NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 D 4.5927 8.2233 120.5283 53.3613 43.1216 177.2702 16 P 3.9586 0.0000 0.0000 65.2723 32.3243 176.6407 17 L 3.9646 8.0133 119.2157 58.7398 42.7442 178.8980 18 T 3.9198 7.2483 106.9565 64.9614 68.6078 176.0111 19 T 4.1060 7.5902 118.1370 66.3189 68.8391 176.8349 20 V 3.5824 7.8153 119.6016 66.3523 31.1264 177.5842 21 R 3.8925 7.5727 115.7675 59.6307 30.3524 178.1332 22 E 4.7675 8.1884 118.5063 59.1622 29.3467 179.1519 23 Q 3.9650 7.8375 117.0416 59.6053 28.4536 178.8993 24 C 4.2512 8.2301 117.2457 60.2380 35.4444 175.7007 25 E 4.3478 8.0383 115.7249 57.0741 29.1526 177.2784 26 Q 4.4183 8.8358 120.4883 55.5855 29.8697 175.0546 27 L 4.4455 7.2076 119.5461 54.3918 43.0970 177.6168 28 E 3.9442 8.8202 121.8008 59.6576 29.8825 179.5480 29 K 4.2596 8.0036 116.5980 58.2062 33.1753 178.8741 30 C 4.2926 9.8414 117.4133 62.6200 28.4720 175.9945 31 V 3.6498 7.9991 117.5546 65.8888 31.2433 176.9582 32 K 4.0322 8.1163 119.5083 58.9347 32.2596 177.1712 33 A 4.5446 7.7070 118.1187 52.3214 19.5311 178.3302 34 R 4.1347 7.9439 116.0954 58.4683 30.0634 178.0589 35 E 3.9662 8.1767 117.9815 59.3236 29.4524 178.7742 36 R 4.1425 7.6970 116.4395 58.1207 30.2155 178.9539 37 L 3.9846 7.6071 118.7870 57.7063 41.6899 178.5546 38 E 3.9131 7.9497 117.1065 60.4020 29.5440 178.8675 39 L 3.9440 8.1436 118.7316 56.1754 39.8624 178.7480 40 C 3.9841 7.9271 118.0437 60.2298 44.1256 176.2883 41 D 4.1709 8.3753 119.4267 56.5270 40.6179 177.0783 42 E 4.5867 9.3400 115.3980 56.3316 31.7141 177.2715 43 R 3.9356 7.3314 115.4817 56.5506 29.4926 175.8931 44 V 4.0235 7.3840 116.0938 61.3988 32.5986 177.3199 45 S 4.4647 8.2163 121.1938 58.1112 63.5623 173.1350 46 S 4.2607 8.7370 111.9653 61.6530 63.3752 176.0966 47 R 3.4429 8.0669 120.6175 56.9119 30.2921 175.7370 48 S 3.6000 7.4775 109.9167 59.0426 60.3382 173.3947 49 Q 4.2136 7.7275 120.2864 56.5318 27.6397 178.1509 50 T 3.8581 8.1708 120.4270 66.6215 68.9268 175.8794 51 E 4.1605 8.0513 118.8522 58.3146 29.5157 177.3268 52 E 4.1596 10.3297 117.2873 57.6216 29.7814 176.1021 53 D 4.1570 7.8096 117.9100 53.2894 41.1976 175.4733 54 C 4.7383 8.9406 125.3118 57.4779 44.3891 174.8591 55 T 3.9108 8.9452 117.1668 68.0249 67.9104 175.6810 56 E 3.6399 8.0571 118.5428 59.7206 29.4812 178.4745 57 E 3.9968 8.2470 117.8042 59.4912 29.6561 179.4059 58 L 4.0172 7.6186 119.8064 58.1338 42.1867 178.6312 59 L 4.0034 8.1000 119.1762 58.2601 41.4997 178.9388 60 D 4.4260 7.8498 118.0394 57.8963 40.8076 178.6210 61 F 4.0928 7.9978 119.5736 61.6951 39.2930 176.8759 62 L 3.7954 8.5034 118.3461 58.3281 41.5273 178.9784 63 H 3.9081 8.5734 117.8086 59.5116 29.6837 177.0592 64 A 3.9830 7.7956 122.4317 54.8228 18.1188 179.5398 65 R 3.6798 7.8285 115.0575 59.6954 29.2961 178.8950 66 D 4.2083 8.0331 120.3348 57.0091 40.5993 177.6407 67 H 3.8770 7.9088 117.0768 59.9617 30.0736 175.4662 68 C 3.9792 7.9752 117.8660 60.5431 41.6992 175.9530 69 V 3.3153 8.1061 118.1691 66.0431 31.3236 177.6840 70 A 4.1979 8.1464 120.0311 55.9282 18.1143 179.4872 71 H 4.3573 7.4639 112.4524 58.8319 29.1052 177.8125 72 K 4.2582 7.9971 119.9157 58.8400 32.1297 179.1112 73 L 4.0463 8.9606 121.3769 58.8471 40.0798 179.4730 74 F 3.2981 7.9882 117.5337 59.9965 38.6377 176.4111 75 N 4.6127 8.0999 114.1882 55.0510 38.9401 175.9807 76 S 4.4793 7.6175 114.6688 60.0470 63.7746 173.6378 77 L 4.4427 7.2116 121.4710 53.0420 43.6905 176.5101 78 K 4.1062 8.2367 119.5699 56.9963 32.3400 175.8438 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 15 D 8.22 4.59 0.00 2.71 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.96 0.00 2.13 2.05 0.00 3.85 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 17 L 8.01 3.96 0.00 1.73 1.66 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.25 3.92 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 19 T 7.59 4.11 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 20 V 7.82 3.58 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 1.07 0.00 0.00 0.99 0.00 0.00 21 R 7.57 3.89 0.00 1.98 2.03 0.00 3.27 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 22 E 8.19 4.77 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 23 Q 7.84 3.96 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.68 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 24 C 8.23 4.25 0.00 3.22 3.24 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 0.00 25 E 8.04 4.35 0.00 2.60 2.42 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 2.59 2.43 0.00 26 Q 8.84 4.42 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.46 6.83 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 27 L 7.21 4.45 0.00 1.77 1.56 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.82 3.94 0.00 2.00 2.05 0.00 0.00 0.00 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 2.34 0.00 29 K 8.00 4.26 0.00 1.80 1.86 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.41 7.81 30 C 9.84 4.29 0.00 3.22 3.21 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 0.00 31 V 8.00 3.65 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 0.78 0.00 0.00 0.96 0.00 0.00 32 K 8.12 4.03 0.00 1.99 1.86 0.00 1.85 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.40 7.81 33 A 7.71 4.54 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 34 R 7.94 4.13 0.00 2.16 2.06 0.00 2.78 0.00 0.00 3.08 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 35 E 8.18 3.97 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 2.40 2.56 0.00 36 R 7.70 4.14 0.00 1.93 1.98 0.00 3.15 0.00 0.00 3.19 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 37 L 7.61 3.98 0.00 1.74 1.57 0.57 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 38 E 7.95 3.91 0.00 1.90 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 2.52 2.48 0.00 39 L 8.14 3.94 0.00 1.67 1.56 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 40 C 7.93 3.98 0.00 3.13 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.38 4.17 0.00 2.80 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 42 E 9.34 4.59 0.00 1.91 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 0.00 2.54 2.21 0.00 43 R 7.33 3.94 0.00 1.83 1.95 0.00 3.25 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 44 V 7.38 4.02 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 0.78 0.00 0.00 0.98 0.00 0.00 45 S 8.22 4.46 0.00 3.87 3.80 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 46 S 8.74 4.26 0.00 4.04 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 47 R 8.07 3.44 0.00 1.77 2.02 0.00 3.43 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 48 S 7.48 3.60 0.00 3.94 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 7.73 4.21 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.07 6.42 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 50 T 8.17 3.86 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 51 E 8.05 4.16 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 2.32 2.39 0.00 52 E 10.33 4.16 0.00 2.04 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 2.44 2.39 0.00 53 D 7.81 4.16 0.00 2.78 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.94 4.74 0.00 3.00 3.02 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 0.00 0.00 0.00 55 T 8.95 3.91 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 1.23 0.00 0.00 56 E 8.06 3.64 0.00 2.04 1.87 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 2.40 2.47 0.00 57 E 8.25 4.00 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 58 L 7.62 4.02 0.00 1.78 1.92 1.02 0.58 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 59 L 8.10 4.00 0.00 1.89 1.76 0.94 1.35 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 60 D 7.85 4.43 0.00 2.83 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.00 4.09 0.00 3.15 3.31 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 62 L 8.50 3.80 0.00 2.06 1.75 0.97 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.57 3.91 0.00 3.23 3.40 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.80 3.98 1.24 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 0.00 0.00 0.00 65 R 7.83 3.68 0.00 1.69 1.36 0.00 2.76 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.50 0.00 66 D 8.03 4.21 0.00 2.66 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 67 H 7.91 3.88 0.00 2.99 3.27 0.00 5.99 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 C 7.98 3.98 0.00 3.01 3.24 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 0.00 69 V 8.11 3.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.93 0.00 0.00 70 A 8.15 4.20 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 71 H 7.46 4.36 0.00 3.17 3.35 0.00 5.65 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.00 4.26 0.00 1.81 1.86 0.00 1.67 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.51 7.81 73 L 8.96 4.05 0.00 1.76 2.11 0.94 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 74 F 7.99 3.30 0.00 3.56 3.28 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 75 N 8.10 4.61 0.00 2.78 2.85 0.00 0.00 7.20 7.63 0.00 0.00 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 S 7.62 4.48 0.00 3.80 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.21 4.44 0.00 1.26 1.45 0.73 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.24 4.11 0.00 1.63 1.59 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.36 7.81