NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3220 8.4449 118.7965 56.1802 31.9237 176.5371 4 R 3.9148 7.8609 117.8325 54.5712 31.0601 174.7893 5 P 4.1917 0.0000 0.0000 66.1772 32.2512 178.5205 6 L 3.9111 7.9415 116.7771 57.8331 41.5045 179.2537 7 D 4.3290 8.1152 118.7772 57.3277 40.6153 178.9891 8 V 3.5309 7.6448 118.0300 66.2018 31.4334 177.8434 9 I 3.5169 7.2987 118.0620 64.4577 37.2109 177.6583 10 H 4.3642 7.9966 118.9654 59.4426 29.6210 177.5881 11 R 4.0446 7.8461 117.7181 58.2918 30.0171 178.0501 12 S 4.5996 7.3832 114.2904 57.0380 63.0952 173.7163 13 L 4.0821 7.1414 122.6708 56.4165 41.7193 176.7578 14 D 4.4987 9.8758 121.8487 54.6312 40.6322 173.0221 15 K 4.7326 7.8550 116.7401 54.3336 35.7936 174.8988 16 D 4.9953 8.4801 121.7679 54.6343 42.3272 175.4288 17 V 5.0056 8.7560 117.6443 59.6041 36.9197 173.9964 18 L 4.8777 9.0296 124.8528 53.5309 44.4622 175.4195 19 V 4.6060 8.8642 128.0671 61.5977 32.9429 174.5332 20 I 4.5200 8.9537 130.5332 60.6790 38.5586 175.7314 21 L 4.9728 8.6270 126.3214 52.9100 44.7339 177.5826 22 K 4.2612 7.9887 120.3890 53.9709 30.3237 177.3971 23 K 5.3241 9.0042 135.0000 56.2906 34.2873 174.3406 24 G 3.9564 8.0783 103.9296 46.7887 0.0000 173.8647 25 F 4.8552 7.9159 119.5748 56.2347 43.1411 173.5382 26 E 5.3210 8.8990 123.9623 54.9354 34.5025 174.0830 27 F 5.3002 9.2207 119.8618 55.8493 42.9186 174.4327 28 R 4.9960 9.0885 121.7530 54.3262 33.7793 174.5998 29 G 4.1241 7.9516 111.5400 46.2918 0.0000 171.1087 30 R 4.7691 7.8863 120.8946 55.2098 30.9456 175.5938 31 L 4.6710 8.9027 130.2415 55.4044 42.6587 176.8469 32 I 4.4348 8.4251 119.0080 60.3179 39.1392 175.0321 33 G 4.1208 7.4846 108.9842 46.3289 0.0000 171.4596 34 Y 5.3290 7.6930 117.5935 56.8497 40.4300 171.5504 35 D 4.9370 8.4279 118.7477 51.5327 43.0674 176.4681 36 I 3.7813 8.5132 111.2486 63.8192 37.4197 176.4149 37 H 4.5696 8.1471 116.1780 55.5126 28.7940 174.9681 38 L 3.7795 7.9803 118.4170 55.7514 39.2755 174.3640 39 N 4.8996 8.4284 115.6951 53.4822 39.8913 174.8455 40 V 4.9432 8.7938 114.1875 59.7186 36.8116 174.4814 41 V 4.8426 8.7113 121.9310 61.1784 34.3857 174.3487 42 L 5.3580 8.9429 126.6884 52.9433 45.5791 175.3722 43 A 4.9777 8.8294 123.9159 50.4757 21.9992 175.6893 44 D 4.4836 8.8565 118.1641 55.4335 38.8114 172.9709 45 A 5.2987 8.4591 122.2487 50.0861 23.4235 176.5862 46 E 5.0922 9.4039 117.1045 54.7420 32.9176 174.5724 47 M 4.4036 9.2990 125.6645 55.2374 33.4885 174.9264 48 I 4.8248 8.8352 127.3515 59.7107 41.2808 175.0569 49 Q 4.1635 8.7449 127.0692 55.1446 30.8310 174.0240 50 D 4.1994 8.8907 129.3171 55.4818 37.3546 175.6855 51 G 4.0068 8.1665 103.2376 45.7949 0.0000 172.4871 52 E 4.5525 7.4833 119.2552 53.7389 31.9261 175.0890 53 V 4.1834 8.2897 125.8319 62.8159 32.2112 175.5913 54 V 4.3414 8.3313 119.8610 61.8421 33.9212 175.9294 55 K 4.5880 7.6108 117.5526 55.0344 36.7477 175.3605 56 R 5.0105 7.7475 119.3722 54.9296 34.2985 174.2728 57 Y 4.7677 9.1051 118.8490 56.4621 42.4011 176.6506 58 G 3.6573 9.0515 110.1746 48.9725 0.0000 173.3211 59 K 5.2504 7.8627 120.1825 54.4721 35.5579 174.9823 60 I 4.4776 8.9637 126.6462 59.3766 41.8338 173.4512 61 V 4.5419 8.2684 128.8025 61.4319 32.9239 174.5342 62 I 4.3464 8.5209 129.4497 59.4242 39.5041 175.4123 63 R 4.5144 8.5072 126.3347 55.4823 30.8982 177.9543 64 G 3.6911 9.5345 112.9288 48.3773 0.0000 175.0639 65 D 4.3137 8.1571 118.5896 56.9956 41.1416 176.4968 66 N 4.6246 7.9457 114.7419 53.3120 39.1469 174.7889 67 V 4.1795 7.5253 119.5902 62.4635 32.3261 175.2323 68 L 4.3988 9.0612 129.5856 57.4038 42.8982 176.2403 69 A 4.6008 7.4510 116.8944 51.2238 22.5281 175.0943 70 I 5.0592 8.3511 119.4961 59.5538 40.8200 175.1123 71 S 4.6285 9.0605 120.8984 55.7826 65.5604 171.0547 72 P 4.7029 0.0000 0.0000 62.4339 31.7859 176.5231 73 T 4.1394 8.4641 121.0126 63.8281 67.9560 174.5034 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 2.09 2.15 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 2.17 2.34 0.00 4 R 7.86 3.91 0.00 2.10 1.88 0.00 3.16 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 5 P 0.00 4.19 0.00 2.12 2.11 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 6 L 7.94 3.91 0.00 1.68 1.73 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.12 4.33 0.00 2.99 2.72 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 8 V 7.64 3.53 2.16 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 1.04 0.00 0.00 0.96 0.00 0.00 9 I 7.30 3.52 1.32 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.71 0.24 0.00 0.00 10 H 8.00 4.36 0.00 3.41 3.52 0.00 5.78 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 11 R 7.85 4.04 0.00 1.93 1.96 0.00 3.20 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.99 0.00 12 S 7.38 4.60 0.00 3.80 3.85 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 0.00 0.00 0.00 13 L 7.14 4.08 0.00 1.67 1.65 1.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 14 D 9.88 4.50 0.00 2.62 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 15 K 7.86 4.73 0.00 1.83 1.67 0.00 1.83 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.51 7.81 16 D 8.48 5.00 0.00 2.74 2.54 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 17 V 8.76 5.01 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 0.91 0.00 0.00 1.01 0.00 0.00 18 L 9.03 4.88 0.00 1.72 1.53 1.01 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.86 4.61 2.28 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 1.08 0.00 0.00 0.99 0.00 0.00 20 I 8.95 4.52 1.91 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 1.27 0.50 0.95 0.00 0.00 21 L 8.63 4.97 0.00 1.80 1.51 1.16 0.83 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 22 K 7.99 4.26 0.00 1.50 1.77 0.00 1.82 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.57 7.81 23 K 9.00 5.32 0.00 1.76 1.86 0.00 2.16 0.00 0.00 1.91 0.00 0.00 3.14 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.23 1.13 7.81 24 G 8.08 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 0.00 0.00 0.00 25 F 7.92 4.86 0.00 3.04 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 26 E 8.90 5.32 0.00 1.86 1.78 0.00 0.00 0.00 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 2.36 0.00 27 F 9.22 5.30 0.00 3.11 2.89 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 28 R 9.09 5.00 0.00 1.92 1.76 0.00 3.20 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 29 G 7.95 4.12 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 0.00 0.00 0.00 30 R 7.89 4.77 0.00 1.96 1.84 0.00 3.40 0.00 0.00 3.11 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 31 L 8.90 4.67 0.00 1.84 1.74 1.09 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.43 4.43 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.86 0.96 0.00 0.00 33 G 7.48 4.12 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 0.00 0.00 0.00 34 Y 7.69 5.33 0.00 3.03 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 35 D 8.43 4.94 0.00 2.69 2.74 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 36 I 8.51 3.78 1.82 0.00 0.00 0.78 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 0.17 0.91 0.00 0.00 37 H 8.15 4.57 0.00 3.20 3.38 0.00 5.79 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.98 3.78 0.00 1.85 1.82 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 39 N 8.43 4.90 0.00 2.99 2.74 0.00 0.00 6.80 7.17 0.00 0.00 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 V 8.79 4.94 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 0.72 0.00 0.00 0.91 0.00 0.00 41 V 8.71 4.84 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 1.08 0.00 0.00 0.92 0.00 0.00 42 L 8.94 5.36 0.00 1.55 1.50 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.83 4.98 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 0.00 0.00 0.00 0.00 0.00 44 D 8.86 4.48 0.00 2.72 2.69 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 0.00 0.00 0.00 0.00 45 A 8.46 5.30 1.42 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 0.00 0.00 46 E 9.40 5.09 0.00 1.95 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 2.40 2.26 0.00 47 M 9.30 4.40 0.00 2.03 2.23 0.00 0.00 0.00 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.59 0.00 48 I 8.84 4.82 1.74 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 1.03 0.81 0.82 0.00 0.00 49 Q 8.74 4.16 0.00 1.68 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.58 0.00 0.00 0.00 0.00 0.00 2.21 2.44 0.00 50 D 8.89 4.20 0.00 2.88 2.72 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 51 G 8.17 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 0.00 0.00 0.00 52 E 7.48 4.55 0.00 1.97 1.87 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 2.13 2.15 0.00 53 V 8.29 4.18 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 0.80 0.00 0.00 0.90 0.00 0.00 54 V 8.33 4.34 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 0.62 0.00 0.00 0.78 0.00 0.00 55 K 7.61 4.59 0.00 1.55 1.17 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.49 7.81 56 R 7.75 5.01 0.00 1.47 1.67 0.00 3.11 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 57 Y 9.11 4.77 0.00 2.90 2.82 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 58 G 9.05 3.66 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 0.00 0.00 0.00 59 K 7.86 5.25 0.00 1.73 1.63 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.43 7.81 60 I 8.96 4.48 1.49 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 1.08 0.57 0.00 0.00 61 V 8.27 4.54 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 0.82 0.00 0.00 0.88 0.00 0.00 62 I 8.52 4.35 1.77 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.15 0.87 0.00 0.00 63 R 8.51 4.51 0.00 1.85 1.83 0.00 3.11 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 64 G 9.53 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.16 4.31 0.00 2.64 2.71 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 0.00 0.00 0.00 0.00 66 N 7.95 4.62 0.00 2.72 2.78 0.00 0.00 6.55 8.04 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 67 V 7.53 4.18 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 0.81 0.00 0.00 0.96 0.00 0.00 68 L 9.06 4.40 0.00 1.64 1.85 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.45 4.60 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.35 5.06 1.86 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 1.25 0.73 0.90 0.00 0.00 71 S 9.06 4.63 0.00 3.84 3.66 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 72 P 0.00 4.70 0.00 1.97 1.97 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 73 T 8.46 4.14 4.40 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 1.22 0.00 0.00