71 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 1.09 0.00 0.00 0.96 0.00 0.00 20 E 8.14 3.93 0.00 2.30 1.99 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 2.42 2.48 0.00 21 L 9.43 3.62 0.00 1.92 1.79 0.99 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.71 3.85 0.00 2.06 1.99 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 2.33 2.36 0.00 23 K 8.30 3.89 0.00 1.99 1.82 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.66 7.81 24 L 8.99 3.95 0.00 1.81 1.67 0.92 0.26 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 25 V 8.64 3.55 2.28 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 0.97 0.00 0.00 0.94 0.00 0.00 26 R 8.54 3.88 0.00 2.03 1.99 0.00 3.28 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 27 E 8.16 3.91 0.00 2.20 2.00 0.00 0.00 0.00 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 2.60 0.00 28 K 8.30 3.92 0.00 1.88 1.86 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.63 1.63 7.81 29 K 8.57 3.95 0.00 1.83 1.85 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.59 7.81 30 R 8.35 3.81 0.00 1.79 2.09 0.00 3.07 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 31 E 8.37 3.70 0.00 2.19 1.99 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 2.32 2.55 0.00 32 L 8.03 3.91 0.00 1.91 1.83 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 33 M 8.26 4.02 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.64 0.00 34 E 8.98 3.91 0.00 2.03 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 0.00 2.29 2.38 0.00 35 L 8.19 4.21 0.00 2.09 1.70 0.91 0.63 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 36 R 8.43 4.19 0.00 2.13 2.23 0.00 2.88 0.00 0.00 3.13 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.75 0.00 37 F 8.74 3.84 0.00 3.30 3.19 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 0.00 38 Q 8.08 4.32 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 39 A 8.30 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 40 S 8.16 4.26 0.00 3.94 3.96 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 41 I 7.04 3.84 1.86 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 1.70 0.60 0.93 0.00 0.00 42 G 7.96 4.31 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 0.00 43 Q 7.38 4.25 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.43 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 44 L 7.19 4.43 0.00 1.74 1.61 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.01 4.59 0.00 3.97 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.97 4.42 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.26 0.00 47 N 7.73 3.51 0.00 2.75 2.61 0.00 0.00 6.84 7.89 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 48 H 8.74 4.04 0.00 3.39 3.58 0.00 5.55 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 49 K 7.15 3.91 0.00 1.90 1.84 0.00 1.17 0.00 0.00 1.85 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.45 7.81 50 I 7.80 3.58 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 1.58 0.45 0.91 0.00 0.00 51 R 7.94 4.11 0.00 2.04 2.21 0.00 2.97 0.00 0.00 3.35 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.75 0.00 52 D 7.65 4.41 0.00 2.90 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 53 L 8.44 3.94 0.00 1.81 1.66 0.92 0.69 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 54 K 8.53 3.83 0.00 1.80 1.80 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.51 7.81 55 R 8.15 3.99 0.00 1.93 2.00 0.00 3.34 0.00 0.00 3.10 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 56 Q 8.27 3.98 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 57 I 8.12 3.67 2.06 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 1.62 0.78 0.91 0.00 0.00 58 A 8.34 3.74 1.33 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 0.00 0.00 59 R 7.54 3.89 0.00 2.09 2.24 0.00 2.82 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 1.93 1.78 0.00 60 L 7.78 3.82 0.00 2.01 1.74 0.95 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.90 3.89 0.00 1.82 1.81 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 62 T 9.63 3.65 4.31 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 1.25 0.00 0.00 63 V 8.73 3.64 2.17 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 1.03 0.00 0.00 0.97 0.00 0.00 64 L 8.09 4.25 0.00 1.98 1.70 0.96 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 65 N 8.29 5.02 0.00 2.84 2.82 0.00 0.00 6.77 7.64 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 66 E 7.62 4.55 0.00 2.09 1.93 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 2.21 2.55 0.00 67 K 8.66 3.92 0.00 1.72 1.85 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.63 1.59 7.81 68 R 7.52 3.92 0.00 1.82 2.02 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 1.70 0.00 69 R 7.86 4.01 0.00 1.82 1.97 0.00 3.36 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 70 Q 7.72 4.17 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.99 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 71 N 8.98 4.51 0.00 2.62 2.88 0.00 0.00 6.83 7.23 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 72 A 7.71 4.33 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00