NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3555 0.0000 0.0000 62.8365 33.7800 178.6551 2 I 2.9646 7.4018 119.5980 63.1287 37.1442 176.3468 3 S 4.1381 8.8782 114.7191 61.6374 62.4347 175.8831 4 Q 3.9729 7.9603 119.9601 59.4870 28.6116 178.0717 5 V 3.6123 7.7266 119.1551 66.3045 31.4539 177.5473 6 H 4.0811 8.7290 115.2922 59.3555 28.7458 177.0549 7 E 3.9722 8.4181 120.4658 59.4175 29.3449 179.5022 8 I 3.8141 8.1525 112.7217 64.0835 37.9809 178.0116 9 G 4.0237 8.2981 110.2149 47.0443 0.0000 175.5494 10 I 3.8612 7.8214 122.5541 63.5573 37.0443 178.5448 11 K 4.0552 8.1296 118.1933 58.2693 31.8234 177.9920 12 R 4.4335 9.0568 117.1886 56.1791 31.7931 176.4958 13 N 5.1458 6.7386 125.9717 54.5135 39.6346 174.5646 14 M 4.2226 7.7811 120.3527 54.8571 31.9951 175.6413 15 T 4.0950 8.5762 115.7119 61.9112 70.0952 173.3764 16 V 4.4440 8.4005 127.1401 61.8378 32.6145 175.1906 17 H 4.8456 8.7175 125.8145 53.9636 31.4265 172.3558 18 F 4.6473 8.9237 121.8257 57.0854 40.1829 175.7742 19 K 4.4654 9.1152 123.1256 55.2566 36.1029 175.5059 20 V 4.3011 8.6371 126.9086 62.2425 31.8492 175.5090 21 L 4.7596 8.3154 125.6390 55.3266 40.8541 175.8395 22 R 4.7147 7.6201 116.5946 55.5955 34.2637 174.9319 23 E 2.0000 7.3244 117.0071 53.4994 30.3678 174.5829 24 E 4.7342 6.9522 115.7015 56.5768 34.1977 174.9031 25 G 3.9419 8.2838 109.2940 44.5468 0.0000 170.7714 26 P 4.2777 0.0000 0.0000 63.8309 31.7051 178.1652 27 A 4.4921 6.7299 116.9698 50.3235 20.4867 176.6716 28 H 5.5582 8.2030 127.8189 55.2028 28.2366 172.7119 29 M 4.8532 7.3869 132.9239 56.0617 35.5792 176.7440 30 K 4.4504 8.2242 125.3224 56.2499 30.9162 174.2126 31 N 5.6045 8.4027 120.2262 51.2391 42.2999 172.8310 32 F 4.5058 9.3332 122.7063 56.1563 41.3223 175.3710 33 I 4.6735 8.3688 125.0465 60.6852 37.6977 174.3562 34 T 4.3780 8.9347 125.0018 62.4803 69.8758 174.1591 35 A 4.6341 8.9891 130.2401 51.4901 19.8603 175.7674 36 C 4.4697 8.4194 118.8486 56.4965 31.6647 173.3321 37 I 4.2833 8.1516 125.6892 60.4639 39.0731 174.9415 38 V 5.2539 7.9714 127.5297 59.6966 35.0339 177.6794 39 G 3.8391 8.8776 111.3470 47.1409 0.0000 174.1896 40 S 4.6628 9.1423 117.1043 57.7705 64.4615 173.3039 41 I 4.5428 7.7529 121.5548 59.2578 40.0198 174.9699 42 V 4.2671 7.9708 122.2052 63.0060 33.2617 176.4807 43 T 4.4978 8.5432 121.1125 62.8313 71.2300 173.7619 44 E 4.7844 8.4000 126.4272 56.5445 32.2986 175.5865 45 G 3.8554 8.3614 102.9515 46.2536 0.0000 173.3727 46 E 5.4073 8.6404 126.7017 55.1035 29.1749 175.4393 47 G 3.7926 8.4791 111.9349 45.1393 0.0000 169.5173 48 N 5.2699 8.4164 124.9229 57.3083 38.9736 173.6094 49 G 4.1608 8.3141 112.8783 43.3226 0.0000 173.0692 50 K 2.4800 7.9629 118.9104 58.4745 33.3783 178.2607 51 K 4.0559 7.5954 117.8498 56.9991 32.5902 178.1571 52 V 3.7993 7.5057 118.9869 65.2068 31.9201 178.0645 53 S 4.0331 7.3903 114.0781 61.0631 62.1592 176.7510 54 K 3.9426 7.8835 120.7828 59.3210 32.0914 179.0828 55 K 3.8944 7.8839 119.3884 59.3615 32.1117 178.6446 56 R 3.9577 8.3289 119.0622 58.9902 30.0032 178.2455 57 A 4.0615 8.2584 120.4048 55.1900 18.4528 179.3775 58 A 4.4433 8.3877 119.1368 55.6677 18.5585 179.3273 59 E 3.9231 8.2790 116.8803 59.8766 29.3803 180.0373 60 K 3.9887 8.0479 116.9513 60.2862 32.3744 178.4191 61 M 4.0811 8.3876 118.8688 57.9582 31.9842 177.7433 62 L 3.9197 8.5811 118.4942 58.3428 42.3623 179.7184 63 V 3.5504 8.1004 117.4547 66.4671 31.1395 177.9680 64 E 4.1247 8.1443 117.3938 58.7426 29.4206 178.6592 65 L 4.7311 7.6179 115.7121 55.5553 40.8928 176.7757 66 Q 4.5416 8.2593 119.1885 56.6215 30.6552 176.8400 67 K 4.3055 7.5238 115.0329 57.5859 33.2574 176.5306 68 L 4.1980 7.7922 122.0735 54.9387 41.6562 176.5175 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 P 0.00 4.36 0.00 2.13 2.30 0.00 3.30 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.04 0.00 2 I 7.40 2.96 1.71 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 -0.05 0.71 0.00 0.00 3 S 8.88 4.14 0.00 3.86 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 4 Q 7.96 3.97 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.63 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 5 V 7.73 3.61 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.24 0.00 0.00 6 H 8.73 4.08 0.00 3.42 3.39 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.42 3.97 0.00 2.27 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 2.35 2.43 0.00 8 I 8.15 3.81 1.89 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 1.48 1.02 0.93 0.00 0.00 9 G 8.30 4.02 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 0.00 0.00 0.00 10 I 7.82 3.86 2.21 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 1.55 1.12 0.93 0.00 0.00 11 K 8.13 4.06 0.00 1.98 1.89 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.57 7.81 12 R 9.06 4.43 0.00 1.76 1.90 0.00 3.44 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 13 N 6.74 5.15 0.00 2.88 2.95 0.00 0.00 7.13 7.55 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 14 M 7.78 4.22 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.46 0.00 15 T 8.58 4.10 4.33 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 1.33 0.00 0.00 16 V 8.40 4.44 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 0.56 0.00 0.00 0.95 0.00 0.00 17 H 8.72 4.85 0.00 3.06 3.20 0.00 5.68 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 F 8.92 4.65 0.00 3.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 9.12 4.47 0.00 1.69 1.73 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.75 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.62 7.81 20 V 8.64 4.30 2.20 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 1.16 0.00 0.00 1.04 0.00 0.00 21 L 8.32 4.76 0.00 1.81 1.71 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.62 4.71 0.00 1.93 1.73 0.00 3.23 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 0.00 23 E 7.32 2.00 0.00 1.47 1.12 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 2.07 2.06 0.00 24 E 6.95 4.73 0.00 1.96 1.75 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 1.95 2.03 0.00 25 G 8.28 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 26 P 0.00 4.28 0.00 2.08 2.12 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 27 A 6.73 4.49 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.20 5.56 0.00 3.33 3.39 0.00 5.70 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 M 7.39 4.85 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 30 K 8.22 4.45 0.00 1.86 1.97 0.00 1.54 0.00 0.00 1.86 0.00 0.00 3.20 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.61 1.60 7.81 31 N 8.40 5.60 0.00 2.64 2.76 0.00 0.00 6.96 8.16 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 32 F 9.33 4.51 0.00 3.07 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.37 4.67 1.88 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 1.35 1.08 1.00 0.00 0.00 34 T 8.93 4.38 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 35 A 8.99 4.63 1.29 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 0.00 0.00 0.00 36 C 8.42 4.47 0.00 2.27 1.18 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 0.00 0.00 0.00 0.00 37 I 8.15 4.28 1.79 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.49 0.97 0.00 0.00 38 V 7.97 5.25 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 0.77 0.00 0.00 0.88 0.00 0.00 39 G 8.88 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 40 S 9.14 4.66 0.00 3.81 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 41 I 7.75 4.54 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.59 0.89 0.00 0.00 42 V 7.97 4.27 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.90 0.00 0.00 43 T 8.54 4.50 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 1.20 0.00 0.00 44 E 8.40 4.78 0.00 1.86 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 2.29 2.30 0.00 45 G 8.36 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 0.00 0.00 0.00 46 E 8.64 5.41 0.00 1.89 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 2.25 0.00 47 G 8.48 3.79 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 0.00 0.00 0.00 48 N 8.42 5.27 0.00 2.76 2.82 0.00 0.00 7.44 8.02 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 49 G 8.31 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 0.00 0.00 0.00 0.00 50 K 7.96 2.48 0.00 1.43 1.48 0.00 1.48 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.16 1.27 7.81 51 K 7.60 4.06 0.00 1.67 1.77 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.41 7.81 52 V 7.51 3.80 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 0.77 0.00 0.00 0.91 0.00 0.00 53 S 7.39 4.03 0.00 3.97 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 54 K 7.88 3.94 0.00 1.75 1.67 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.45 7.81 55 K 7.88 3.89 0.00 1.77 1.86 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.47 7.81 56 R 8.33 3.96 0.00 1.99 2.01 0.00 3.22 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.72 0.00 57 A 8.26 4.06 1.76 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 0.00 0.00 58 A 8.39 4.44 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 59 E 8.28 3.92 0.00 2.19 2.07 0.00 0.00 0.00 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 2.54 0.00 60 K 8.05 3.99 0.00 2.13 1.91 0.00 1.78 0.00 0.00 1.94 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.63 7.81 61 M 8.39 4.08 0.00 2.35 1.90 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.60 0.00 62 L 8.58 3.92 0.00 1.76 1.73 0.96 0.79 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 63 V 8.10 3.55 2.24 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 0.99 0.00 0.00 0.95 0.00 0.00 64 E 8.14 4.12 0.00 2.21 1.95 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 2.34 2.37 0.00 65 L 7.62 4.73 0.00 1.72 1.71 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 8.26 4.54 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.04 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 67 K 7.52 4.31 0.00 1.99 1.85 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.44 7.81 68 L 7.79 4.20 0.00 1.64 1.57 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00