NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6559 8.3049 118.1953 55.4353 34.2329 173.8966 2 K 4.4389 8.5181 121.1802 55.3729 35.5490 172.0899 3 E 3.6622 9.8370 135.0000 56.9145 28.7786 174.4128 4 G 3.5927 9.3772 114.9968 47.6904 0.0000 171.0842 5 I 3.7390 8.7942 123.1035 61.9537 36.0723 174.0721 6 H 4.9541 7.1123 110.9779 57.0732 28.1967 172.3678 7 P 3.7537 0.0000 0.0000 63.9150 30.8208 175.6004 8 K 4.4919 7.4402 121.4783 50.9532 35.7364 173.8362 9 L 5.1804 8.0302 120.0705 55.5307 44.3611 175.1503 10 V 4.6916 8.4519 126.4873 60.2761 34.6812 173.2131 11 P 4.7633 0.0000 0.0000 61.1147 32.5701 177.2056 12 A 4.4747 7.7770 125.2712 52.4029 22.1730 178.5048 13 R 4.8782 8.1660 115.7487 58.0462 35.3420 172.8129 14 I 4.2515 8.4167 124.6843 59.3025 40.0547 174.9879 15 I 4.3235 8.5268 131.6574 61.3148 35.6434 174.3622 16 C 4.2550 8.7420 126.4746 56.4512 44.9871 173.1706 17 G 4.6743 8.2292 109.7417 46.1910 0.0000 171.9086 18 C 5.2737 8.7046 114.3813 55.9829 48.5108 173.9292 19 G 3.9141 7.1155 107.2846 43.7242 0.0000 174.9488 20 N 4.4217 8.5661 123.2347 52.7584 41.1196 172.3624 21 V 3.8019 7.6422 120.6373 61.9569 32.7461 175.6397 22 I 3.5432 8.9104 126.0513 62.5656 37.2072 180.4672 23 E 3.5250 10.6571 126.1687 57.1322 30.7781 177.2410 24 T 3.2271 8.7024 120.5588 64.1379 67.6708 173.7680 25 Y 3.9053 8.5727 131.3316 59.3347 36.0776 172.6895 26 S 3.8666 8.2119 115.8884 58.8017 67.3767 176.2045 27 T 4.5510 8.4412 109.7341 60.5256 70.4230 173.3390 28 K 4.4322 7.6524 122.5791 53.9663 32.5214 174.1117 29 P 4.3317 0.0000 0.0000 65.5227 32.0846 176.0214 30 E 4.9527 8.0989 123.8769 53.3530 30.5499 175.1469 31 I 4.5535 8.1414 125.1172 59.6182 40.4831 174.0519 32 Y 5.0540 8.5253 125.2237 55.9896 40.3808 174.6579 33 V 4.2717 7.7986 126.6387 60.2270 34.5031 174.2260 34 E 4.2488 8.5888 126.8234 55.6891 30.7980 180.2417 35 V 3.7203 9.0493 111.3909 61.9677 31.8123 177.9705 36 C 4.5120 9.0079 122.3946 56.8847 44.5268 177.0726 37 S 3.2886 9.8320 114.2554 58.7408 62.7088 173.2415 38 K 3.7002 9.0641 131.4673 56.6320 32.5383 175.6558 39 C 4.1240 9.0560 117.1756 58.3941 40.2190 173.2688 40 H 4.1977 12.0000 118.0834 55.6544 27.0292 172.7390 41 P 4.1377 0.0000 0.0000 63.1933 31.0220 172.3620 42 F 3.5327 9.1965 130.6841 58.8659 40.3074 174.0289 43 Y 3.2273 6.9317 124.8697 57.8963 37.0817 172.1564 44 T 3.6120 7.4155 110.2083 64.8939 71.1824 174.8164 45 G 3.6994 8.6370 116.0109 43.8487 0.0000 169.0285 46 Q 3.1497 7.3916 124.5493 55.9601 29.9229 173.5806 47 Q 4.4497 8.0640 127.5684 56.9422 29.1127 175.5143 48 R 3.8964 7.8236 116.7132 55.8331 29.9549 174.8669 49 F 4.1976 9.4575 128.9900 60.9404 39.5731 176.6928 50 V 4.3388 8.4069 114.3757 62.1247 34.6463 173.2062 51 D 4.4924 8.9809 118.7992 56.1403 38.3957 174.0804 52 T 3.9273 7.5566 111.6463 61.5114 68.3760 173.8253 53 E 4.2051 8.8490 128.7385 55.3240 28.6803 178.4978 54 G 3.9437 9.7000 105.1876 45.7586 0.0000 169.6181 55 R 3.1585 8.9606 125.3632 55.6226 28.0487 175.1788 56 V 3.6097 8.2287 124.2019 62.5244 32.6466 171.4136 57 E 3.8127 8.8235 124.4014 57.9363 27.3341 177.1974 58 R 3.8896 8.6616 119.6143 59.8845 30.3634 178.4226 59 F 3.9981 8.4250 119.9451 60.7845 39.2398 176.1189 60 Q 4.4769 8.0279 116.2272 57.3725 29.2024 177.3688 61 R 4.0597 8.6570 120.4412 58.7062 29.9217 176.7973 62 R 4.4276 7.3824 116.3323 56.0206 29.9638 175.3835 63 Y 4.2399 8.7879 115.5352 56.8889 40.3705 175.5605 64 G 4.0471 8.0925 106.3982 47.8055 0.0000 174.4423 65 D 4.0900 8.7244 118.8516 54.8179 40.0916 177.2905 66 S 3.2926 9.7987 112.2107 62.6118 60.7583 171.3897 67 Y 3.2210 8.5743 120.6910 59.0932 39.8590 172.9229 68 R 3.4376 8.2678 116.4507 58.4428 29.9199 177.7168 69 K 4.1058 7.9631 115.2182 57.8032 32.5519 178.0005 70 G 3.9834 6.8483 104.6716 49.9189 0.0000 173.5433 71 R 4.0477 8.0728 124.7263 56.0277 29.9227 176.6777 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 8.30 4.66 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 2 K 8.52 4.44 0.00 1.80 1.23 0.00 2.11 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.39 1.52 7.81 3 E 9.84 3.66 0.00 2.15 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 0.00 2.19 2.24 0.00 4 G 9.38 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.79 3.74 2.02 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 1.50 0.59 0.97 0.00 0.00 6 H 7.11 4.95 0.00 3.22 3.27 0.00 5.56 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 7 P 0.00 3.75 0.00 2.08 2.01 0.00 3.70 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 2.02 2.15 0.00 8 K 7.44 4.49 0.00 1.79 1.95 0.00 1.80 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.41 7.81 9 L 8.03 5.18 0.00 1.68 1.55 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.45 4.69 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 1.00 0.00 0.00 0.96 0.00 0.00 11 P 0.00 4.76 0.00 2.03 2.11 0.00 3.97 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 12 A 7.78 4.47 1.04 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 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.17 4.88 0.00 1.76 2.02 0.00 3.09 0.00 0.00 3.17 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.36 0.00 14 I 8.42 4.25 1.85 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 1.22 1.57 0.93 0.00 0.00 15 I 8.53 4.32 2.22 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.82 1.15 0.00 0.00 16 C 8.74 4.25 0.00 3.00 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 17 G 8.23 4.67 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 0.00 0.00 0.00 18 C 8.70 5.27 0.00 3.06 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.12 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 20 N 8.57 4.42 0.00 2.70 2.69 0.00 0.00 6.84 7.71 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 21 V 7.64 3.80 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 0.72 0.00 0.00 0.92 0.00 0.00 22 I 8.91 3.54 1.84 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 1.31 1.08 0.88 0.00 0.00 23 E 10.66 3.53 0.00 1.95 1.66 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 2.27 2.50 0.00 24 T 8.70 3.23 3.73 0.00 0.00 0.00 0.00 0.00 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 25 Y 8.57 3.91 0.00 3.21 2.91 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 0.00 0.00 0.00 26 S 8.21 3.87 0.00 4.12 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 27 T 8.44 4.55 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 1.28 0.00 0.00 28 K 7.65 4.43 0.00 1.71 1.81 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.86 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.39 1.36 7.81 29 P 0.00 4.33 0.00 2.10 2.30 0.00 3.65 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 30 E 8.10 4.95 0.00 1.85 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 2.20 2.13 0.00 31 I 8.14 4.55 1.89 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 1.25 0.71 0.93 0.00 0.00 32 Y 8.53 5.05 0.00 2.86 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 33 V 7.80 4.27 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 0.81 0.00 0.00 0.86 0.00 0.00 34 E 8.59 4.25 0.00 1.98 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 2.26 2.24 0.00 35 V 9.05 3.72 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 0.78 0.00 0.00 0.98 0.00 0.00 36 C 9.01 4.51 0.00 2.94 3.09 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 37 S 9.83 3.29 0.00 3.97 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.06 3.70 0.00 1.75 1.60 0.00 1.80 0.00 0.00 1.80 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.41 7.81 39 C 9.06 4.12 0.00 3.34 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 40 H 12.00 4.20 0.00 3.18 3.70 0.00 5.70 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.14 0.00 2.11 2.14 0.00 4.00 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 2.07 2.15 0.00 42 F 9.20 3.53 0.00 3.27 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 43 Y 6.93 3.23 0.00 2.14 2.77 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 0.00 0.00 0.00 44 T 7.42 3.61 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 1.12 0.00 0.00 45 G 8.64 3.70 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 0.00 0.00 0.00 46 Q 7.39 3.15 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.31 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 47 Q 8.06 4.45 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.52 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 48 R 7.82 3.90 0.00 2.14 1.91 0.00 3.47 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.82 0.00 49 F 9.46 4.20 0.00 3.11 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 50 V 8.41 4.34 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 0.94 0.00 0.00 1.02 0.00 0.00 51 D 8.98 4.49 0.00 2.91 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 52 T 7.56 3.93 4.28 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 1.27 0.00 0.00 53 E 8.85 4.21 0.00 2.13 1.46 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 2.32 2.36 0.00 54 G 9.70 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 55 R 8.96 3.16 0.00 1.84 2.05 0.00 2.99 0.00 0.00 3.02 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.59 0.00 56 V 8.23 3.61 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 0.93 0.00 0.00 0.81 0.00 0.00 57 E 8.82 3.81 0.00 2.30 1.92 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 2.30 2.31 0.00 58 R 8.66 3.89 0.00 2.12 2.45 0.00 3.07 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.86 0.00 59 F 8.43 4.00 0.00 3.13 3.09 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 60 Q 8.03 4.48 0.00 2.52 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.59 0.00 0.00 0.00 0.00 0.00 2.46 2.56 0.00 61 R 8.66 4.06 0.00 1.86 2.14 0.00 3.31 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 62 R 7.38 4.43 0.00 1.73 1.84 0.00 3.23 0.00 0.00 3.08 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 63 Y 8.79 4.24 0.00 2.90 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 64 G 8.09 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 0.00 0.00 0.00 65 D 8.72 4.09 0.00 2.66 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 0.00 0.00 0.00 66 S 9.80 3.29 0.00 3.86 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 67 Y 8.57 3.22 0.00 3.02 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 68 R 8.27 3.44 0.00 1.74 1.93 0.00 2.99 0.00 0.00 2.55 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.47 0.00 69 K 7.96 4.11 0.00 1.78 1.89 0.00 1.39 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.18 1.62 7.81 70 G 6.85 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.07 4.05 0.00 1.78 1.85 0.00 3.27 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00