NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.3620 8.2931 120.3249 56.5351 33.2816 174.7713 1 G 3.7444 9.0665 108.4191 46.0755 0.0000 171.6397 2 E 4.1196 8.9809 123.1153 58.2449 30.8266 175.8699 3 L 4.3738 8.3215 119.2450 52.9199 41.3603 175.0340 4 P 4.4862 0.0000 0.0000 62.6690 32.2449 177.5043 5 I 4.0797 8.3251 120.9094 64.1510 37.0039 178.5291 6 A 3.9901 7.9330 121.3417 54.7934 18.4242 177.7048 7 P 4.2033 0.0000 0.0000 65.7760 31.5283 178.8485 8 I 3.8399 7.3931 118.6811 64.3164 36.9308 178.7081 9 G 3.6579 7.9761 106.5754 47.7486 0.0000 176.0143 10 R 4.0165 7.7330 120.4425 58.9760 29.8659 179.0446 11 I 3.6886 7.6527 119.4170 64.5995 37.0077 178.5723 12 I 3.7744 7.6499 120.0584 64.2320 36.9707 178.6178 13 K 4.1436 8.4681 119.8355 59.6362 31.6662 179.0812 14 N 4.4606 8.4191 115.5772 55.4611 38.5568 176.5043 15 A 4.3381 7.4438 120.4950 51.8602 18.9433 177.3605 16 G 3.8722 7.5881 104.7381 44.9517 0.0000 174.3654 17 A 4.1567 7.6152 123.6742 51.7476 19.0855 177.9385 18 E 4.1182 8.8585 123.6756 58.6523 30.0959 177.1808 19 R 4.7451 7.5840 114.4094 54.2752 34.1583 174.5274 20 V 4.4269 8.0577 119.3565 60.9096 34.6779 175.4639 21 S 4.4687 8.4383 121.1611 57.8214 64.1642 174.9889 22 D 4.4975 8.7446 124.3587 58.0255 40.5356 179.4171 23 D 4.4302 8.1402 121.2537 58.0324 39.8457 182.7775 24 A 4.2931 7.8870 120.6571 55.0964 18.4572 179.9452 25 R 3.8855 7.8467 116.2811 59.4760 30.1312 179.3316 26 I 3.6813 7.8497 119.3971 64.2490 37.1768 178.3004 27 A 3.9724 8.0658 121.6347 55.1782 18.2069 179.4991 28 L 3.9344 8.1296 118.5914 57.9839 42.0698 178.7984 29 A 3.9900 8.1966 120.9747 55.1099 18.2606 179.7371 30 K 3.8683 8.0357 116.8761 59.5783 32.1724 179.6685 31 V 3.7110 7.5876 117.9132 66.1846 31.3820 178.1470 32 L 4.0328 8.0804 118.6459 57.6643 41.3847 179.3403 33 E 3.9455 8.5046 119.0452 59.2483 29.3799 179.1801 34 E 3.9280 8.3043 118.7511 59.6753 29.5187 179.3375 35 M 4.0062 8.1554 118.8655 58.1370 31.8956 179.0403 36 G 3.5366 8.2413 106.1473 47.7479 0.0000 175.3391 37 E 3.9096 8.2795 122.0166 58.9351 29.6747 178.7602 38 E 3.9334 8.1008 118.5460 59.4268 29.4773 179.4723 39 I 3.6921 7.5596 119.5067 64.4207 37.2220 178.4831 40 A 4.0295 8.2788 121.8680 55.1611 17.9895 179.9062 41 S 4.1204 8.4130 114.2373 61.6292 62.8919 176.4424 42 E 3.9747 8.2598 121.4910 59.2240 29.4244 178.6904 43 A 4.0462 8.2813 120.9530 55.0875 18.4103 179.7622 44 V 3.5618 7.9756 116.7960 66.1482 31.5312 178.4736 45 K 4.0316 7.8935 118.2321 59.3996 31.9169 179.3139 46 L 3.9790 8.1147 119.0804 57.7274 41.5327 179.4876 47 A 4.0218 8.1745 120.6730 55.1380 18.3052 179.8680 48 K 3.9405 8.1782 117.0637 59.8764 31.9029 179.0683 49 H 4.1140 8.4024 117.5003 58.7847 29.8184 176.2275 50 A 4.3697 7.6791 119.6858 51.7004 18.6982 177.7569 51 G 3.8279 8.0270 105.4462 45.8391 0.0000 173.7920 52 R 4.6999 7.8797 117.1361 54.1587 32.6297 176.3470 53 K 4.3371 8.4855 117.8949 56.9339 32.9772 176.7730 54 T 4.5540 7.5687 115.9048 61.5682 70.2124 173.9375 55 I 4.2397 8.2562 127.1794 60.6229 38.2966 175.4916 56 K 4.5984 9.1215 124.1877 54.0384 34.9847 177.0358 57 A 4.0271 8.6169 121.9976 55.6217 18.1096 179.8783 58 E 4.1708 8.0676 116.6431 58.9827 29.5988 179.1003 59 D 4.3654 8.0958 120.0758 57.3157 40.9112 178.6667 60 I 3.7546 7.6863 119.8484 64.4715 37.1083 178.2451 61 E 4.0142 8.5022 119.7434 59.1822 29.3657 179.2122 62 L 4.0492 8.1375 120.2971 58.0029 42.2264 178.6406 63 A 4.0789 8.1862 120.8476 55.4395 18.2877 179.6255 64 R 4.0822 8.3094 116.9616 59.4125 29.9207 178.6380 65 K 4.2234 7.8009 116.7780 58.6739 32.1658 178.4160 66 M 4.1153 7.8051 117.8004 56.4542 31.9274 176.2285 67 F 4.3825 7.9841 123.1055 57.4711 39.5680 175.0194 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 0 M 8.29 4.36 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 1 G 9.07 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 2 E 8.98 4.12 0.00 1.94 2.01 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 2.30 2.38 0.00 3 L 8.32 4.37 0.00 1.69 1.58 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.49 0.00 2.21 2.17 0.00 3.68 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 5 I 8.33 4.08 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 1.57 1.49 0.91 0.00 0.00 6 A 7.93 3.99 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 7 P 0.00 4.20 0.00 2.16 2.11 0.00 3.64 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 8 I 7.39 3.84 1.99 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 1.65 1.31 0.98 0.00 0.00 9 G 7.98 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 R 7.73 4.02 0.00 1.99 1.99 0.00 3.14 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 11 I 7.65 3.69 2.03 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 1.52 1.55 0.90 0.00 0.00 12 I 7.65 3.77 1.98 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 1.52 1.45 0.91 0.00 0.00 13 K 8.47 4.14 0.00 1.95 1.86 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.36 7.81 14 N 8.42 4.46 0.00 2.73 2.88 0.00 0.00 7.02 7.42 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 15 A 7.44 4.34 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.59 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 17 A 7.62 4.16 1.27 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 0.00 0.00 0.00 18 E 8.86 4.12 0.00 1.94 1.98 0.00 0.00 0.00 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 2.33 0.00 19 R 7.58 4.75 0.00 1.77 1.75 0.00 3.20 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 20 V 8.06 4.43 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 0.85 0.00 0.00 0.93 0.00 0.00 21 S 8.44 4.47 0.00 4.04 3.97 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 22 D 8.74 4.50 0.00 2.71 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 23 D 8.14 4.43 0.00 2.68 2.68 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 24 A 7.89 4.29 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 25 R 7.85 3.89 0.00 2.02 1.99 0.00 3.28 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 26 I 7.85 3.68 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 1.45 0.60 0.91 0.00 0.00 27 A 8.07 3.97 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 28 L 8.13 3.93 0.00 1.78 1.66 0.91 0.75 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 29 A 8.20 3.99 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 30 K 8.04 3.87 0.00 1.99 1.86 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.64 7.81 31 V 7.59 3.71 2.21 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 1.01 0.00 0.00 0.94 0.00 0.00 32 L 8.08 4.03 0.00 1.71 1.67 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.50 3.95 0.00 2.10 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 0.00 2.41 2.41 0.00 34 E 8.30 3.93 0.00 2.13 1.96 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 2.31 2.50 0.00 35 M 8.16 4.01 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.45 0.00 36 G 8.24 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.28 3.91 0.00 2.07 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 2.29 2.48 0.00 38 E 8.10 3.93 0.00 1.82 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 0.00 2.32 2.47 0.00 39 I 7.56 3.69 1.75 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.15 0.92 0.00 0.00 40 A 8.28 4.03 1.34 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 0.00 0.00 41 S 8.41 4.12 0.00 4.07 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 42 E 8.26 3.97 0.00 2.25 2.25 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 2.36 2.42 0.00 43 A 8.28 4.05 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.98 3.56 2.26 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 1.04 0.00 0.00 1.01 0.00 0.00 45 K 7.89 4.03 0.00 1.97 1.85 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.66 7.81 46 L 8.11 3.98 0.00 1.86 1.74 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.17 4.02 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 48 K 8.18 3.94 0.00 2.00 1.89 0.00 1.79 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.55 7.81 49 H 8.40 4.11 0.00 3.21 3.50 0.00 5.74 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 7.68 4.37 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 51 G 8.03 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 0.00 0.00 0.00 52 R 7.88 4.70 0.00 1.92 1.90 0.00 3.16 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 53 K 8.49 4.34 0.00 1.74 1.85 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.39 7.81 54 T 7.57 4.55 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 55 I 8.26 4.24 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 1.42 0.37 0.92 0.00 0.00 56 K 9.12 4.60 0.00 1.76 1.70 0.00 1.69 0.00 0.00 1.80 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.50 7.81 57 A 8.62 4.03 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 58 E 8.07 4.17 0.00 2.21 2.23 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 2.37 2.27 0.00 59 D 8.10 4.37 0.00 2.88 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 60 I 7.69 3.75 2.01 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 1.80 1.04 0.92 0.00 0.00 61 E 8.50 4.01 0.00 2.01 2.01 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 2.34 2.32 0.00 62 L 8.14 4.05 0.00 1.89 1.67 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.19 4.08 1.51 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 0.00 0.00 64 R 8.31 4.08 0.00 2.03 2.13 0.00 3.29 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 1.68 1.84 0.00 65 K 7.80 4.22 0.00 2.00 1.86 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.62 7.81 66 M 7.81 4.12 0.00 1.53 1.87 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.46 0.00 67 F 7.98 4.38 0.00 3.15 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