NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 40 K 4.2661 8.3144 120.1329 56.3426 33.8184 174.8927 41 T 4.0717 7.8228 113.7164 58.9980 68.1404 172.9511 42 R 4.2602 9.1078 126.2634 55.7443 31.3489 175.3966 43 W 4.5857 8.7074 119.6613 56.3595 30.3422 177.0446 44 T 4.5887 8.5086 113.6178 60.3696 71.5380 176.1214 45 R 3.9897 8.3937 120.9833 59.5041 30.0754 178.1189 46 E 4.0018 8.2036 118.8129 59.2677 29.6760 178.5238 47 E 4.1157 8.3568 118.6914 59.5994 29.5607 179.0118 48 D 4.5367 8.4948 118.9982 57.3593 40.8902 178.5517 49 E 3.9941 8.5148 119.8297 59.2152 29.6152 178.9371 50 K 4.0032 8.3471 118.6647 59.3555 32.1380 178.8712 51 L 4.1107 8.5425 120.9463 58.3504 42.0615 179.2038 52 K 4.1830 8.3416 118.2459 59.6617 32.0186 179.5863 53 K 4.0819 8.2510 118.6922 59.2443 31.9583 179.5079 54 L 3.9076 8.2961 119.8494 57.7320 41.5267 179.7419 55 V 3.2452 7.7664 118.2787 65.7210 31.1755 177.7342 56 E 4.0148 8.0451 118.2447 59.2030 29.5292 178.3183 57 Q 4.1621 7.9061 117.0261 57.4917 29.1175 176.9146 58 N 4.7336 8.1099 115.1585 52.0619 40.3926 175.5147 59 G 3.6563 8.2447 108.1980 45.1312 0.0000 173.3439 60 T 3.3901 7.5884 105.9264 61.0118 68.8106 175.8664 61 D 4.2973 7.7239 122.8068 56.8356 41.1260 175.8625 62 D 4.4762 7.1302 116.8714 51.3457 42.2405 175.4626 63 W 4.1978 8.5388 126.6937 58.3769 29.3625 178.1580 64 K 4.1064 8.4271 119.2739 58.8939 31.2394 179.4807 65 V 3.6539 7.5391 117.9412 65.9371 31.8916 177.7999 66 I 3.9182 7.7236 118.8157 64.5774 37.1146 178.2171 67 A 4.1866 8.4544 121.5281 55.0552 17.9302 179.0065 68 N 4.1815 7.9886 114.5302 56.1011 38.8505 175.0380 69 Y 4.4787 7.5756 115.3942 57.4158 38.4201 175.9075 70 L 4.6553 7.8031 121.5998 51.4801 42.6331 173.4243 71 P 4.3122 0.0000 0.0000 64.2523 31.7428 176.5494 72 N 4.3305 8.9398 117.7653 53.5648 36.0290 173.8942 73 R 4.7641 7.7991 117.4547 54.4340 32.7160 176.4657 74 T 4.5039 8.8060 113.8205 60.1348 72.0529 175.7003 75 D 4.6532 8.5226 120.6856 56.9327 39.1382 178.8678 76 V 3.3608 7.7017 119.2337 65.6152 31.6230 177.8668 77 Q 4.0730 7.9972 117.3796 59.0927 28.5046 178.6162 78 C 4.4014 8.3835 117.9525 62.7486 28.2679 175.8501 79 Q 2.0000 7.4879 121.0099 58.8152 28.4802 177.9741 80 H 4.4163 7.8993 118.5992 58.3687 28.6467 177.8172 81 R 3.5100 7.8631 120.4348 58.8169 29.6655 178.2931 82 W 4.1538 8.1671 128.2440 60.7301 30.3201 177.9796 83 Q 3.6728 8.2059 117.8473 58.6843 27.7412 179.1214 84 K 3.9203 7.6057 119.1420 59.4390 31.9441 179.8420 85 V 3.5971 7.6070 111.3346 63.7636 31.4422 178.2169 86 L 4.2114 7.1481 118.1134 56.0047 42.1616 176.5107 87 N 4.5875 7.4591 116.1915 50.4342 39.4462 169.5914 88 P 4.1167 0.0000 0.0000 61.9067 31.5510 176.4051 89 E 4.0823 8.6734 120.2625 56.5584 29.3062 176.9739 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 40 K 8.31 4.27 0.00 1.74 1.91 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.51 7.81 41 T 7.82 4.07 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 42 R 9.11 4.26 0.00 2.03 1.96 0.00 3.11 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 43 W 8.71 4.59 0.00 3.30 3.26 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 0.00 44 T 8.51 4.59 4.29 0.00 0.00 0.00 0.00 0.00 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 45 R 8.39 3.99 0.00 1.99 2.01 0.00 3.26 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.79 0.00 46 E 8.20 4.00 0.00 2.11 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 2.43 2.45 0.00 47 E 8.36 4.12 0.00 2.55 2.34 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 2.30 2.35 0.00 48 D 8.49 4.54 0.00 2.97 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.51 3.99 0.00 2.27 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 0.00 2.35 2.44 0.00 50 K 8.35 4.00 0.00 2.13 1.95 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.74 7.81 51 L 8.54 4.11 0.00 2.12 2.10 1.27 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.34 4.18 0.00 2.09 1.96 0.00 1.76 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.61 1.76 7.81 53 K 8.25 4.08 0.00 1.80 1.85 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.18 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.67 1.64 7.81 54 L 8.30 3.91 0.00 1.90 1.67 1.10 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 55 V 7.77 3.25 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 0.29 0.00 0.00 0.44 0.00 0.00 56 E 8.05 4.01 0.00 2.18 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 2.34 2.39 0.00 57 Q 7.91 4.16 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.54 0.00 0.00 0.00 0.00 0.00 2.33 2.63 0.00 58 N 8.11 4.73 0.00 2.62 2.68 0.00 0.00 7.12 6.97 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 59 G 8.24 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 60 T 7.59 3.39 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 61 D 7.72 4.30 0.00 2.57 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 D 7.13 4.48 0.00 2.53 2.39 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 63 W 8.54 4.20 0.00 3.47 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.43 4.11 0.00 2.10 1.88 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.51 7.81 65 V 7.54 3.65 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.93 0.00 0.00 66 I 7.72 3.92 2.18 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.79 1.09 0.00 0.00 67 A 8.45 4.19 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 N 7.99 4.18 0.00 2.83 2.68 0.00 0.00 7.10 6.82 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 69 Y 7.58 4.48 0.00 3.11 3.01 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 70 L 7.80 4.66 0.00 1.77 1.57 1.24 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.31 0.00 1.98 1.97 0.00 3.75 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 72 N 8.94 4.33 0.00 2.77 2.87 0.00 0.00 6.85 7.66 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 73 R 7.80 4.76 0.00 1.93 1.91 0.00 2.89 0.00 0.00 2.95 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.17 0.00 74 T 8.81 4.50 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 1.26 0.00 0.00 75 D 8.52 4.65 0.00 3.08 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 76 V 7.70 3.36 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 0.89 0.00 0.00 0.88 0.00 0.00 77 Q 8.00 4.07 0.00 2.52 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 78 C 8.38 4.40 0.00 3.39 3.36 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 79 Q 7.49 2.00 0.00 0.93 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 1.98 1.61 0.00 80 H 7.90 4.42 0.00 3.17 3.24 0.00 5.68 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 R 7.86 3.51 0.00 1.07 1.18 0.00 2.51 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.82 0.00 82 W 8.17 4.15 0.00 3.65 3.42 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 83 Q 8.21 3.67 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.60 0.00 0.00 0.00 0.00 0.00 2.42 2.72 0.00 84 K 7.61 3.92 0.00 1.80 1.71 0.00 1.49 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.57 7.81 85 V 7.61 3.60 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 0.63 0.00 0.00 0.91 0.00 0.00 86 L 7.15 4.21 0.00 1.34 1.38 -0.57 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 87 N 7.46 4.59 0.00 2.47 2.55 0.00 0.00 7.21 7.37 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 88 P 0.00 4.12 0.00 2.03 2.01 0.00 3.68 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 1.99 2.05 0.00 89 E 8.67 4.08 0.00 2.03 1.89 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 0.00 2.23 2.28 0.00