NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4896 8.3049 120.3266 54.5544 33.1477 176.2849 2 N 4.9038 9.0504 116.9986 51.6875 43.0382 172.3489 3 T 4.5286 8.1048 117.3483 61.5269 71.4076 174.1970 4 S 4.3249 8.5686 122.0514 57.8851 63.9611 174.3765 5 V 4.1233 8.0057 122.7401 59.8480 32.7826 173.7662 6 P 4.4499 0.0000 0.0000 62.6533 32.0768 175.7039 7 T 4.5244 8.3793 118.2184 61.8214 70.2136 173.4816 8 S 4.5947 8.2542 119.9033 56.7163 66.2410 173.4050 9 V 4.0166 8.2221 120.5796 60.0656 31.7625 173.8502 10 P 4.8112 0.0000 0.0000 61.1501 33.6833 175.3943 11 T 3.9743 8.3166 114.0889 64.4496 66.3645 172.2115 12 N 4.7718 8.3545 121.4511 51.3778 40.7299 174.5522 13 Q 4.3960 8.6266 123.5817 53.9763 29.6958 176.1951 14 S 4.3590 8.6078 119.6872 57.0263 62.7330 174.7076 15 V 4.0787 7.8373 126.7717 59.6656 30.3679 174.7009 16 W 4.2066 8.6528 126.7904 56.4474 29.0524 178.0573 17 G 3.9180 8.4509 114.4084 45.2323 0.0000 171.7356 18 N 4.6063 8.1408 120.4190 53.1546 37.1249 173.6374 19 V 4.0250 8.0275 121.4794 60.1362 32.1922 176.6042 20 S 4.6645 8.5540 119.6514 56.5989 64.4922 173.5562 21 T 4.6354 8.2566 121.0997 60.5139 72.5428 174.5670 22 G 3.7155 8.7114 112.7168 44.4526 0.0000 174.2218 23 L 4.0373 8.7750 126.7430 58.4620 41.8461 179.5128 24 D 4.3473 8.0979 117.7139 57.2636 40.9502 178.5174 25 A 4.1174 7.9130 120.7519 54.6572 18.2576 179.6878 26 L 4.0499 8.3811 118.3472 58.2599 41.8969 179.2154 27 I 3.6616 8.1114 120.3226 64.7754 37.0197 178.5511 28 S 4.2792 8.2136 114.4522 61.3993 63.0041 176.7079 29 G 3.6303 8.0388 109.4109 47.3900 0.0000 175.7116 30 W 4.0705 9.4503 122.4497 59.3316 28.8926 178.5539 31 A 4.1097 8.2705 120.9391 55.0742 17.8523 179.9570 32 R 3.9288 8.6044 117.4752 59.3091 30.1558 179.6024 33 V 3.6797 7.8283 118.8874 64.6076 31.3812 178.3719 34 E 4.0300 8.0087 119.5439 59.4240 29.2681 179.2406 35 Q 4.0678 7.8808 118.3092 58.8365 28.7086 178.8013 36 I 3.7430 7.7533 120.9132 64.3079 37.1596 178.6227 37 K 4.0121 8.1877 119.1847 59.3435 31.9008 179.3167 38 A 4.0387 8.1237 120.9762 54.9143 16.9901 179.5603 39 A 3.9802 8.0046 119.5691 55.2848 18.2957 180.0569 40 K 4.2450 8.0310 116.4405 59.3684 31.8742 179.5184 41 A 4.0312 7.8636 120.8146 54.9429 18.3235 179.5244 42 S 4.1691 7.8784 111.8413 60.2400 63.4869 174.7938 43 T 4.5750 6.9461 119.0233 61.6322 70.3400 176.0623 44 G 3.6215 8.5139 111.4116 47.7933 0.0000 176.1778 45 Q 4.1950 8.1436 119.9363 58.6079 28.4906 178.7216 46 G 3.8242 7.4318 107.5760 47.1170 0.0000 175.8293 47 R 4.1143 7.8325 120.2155 59.0214 30.3583 179.3284 48 V 3.7957 7.8050 118.6826 64.5847 30.8777 178.3874 49 E 4.0542 7.8474 118.2531 59.3960 28.8072 179.0260 50 Q 4.1435 7.8449 115.9748 58.0242 28.6116 178.1113 51 A 4.1077 7.4627 121.1830 54.6762 18.5764 177.9643 52 M 4.3382 7.5534 112.9622 55.6789 32.0421 176.6636 53 T 4.3788 7.4198 115.7960 61.1321 69.2220 171.5718 54 P 4.8349 0.0000 0.0000 60.9158 33.9645 174.6319 55 E 4.6694 8.5841 118.7827 55.3392 32.3774 175.8539 56 L 4.9142 8.2652 123.6369 52.8769 45.2351 175.4255 57 D 4.5314 8.7814 117.9821 57.8308 40.0923 175.9179 58 N 4.4965 7.2718 112.7200 52.1909 41.2931 174.8395 59 G 4.2841 8.2167 103.0800 46.0948 0.0000 171.3162 60 A 4.4383 8.0940 118.3399 51.7385 21.5632 175.6413 61 A 4.5670 8.3196 123.1612 52.1405 22.0060 177.2020 62 V 4.5006 7.9981 119.8577 60.3857 35.6264 173.9940 63 V 4.3691 8.0084 119.9141 61.5898 35.1666 173.3488 64 V 4.5328 7.9972 114.7047 62.2969 35.0267 171.8273 65 E 4.3364 8.4895 117.3566 56.1406 30.5739 175.2372 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 4.49 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 2 N 9.05 4.90 0.00 2.74 2.67 0.00 0.00 6.63 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.10 4.53 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 4 S 8.57 4.32 0.00 3.98 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 5 V 8.01 4.12 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 0.77 0.00 0.00 0.93 0.00 0.00 6 P 0.00 4.45 0.00 2.20 2.09 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 7 T 8.38 4.52 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 8 S 8.25 4.59 0.00 3.92 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 9 V 8.22 4.02 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 0.78 0.00 0.00 0.94 0.00 0.00 10 P 0.00 4.81 0.00 2.19 2.13 0.00 3.78 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.96 0.00 11 T 8.32 3.97 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 12 N 8.35 4.77 0.00 2.67 2.73 0.00 0.00 7.04 7.69 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 13 Q 8.63 4.40 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.02 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 14 S 8.61 4.36 0.00 4.05 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 15 V 7.84 4.08 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 0.71 0.00 0.00 0.95 0.00 0.00 16 W 8.65 4.21 0.00 3.29 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 17 G 8.45 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.14 4.61 0.00 2.76 2.85 0.00 0.00 7.20 7.68 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 19 V 8.03 4.03 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 0.80 0.00 0.00 0.97 0.00 0.00 20 S 8.55 4.66 0.00 3.96 3.89 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 0.00 0.00 0.00 21 T 8.26 4.64 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 1.25 0.00 0.00 22 G 8.71 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.77 4.04 0.00 1.75 1.76 0.93 1.10 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 24 D 8.10 4.35 0.00 2.78 2.73 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 0.00 25 A 7.91 4.12 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.38 4.05 0.00 2.03 2.05 1.04 0.81 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 27 I 8.11 3.66 2.06 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 1.53 0.73 0.93 0.00 0.00 28 S 8.21 4.28 0.00 4.11 4.15 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 29 G 8.04 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 W 9.45 4.07 0.00 3.40 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 31 A 8.27 4.11 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.60 3.93 0.00 1.99 1.98 0.00 3.13 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 33 V 7.83 3.68 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 0.81 0.00 0.00 0.84 0.00 0.00 34 E 8.01 4.03 0.00 2.27 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 2.40 2.61 0.00 35 Q 7.88 4.07 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 36 I 7.75 3.74 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.27 0.89 0.00 0.00 37 K 8.19 4.01 0.00 1.99 1.87 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.62 7.81 38 A 8.12 4.04 1.40 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 0.00 0.00 39 A 8.00 3.98 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 40 K 8.03 4.25 0.00 1.97 1.86 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.62 7.81 41 A 7.86 4.03 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 42 S 7.88 4.17 0.00 4.06 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 43 T 6.95 4.57 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 1.24 0.00 0.00 44 G 8.51 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.14 4.20 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 46 G 7.43 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.83 4.11 0.00 2.04 1.99 0.00 3.13 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 48 V 7.81 3.80 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 0.88 0.00 0.00 0.93 0.00 0.00 49 E 7.85 4.05 0.00 2.23 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 2.32 2.49 0.00 50 Q 7.84 4.14 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 51 A 7.46 4.11 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 52 M 7.55 4.34 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.50 0.00 53 T 7.42 4.38 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 54 P 0.00 4.83 0.00 2.16 2.08 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 1.91 1.96 0.00 55 E 8.58 4.67 0.00 1.93 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 56 L 8.27 4.91 0.00 1.60 1.39 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 57 D 8.78 4.53 0.00 2.69 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 58 N 7.27 4.50 0.00 2.67 2.59 0.00 0.00 6.36 7.51 0.00 0.00 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 8.22 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 0.00 0.00 0.00 0.00 60 A 8.09 4.44 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.32 4.57 1.20 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 0.00 0.00 62 V 8.00 4.50 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 0.73 0.00 0.00 0.93 0.00 0.00 63 V 8.01 4.37 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 0.93 0.00 0.00 64 V 8.00 4.53 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 0.93 0.00 0.00 65 E 8.49 4.34 0.00 1.92 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.86 0.00