NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3159 8.4444 121.4709 55.7551 31.6655 175.1287 4 K 4.4631 7.5421 117.6881 54.6020 35.5892 173.7915 5 R 4.2681 9.4735 126.4726 56.1307 31.4063 175.3484 6 R 5.0979 8.5380 123.1869 54.5439 32.8517 176.8543 7 D 5.2738 8.4482 120.3325 52.5392 41.7069 177.0547 8 N 4.8765 8.7180 117.8246 54.1588 39.3884 175.8642 9 R 4.6949 8.4934 114.7662 56.5169 31.3100 176.5292 10 G 4.1797 8.8325 107.4776 46.6185 0.0000 173.0210 11 R 4.3671 8.8666 120.3375 55.5292 31.7741 175.5822 12 I 4.4446 8.1894 123.3748 60.5172 38.0358 175.7150 13 L 4.4610 8.5265 127.3570 53.7782 43.1547 176.8696 14 K 4.3107 8.0624 120.1137 55.3575 33.2420 177.0126 15 T 4.0693 8.2403 118.0120 64.9733 68.9796 174.0502 16 G 4.4527 8.8706 114.1462 46.1258 0.0000 173.9426 17 E 4.6426 7.5915 117.5033 55.3839 31.0764 176.6593 18 S 4.8070 8.3184 114.9082 58.7314 70.0800 175.1699 19 Q 4.7658 8.1192 115.0514 54.7178 31.5338 176.4868 20 R 4.4365 8.1820 123.9768 56.2140 29.9354 176.0082 21 K 4.3104 8.5599 112.8856 57.9147 32.8989 177.0126 22 D 4.5927 8.0494 116.5157 54.6946 41.0994 177.0879 23 G 4.0579 8.1257 108.3612 44.9074 0.0000 173.9637 24 R 3.4785 6.9931 115.8563 55.9183 30.3586 175.3834 25 Y 4.9512 8.2941 117.7741 57.4817 39.9035 174.6532 26 L 4.6889 8.5516 123.0023 53.5833 46.5436 174.7321 27 Y 4.8498 8.3163 125.3894 54.6050 40.9135 173.3274 28 K 4.4932 8.3194 127.4006 54.5101 33.9097 175.1686 29 Y 4.6700 7.2219 123.0961 55.5413 41.3637 173.6857 30 I 4.0323 8.4390 124.0572 61.3741 37.8545 175.8374 31 D 4.9120 8.4307 127.7256 52.4642 40.9722 176.6831 32 S 4.5177 8.5108 111.0322 58.9709 61.9007 174.2570 33 F 4.4309 8.0237 118.8429 57.9218 39.4352 176.8600 34 G 4.2233 9.7071 108.4564 44.8144 0.0000 172.9489 35 E 4.5650 8.3940 116.4217 53.9724 32.4386 173.0164 36 P 4.2276 0.0000 0.0000 62.1170 32.6432 174.8616 37 Q 4.4992 7.8715 120.2288 54.3232 32.0792 173.9057 38 F 4.5835 8.9944 124.9832 56.1101 40.4956 175.1786 39 V 4.5235 7.9149 123.0803 61.4310 33.7471 174.1493 40 Y 4.7194 8.5807 125.1534 56.9239 39.7411 174.9278 41 S 4.6641 7.9704 112.3173 58.3301 66.1026 177.0703 42 W 4.4604 9.3637 124.3917 57.2838 30.6762 176.7717 43 K 4.7875 8.0865 118.1586 54.7195 33.1033 177.3126 44 L 3.5937 8.6406 125.5345 57.1336 42.4396 176.7408 45 V 4.7908 7.5391 108.8879 58.1226 36.0617 175.1235 46 A 4.6203 8.3259 124.9349 51.4199 16.9367 177.5138 47 T 4.7468 7.2996 108.4105 62.1341 74.2959 176.3035 48 D 4.7893 7.4975 121.0984 54.0076 41.4815 173.3966 49 R 4.7086 8.1712 119.9942 56.6254 33.5024 174.0970 50 V 4.3562 8.2292 110.6141 60.0615 35.8318 172.2155 51 P 3.8841 0.0000 0.0000 62.4911 31.6506 175.5437 52 A 4.0335 8.3124 125.3755 54.0699 18.6561 177.5888 53 G 3.9347 8.8785 109.8377 45.0805 0.0000 174.0527 54 K 4.2549 7.0545 118.2093 55.2535 33.1104 176.8555 55 R 4.2395 8.2036 119.8623 55.9088 30.9416 175.8747 56 D 4.7352 8.1872 118.5903 53.6550 42.4991 175.1528 57 A 4.4709 7.4325 123.7589 51.3480 22.5221 176.5221 58 I 4.0141 8.3916 114.1303 60.0822 38.7125 176.2367 59 S 4.4400 8.6333 116.9660 57.7493 63.3708 174.9978 60 L 3.9512 8.5154 123.3412 58.7739 41.6935 179.7355 61 R 3.5798 7.5599 116.2712 59.2532 29.6658 178.8526 62 E 4.0172 8.2130 118.0863 58.9374 29.8216 179.0277 63 K 4.1343 7.8339 117.9842 59.5535 32.2327 179.0300 64 I 3.5185 8.3585 120.3702 64.5837 37.0101 178.1702 65 A 4.4337 7.8127 122.4801 54.6468 17.7873 179.5627 66 E 3.9535 8.0401 116.4947 59.4145 29.6360 179.0704 67 L 4.1593 7.6812 118.1886 57.4876 42.0790 178.8609 68 Q 4.1405 8.2424 117.8094 56.9422 28.8477 178.3328 69 K 4.4166 8.4932 119.7348 56.1351 31.9596 179.6562 70 D 4.4456 8.8459 131.1030 54.4865 43.2718 175.0220 71 I 3.9703 8.1141 123.0767 60.9431 38.0264 175.5424 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 3 E 8.44 4.32 0.00 1.95 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 2.19 2.31 0.00 4 K 7.54 4.46 0.00 1.82 1.61 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.33 1.60 7.81 5 R 9.47 4.27 0.00 1.87 1.87 0.00 3.20 0.00 0.00 3.34 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 6 R 8.54 5.10 0.00 1.70 1.86 0.00 3.38 0.00 0.00 3.29 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 7 D 8.45 5.27 0.00 3.10 3.01 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 8 N 8.72 4.88 0.00 2.79 2.88 0.00 0.00 6.38 7.50 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 9 R 8.49 4.69 0.00 1.99 1.68 0.00 3.35 0.00 0.00 3.26 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 10 G 8.83 4.18 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 0.00 11 R 8.87 4.37 0.00 2.04 1.86 0.00 3.14 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 12 I 8.19 4.44 1.86 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 1.35 0.77 0.91 0.00 0.00 13 L 8.53 4.46 0.00 1.55 1.58 1.15 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.06 4.31 0.00 1.78 1.67 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.48 7.81 15 T 8.24 4.07 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 1.23 0.00 0.00 16 G 8.87 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.59 4.64 0.00 2.07 1.88 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 2.24 2.20 0.00 18 S 8.32 4.81 0.00 3.88 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 19 Q 8.12 4.77 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 20 R 8.18 4.44 0.00 1.75 1.82 0.00 3.30 0.00 0.00 3.46 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.72 0.00 21 K 8.56 4.31 0.00 1.81 1.87 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.47 7.81 22 D 8.05 4.59 0.00 2.68 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 23 G 8.13 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 6.99 3.48 0.00 0.67 0.66 0.00 2.95 0.00 0.00 2.94 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.30 0.00 25 Y 8.29 4.95 0.00 3.07 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.55 4.69 0.00 1.43 1.24 0.04 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.32 4.85 0.00 2.94 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.32 4.49 0.00 1.27 1.35 0.00 1.44 0.00 0.00 2.61 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.97 0.37 7.81 29 Y 7.22 4.67 0.00 2.93 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 0.00 0.00 0.00 0.00 30 I 8.44 4.03 1.90 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 1.39 0.80 0.92 0.00 0.00 31 D 8.43 4.91 0.00 3.12 2.94 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 32 S 8.51 4.52 0.00 3.77 3.61 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 33 F 8.02 4.43 0.00 3.50 3.04 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 34 G 9.71 4.22 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 0.00 0.00 0.00 35 E 8.39 4.57 0.00 2.05 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 36 P 0.00 4.23 0.00 2.09 1.98 0.00 3.61 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 37 Q 7.87 4.50 0.00 1.55 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.08 0.00 0.00 0.00 0.00 0.00 2.20 2.24 0.00 38 F 8.99 4.58 0.00 2.88 3.03 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 0.00 0.00 0.00 39 V 7.91 4.52 2.30 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 1.09 0.00 0.00 1.22 0.00 0.00 40 Y 8.58 4.72 0.00 2.92 2.84 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 S 7.97 4.66 0.00 3.97 3.74 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 0.00 0.00 0.00 0.00 42 W 9.36 4.46 0.00 3.39 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 43 K 8.09 4.79 0.00 1.93 1.99 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.84 1.61 7.81 44 L 8.64 3.59 0.00 0.58 1.38 0.46 0.68 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 45 V 7.54 4.79 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 1.12 0.00 0.00 0.99 0.00 0.00 46 A 8.33 4.62 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 47 T 7.30 4.75 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 1.21 0.00 0.00 48 D 7.50 4.79 0.00 2.82 2.75 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 0.00 0.00 0.00 49 R 8.17 4.71 0.00 1.75 1.82 0.00 3.39 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 50 V 8.23 4.36 1.80 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 0.86 0.00 0.00 0.86 0.00 0.00 51 P 0.00 3.88 0.00 1.60 1.76 0.00 2.92 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.91 0.00 52 A 8.31 4.03 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 53 G 8.88 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.05 4.25 0.00 1.44 1.22 0.00 1.38 0.00 0.00 1.68 0.00 0.00 2.64 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.30 1.02 7.81 55 R 8.20 4.24 0.00 1.90 1.91 0.00 3.23 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 56 D 8.19 4.74 0.00 2.63 2.58 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 57 A 7.43 4.47 1.28 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 58 I 8.39 4.01 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.73 0.94 0.00 0.00 59 S 8.63 4.44 0.00 4.14 4.18 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 60 L 8.52 3.95 0.00 1.76 1.62 1.03 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 61 R 7.56 3.58 0.00 1.89 1.90 0.00 3.23 0.00 0.00 3.03 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.81 0.00 62 E 8.21 4.02 0.00 2.10 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 2.33 2.49 0.00 63 K 7.83 4.13 0.00 1.94 1.92 0.00 1.88 0.00 0.00 1.91 0.00 0.00 3.00 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.58 1.87 7.81 64 I 8.36 3.52 1.73 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.24 0.61 0.00 0.00 65 A 7.81 4.43 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 66 E 8.04 3.95 0.00 2.14 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 0.00 2.55 2.51 0.00 67 L 7.68 4.16 0.00 1.57 1.62 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 8.24 4.14 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.65 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 69 K 8.49 4.42 0.00 1.85 1.47 0.00 1.84 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.51 7.81 70 D 8.85 4.45 0.00 2.60 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.11 3.97 2.03 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.68 0.95 0.00 0.00