NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4392 8.1627 118.3253 55.3045 33.5547 173.3144 2 Q 4.7624 8.2144 120.5999 52.9342 31.0058 172.7309 3 I 4.5189 9.1501 119.8554 58.9661 42.1779 173.3550 4 F 5.3541 8.5153 121.3822 55.7941 41.5624 174.9379 5 V 4.8727 9.2014 123.4558 61.0903 34.0931 174.1506 6 K 5.1709 8.9825 127.9858 54.7475 34.6527 176.6801 7 T 4.9825 8.7185 114.7975 60.3622 69.8773 175.2030 8 L 4.2257 8.3685 120.1911 55.8669 41.8426 177.7421 9 T 4.3895 7.4073 108.0646 61.3391 68.8484 175.1577 10 G 4.0148 8.3779 108.9663 45.1140 0.0000 173.4591 11 K 4.4380 8.1855 122.4115 55.5486 33.7281 175.3193 12 T 5.2454 8.5468 123.6297 61.7178 71.1691 173.4079 13 I 4.8855 8.9338 119.0859 59.2584 41.3675 174.1192 14 T 5.1199 8.5558 113.1629 60.1182 70.9226 173.4674 15 L 4.8363 8.7109 123.6451 52.9062 45.9313 174.8742 16 E 4.8533 8.6671 123.0664 55.1792 30.6499 175.2877 17 V 4.7026 8.6938 119.4751 60.1639 36.6592 173.9890 18 E 4.7026 9.0684 120.0530 53.9433 32.4716 175.9441 19 P 4.1548 0.0000 0.0000 65.8903 31.5004 178.2170 20 S 4.4045 7.8810 109.4341 58.8272 63.7900 174.0775 21 D 4.5558 8.0141 123.5120 54.7805 41.2316 176.3697 22 T 4.6379 8.5089 114.3386 61.3036 71.0353 175.8173 23 I 3.6935 8.5437 123.6236 64.5566 37.1212 178.2280 24 E 3.9093 8.3276 120.0456 59.5384 29.4067 178.5119 25 N 4.2902 8.2291 116.2960 56.5540 38.6420 177.5569 26 V 3.5698 7.9407 119.3422 65.9265 31.5459 178.2177 27 K 4.3466 8.7738 119.8274 58.8632 31.8909 179.0783 28 A 3.9804 8.1268 121.0446 55.2336 18.2779 179.7994 29 K 3.9369 8.2686 116.9648 59.7140 32.0931 179.6815 30 I 3.7817 7.7958 120.1884 64.1550 36.9180 178.1354 31 Q 4.1683 8.2846 122.1004 58.6659 28.6423 177.9612 32 D 4.2777 7.9631 117.9484 57.1096 41.3434 177.8335 33 K 4.1269 7.9234 118.9991 58.7874 32.4990 177.7626 34 E 4.6065 8.7223 115.4466 55.2655 31.1008 177.2257 35 G 3.9381 8.3306 107.2618 45.1591 0.0000 173.7065 36 I 3.9370 7.3955 121.7592 60.0076 37.8623 173.7841 37 P 4.4378 0.0000 0.0000 61.8498 32.1642 175.5248 38 P 4.2735 0.0000 0.0000 65.8044 31.3627 178.1670 39 D 4.4965 8.0543 115.2361 55.2216 39.6860 176.5788 40 Q 5.1542 8.0683 117.9536 55.3909 29.5361 174.5900 41 Q 4.8796 7.9371 118.6651 54.4669 31.2060 174.8985 42 R 4.7139 8.8041 121.7380 54.4956 33.6685 174.4823 43 L 5.2157 8.5345 123.6634 53.4142 44.4138 175.5902 44 I 5.1598 8.6240 122.1650 59.7866 41.4004 174.2475 45 F 4.9754 9.1480 126.6207 57.3519 43.3331 173.7007 46 A 3.2294 8.6267 125.1246 53.1721 15.8832 178.4312 47 G 3.9195 8.4765 105.1707 46.9633 0.0000 174.2341 48 K 4.6395 7.7010 117.9984 54.4099 35.7055 175.0882 49 Q 4.6251 8.4632 121.6319 56.1149 29.6141 175.3031 50 L 4.3749 8.7940 126.5921 54.0300 43.3792 175.8642 51 E 4.6531 9.3195 121.5654 54.8575 31.4622 177.1318 52 D 4.3822 9.0298 123.2979 57.5307 41.0673 178.6203 53 G 3.8399 7.9631 104.7935 46.3200 0.0000 173.7744 54 R 4.3308 7.7403 119.6379 55.4850 31.5536 176.0228 55 T 4.9078 8.4314 110.7123 60.0968 70.8987 176.0752 56 L 4.1213 8.6220 122.5609 57.9940 41.9309 180.2554 57 S 4.1140 8.3222 113.3674 61.3079 63.0408 176.0273 58 D 4.1720 7.9472 120.1890 56.9781 40.5234 176.9746 59 Y 4.5959 7.2280 112.4370 56.9708 38.1756 174.8040 60 N 4.1734 8.1595 117.5276 54.4295 37.9767 174.0426 61 I 3.5822 7.7312 117.6520 60.5995 37.6187 175.6751 62 Q 4.7570 8.5811 125.4399 53.1097 31.7615 174.7601 63 K 4.1179 8.3715 117.5792 58.9232 32.6410 176.7030 64 E 3.6249 9.3287 120.7140 56.7946 27.9062 174.8683 65 S 4.5346 7.8246 115.7749 59.1865 64.2562 173.2112 66 T 5.1739 8.7147 118.9500 62.1199 70.1897 173.9293 67 L 5.0673 9.1238 126.6499 53.6528 44.7477 175.2542 68 H 5.3919 9.0668 118.2897 54.1880 31.8921 173.4993 69 L 5.1814 9.1074 123.0003 53.5129 44.9786 175.7517 70 V 4.7784 8.6960 118.3091 59.4785 35.9963 174.1392 71 L 5.1149 8.4104 123.8686 53.8625 43.9942 175.5837 72 R 4.2961 8.9361 125.1832 56.3967 33.1324 173.5923 73 L 4.1815 9.1641 127.1818 54.3541 41.5639 179.0453 74 R 3.4350 8.8375 123.8894 57.9531 29.8815 179.3168 75 G 3.7096 8.8305 114.2720 48.3500 0.0000 173.1085 76 G 3.7357 8.0255 113.8768 45.8531 0.0000 173.3828 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 4.44 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.67 0.00 2 Q 8.21 4.76 0.00 2.11 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.74 0.00 0.00 0.00 0.00 0.00 2.02 2.29 0.00 3 I 9.15 4.52 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.69 0.80 0.00 0.00 4 F 8.52 5.35 0.00 3.12 2.97 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 5 V 9.20 4.87 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 1.08 0.00 0.00 0.93 0.00 0.00 6 K 8.98 5.17 0.00 1.53 1.65 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.34 7.81 7 T 8.72 4.98 4.26 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 0.00 0.00 0.00 1.23 0.00 0.00 8 L 8.37 4.23 0.00 1.67 1.75 0.91 0.79 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 9 T 7.41 4.39 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 10 G 8.38 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 0.00 0.00 0.00 11 K 8.19 4.44 0.00 1.88 1.69 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.42 7.81 12 T 8.55 5.25 4.23 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 1.25 0.00 0.00 13 I 8.93 4.89 1.90 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 1.31 0.98 0.98 0.00 0.00 14 T 8.56 5.12 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 1.50 0.00 0.00 15 L 8.71 4.84 0.00 1.49 1.50 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.67 4.85 0.00 1.91 1.82 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 2.20 2.35 0.00 17 V 8.69 4.70 2.12 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 0.67 0.00 0.00 0.91 0.00 0.00 18 E 9.07 4.70 0.00 1.98 1.77 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 2.18 2.37 0.00 19 P 0.00 4.15 0.00 2.14 2.10 0.00 3.56 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 20 S 7.88 4.40 0.00 3.95 3.95 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 0.00 0.00 0.00 21 D 8.01 4.56 0.00 2.82 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.51 4.64 4.46 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 0.00 0.00 0.00 1.20 0.00 0.00 23 I 8.54 3.69 2.12 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.12 0.94 0.00 0.00 24 E 8.33 3.91 0.00 2.21 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 2.32 2.37 0.00 25 N 8.23 4.29 0.00 3.00 2.86 0.00 0.00 6.74 7.25 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 26 V 7.94 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 1.01 0.00 0.00 0.98 0.00 0.00 27 K 8.77 4.35 0.00 1.95 1.85 0.00 1.75 0.00 0.00 1.93 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.60 1.48 7.81 28 A 8.13 3.98 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 29 K 8.27 3.94 0.00 1.98 1.86 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.45 1.64 7.81 30 I 7.80 3.78 2.14 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 0.71 0.92 0.00 0.00 31 Q 8.28 4.17 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 32 D 7.96 4.28 0.00 2.70 2.85 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 0.00 0.00 0.00 33 K 7.92 4.13 0.00 1.95 1.81 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.48 7.81 34 E 8.72 4.61 0.00 2.02 1.94 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 2.24 2.43 0.00 35 G 8.33 3.94 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 0.00 0.00 0.00 36 I 7.40 3.94 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 1.10 0.92 0.00 0.00 37 P 0.00 4.44 0.00 2.18 1.97 0.00 3.75 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.27 0.00 2.17 2.12 0.00 3.60 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 39 D 8.05 4.50 0.00 2.77 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.07 5.15 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.86 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 41 Q 7.94 4.88 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.55 0.00 42 R 8.80 4.71 0.00 1.70 1.79 0.00 3.40 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 43 L 8.53 5.22 0.00 1.58 1.55 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.62 5.16 1.93 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 1.11 0.81 0.97 0.00 0.00 45 F 9.15 4.98 0.00 2.96 2.66 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 46 A 8.63 3.23 1.13 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 0.00 0.00 47 G 8.48 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 48 K 7.70 4.64 0.00 1.90 1.85 0.00 1.35 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.28 7.81 49 Q 8.46 4.63 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.95 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 50 L 8.79 4.37 0.00 1.44 1.40 0.70 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.32 4.65 0.00 2.03 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 2.31 2.37 0.00 52 D 9.03 4.38 0.00 2.76 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 53 G 7.96 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.74 4.33 0.00 1.97 1.40 0.00 3.13 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 55 T 8.43 4.91 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 56 L 8.62 4.12 0.00 1.86 1.69 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.32 4.11 0.00 3.97 4.09 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.95 4.17 0.00 2.53 2.36 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 59 Y 7.23 4.60 0.00 2.97 2.97 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 60 N 8.16 4.17 0.00 2.91 3.02 0.00 0.00 7.14 8.76 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 61 I 7.73 3.58 1.76 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.34 0.63 0.00 0.00 62 Q 8.58 4.76 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.97 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 63 K 8.37 4.12 0.00 1.81 1.80 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.48 7.81 64 E 9.33 3.62 0.00 2.19 2.36 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 2.40 2.22 0.00 65 S 7.82 4.53 0.00 3.82 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 66 T 8.71 5.17 4.37 0.00 0.00 0.00 0.00 0.00 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 67 L 9.12 5.07 0.00 1.57 1.71 0.86 0.70 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 68 H 9.07 5.39 0.00 3.15 3.23 0.00 5.75 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.11 5.18 0.00 1.69 1.49 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.70 4.78 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.94 0.00 0.00 71 L 8.41 5.11 0.00 1.63 1.55 0.93 0.82 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 72 R 8.94 4.30 0.00 1.84 1.71 0.00 3.14 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 73 L 9.16 4.18 0.00 1.71 1.41 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.84 3.43 0.00 1.91 1.41 0.00 3.21 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 75 G 8.83 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.03 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