NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 P 4.3909 0.0000 0.0000 62.0586 32.9327 176.2639 22 D 4.3723 8.5914 123.2913 52.8137 42.3973 174.9474 23 W 4.1902 9.1387 135.0000 60.5992 31.3265 177.3321 24 R 3.8533 8.2956 118.2264 59.6578 29.4991 178.0855 25 Q 3.9036 8.8313 119.6452 58.8844 29.0548 177.7127 26 F 4.0210 8.0715 121.6030 61.5998 39.4392 176.9171 27 C 3.5975 7.7628 116.0356 62.6863 27.8241 176.0547 28 E 3.8431 8.2599 120.4492 59.3320 28.9522 179.4731 29 L 3.8507 8.0814 119.4194 58.0738 41.6229 179.3497 30 H 4.0253 7.6522 115.4778 58.5540 28.5875 177.7318 31 A 3.7494 7.8793 122.7207 54.9077 18.0641 179.5142 32 Q 3.7367 8.1401 117.9405 59.2227 29.3040 178.0513 33 A 3.9094 8.0308 121.7123 55.3205 18.3883 179.5109 34 A 3.9380 8.0842 118.8518 55.1842 18.3395 179.7708 35 A 3.7507 7.8862 119.3223 55.1254 18.4728 180.0171 36 V 3.3417 7.9575 117.1432 66.0136 31.6020 177.7997 37 D 4.2481 7.8718 117.4093 57.4725 41.1858 178.0792 38 F 4.1539 8.2055 120.8345 60.9270 39.1789 176.9211 39 A 3.8323 8.1109 121.0222 55.2484 18.1189 179.3508 40 H 4.2021 7.8476 114.2172 59.0704 28.7349 178.2620 41 K 4.0157 7.9440 120.2706 59.1155 31.7906 179.2117 42 F 3.8156 8.0859 121.3364 61.5025 39.4044 176.9981 43 C 3.7379 8.1606 116.3363 62.7282 28.0070 176.2011 44 R 3.8735 8.0594 120.3225 59.1727 29.7454 178.3869 45 F 4.0845 8.3728 121.0857 61.1401 39.1946 177.0559 46 L 3.9651 7.8100 118.0907 56.9375 41.1016 179.5456 47 R 3.8837 7.2895 117.4855 59.0348 30.2105 178.1004 48 D 4.5173 7.6779 116.5675 55.5178 42.4371 176.5427 49 N 4.9401 7.5681 116.4460 50.3706 39.4667 173.2431 50 P 4.2994 0.0000 0.0000 64.7236 31.8542 179.3185 51 A 3.9916 7.8606 120.7123 54.9968 18.3580 177.9168 52 Y 4.3868 8.0406 112.8490 60.0272 38.2163 175.5380 53 D 4.5071 7.8515 119.5445 53.5584 40.2069 174.7801 54 T 4.8183 7.9441 115.4513 58.6559 72.1546 173.3413 55 P 4.4511 0.0000 0.0000 64.8076 31.5788 177.3848 56 D 4.6323 8.0417 117.6660 55.6822 41.8570 178.3427 57 A 4.4926 8.2597 121.5637 55.4909 18.2274 179.5565 58 G 3.5449 8.4374 103.0217 48.0989 0.0000 175.4314 59 A 4.0052 7.9855 123.1197 54.7098 18.5530 179.6371 60 S 4.1157 8.3392 113.6383 61.8632 62.9086 177.0178 61 F 4.1263 8.9912 120.8465 60.6960 38.7011 177.9123 62 S 4.2221 8.1444 113.8811 61.7656 62.7126 176.7619 63 R 3.9336 8.1380 121.7849 59.0320 29.7811 178.5418 64 H 4.1333 8.3224 118.2243 58.9402 29.8151 177.1485 65 F 3.7336 8.5636 122.6296 61.1539 39.1770 176.8978 66 A 4.0647 8.4632 120.4971 55.1831 18.1998 179.4954 67 A 3.9050 8.1008 119.2210 55.3595 18.3987 179.4562 68 N 4.1560 7.9646 115.6275 56.3850 38.9241 176.8328 69 F 3.7186 8.2525 122.5720 61.2727 39.4718 177.0504 70 L 4.2119 8.0862 118.4941 57.9296 41.5343 179.2733 71 D 4.3042 8.0171 118.5837 57.5317 40.7602 178.9975 72 V 3.6524 7.8536 118.7756 65.8088 31.4311 177.6134 73 F 4.0073 8.4431 120.9192 61.2485 39.2069 177.2194 74 G 3.5150 8.0760 105.0861 47.9175 0.0000 175.3361 75 E 3.8893 7.8992 121.0229 59.0450 29.3838 179.2021 76 E 3.8511 8.2588 119.5607 58.9198 29.6600 178.8945 77 V 3.3751 7.4324 118.3225 65.9499 31.5582 178.1652 78 R 3.8220 7.7116 117.6217 59.2975 29.8246 178.8319 79 R 3.8396 7.8900 118.3516 59.6872 29.7719 178.7061 80 V 3.5805 7.8059 116.9983 65.8941 31.5688 177.7422 81 L 4.1406 7.7767 118.3885 57.4381 41.5460 179.3537 82 V 3.7749 7.8755 117.7839 63.3479 31.6399 176.6069 83 A 4.4170 7.4158 125.9610 52.1230 19.2459 176.1365 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 21 P 0.00 4.39 0.00 2.08 2.10 0.00 3.67 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.10 0.00 22 D 8.59 4.37 0.00 2.85 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.14 4.19 0.00 3.50 3.12 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 0.00 0.00 0.00 24 R 8.30 3.85 0.00 2.02 2.21 0.00 3.28 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.72 0.00 25 Q 8.83 3.90 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 26 F 8.07 4.02 0.00 3.18 2.99 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 0.00 0.00 0.00 27 C 7.76 3.60 0.00 2.84 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 28 E 8.26 3.84 0.00 1.92 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 2.25 2.52 0.00 29 L 8.08 3.85 0.00 1.45 1.53 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 30 H 7.65 4.03 0.00 2.76 3.12 0.00 5.62 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 31 A 7.88 3.75 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 0.00 0.00 32 Q 8.14 3.74 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 33 A 8.03 3.91 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 34 A 8.08 3.94 1.26 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 0.00 0.00 35 A 7.89 3.75 1.25 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 0.00 0.00 0.00 36 V 7.96 3.34 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 0.87 0.00 0.00 0.89 0.00 0.00 37 D 7.87 4.25 0.00 2.89 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 38 F 8.21 4.15 0.00 2.55 2.53 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 39 A 8.11 3.83 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 40 H 7.85 4.20 0.00 3.35 3.30 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.94 4.02 0.00 1.71 1.89 0.00 1.91 0.00 0.00 1.72 0.00 0.00 3.28 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.52 1.69 7.81 42 F 8.09 3.82 0.00 2.17 2.87 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 43 C 8.16 3.74 0.00 3.11 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.06 3.87 0.00 1.97 2.09 0.00 3.12 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 45 F 8.37 4.08 0.00 3.24 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 46 L 7.81 3.97 0.00 1.30 1.42 0.10 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.29 3.88 0.00 1.90 1.90 0.00 3.10 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.80 0.00 48 D 7.68 4.52 0.00 2.47 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.57 4.94 0.00 2.53 2.70 0.00 0.00 6.55 7.52 0.00 0.00 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 P 0.00 4.30 0.00 2.16 2.27 0.00 3.78 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.89 0.00 51 A 7.86 3.99 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 52 Y 8.04 4.39 0.00 3.25 3.13 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 53 D 7.85 4.51 0.00 2.56 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 54 T 7.94 4.82 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 55 P 0.00 4.45 0.00 2.10 2.18 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 56 D 8.04 4.63 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 57 A 8.26 4.49 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.44 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 59 A 7.99 4.01 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 60 S 8.34 4.12 0.00 4.29 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 61 F 8.99 4.13 0.00 3.15 3.39 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 62 S 8.14 4.22 0.00 4.02 4.05 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 0.00 0.00 0.00 63 R 8.14 3.93 0.00 2.08 2.04 0.00 3.15 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 64 H 8.32 4.13 0.00 3.34 3.25 0.00 5.59 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 F 8.56 3.73 0.00 2.45 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 66 A 8.46 4.06 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 67 A 8.10 3.91 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 68 N 7.96 4.16 0.00 2.75 2.54 0.00 0.00 6.88 7.74 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 69 F 8.25 3.72 0.00 2.65 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 70 L 8.09 4.21 0.00 1.95 1.80 0.95 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 71 D 8.02 4.30 0.00 2.81 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 7.85 3.65 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 0.91 0.00 0.00 0.82 0.00 0.00 73 F 8.44 4.01 0.00 2.78 3.22 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 0.00 0.00 0.00 0.00 74 G 8.08 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.90 3.89 0.00 2.11 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 2.27 2.48 0.00 76 E 8.26 3.85 0.00 1.94 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 2.22 2.26 0.00 77 V 7.43 3.38 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 0.82 0.00 0.00 0.18 0.00 0.00 78 R 7.71 3.82 0.00 1.98 1.91 0.00 3.14 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.81 0.00 79 R 7.89 3.84 0.00 1.98 2.04 0.00 3.15 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 80 V 7.81 3.58 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 0.87 0.00 0.00 0.93 0.00 0.00 81 L 7.78 4.14 0.00 1.76 1.68 0.88 0.80 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 82 V 7.88 3.77 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 0.78 0.00 0.00 0.91 0.00 0.00 83 A 7.42 4.42 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