NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2882 8.3049 118.1930 53.9208 33.1298 176.5564 2 S 3.4553 8.3715 116.6084 58.5856 61.5835 169.6258 3 L 3.6687 8.5963 122.3872 54.8170 39.9906 173.9344 4 D 4.6878 7.9066 116.1894 51.8118 41.2880 173.9464 5 P 4.3242 0.0000 0.0000 64.6139 32.0446 179.3321 6 Q 3.8543 7.7528 121.1753 59.2631 28.9401 177.4995 7 L 4.3790 7.8931 113.9412 55.1963 41.2789 176.3844 8 L 4.2198 6.8991 115.8119 54.7794 44.2855 179.2966 9 E 3.6333 8.2347 119.0313 55.7631 28.9028 173.3282 10 V 4.0879 8.1919 119.1106 61.8836 32.4642 175.5265 11 L 4.6531 8.3891 127.7419 53.1941 43.3022 175.4306 12 A 5.1541 8.2791 125.3010 49.6413 22.2457 175.2403 13 C 3.9398 8.6961 120.7702 58.7303 32.1351 173.3519 14 P 4.2450 0.0000 0.0000 64.9586 31.3943 177.4576 15 K 4.3343 7.9779 115.9015 58.3412 33.1593 177.4499 16 D 4.2975 8.0103 117.6193 55.0310 41.4249 177.2249 17 K 4.0745 8.0889 117.4664 56.5944 31.5908 175.0739 18 G 4.2147 7.4633 103.6251 44.3475 0.0000 171.8955 19 P 4.8405 0.0000 0.0000 62.7727 31.7358 176.0417 20 L 4.3753 8.6532 124.7011 54.2220 43.0431 176.4858 21 R 4.2267 9.0532 123.8920 56.0017 31.2585 174.5408 22 Y 4.7948 8.6766 128.5514 56.8063 39.9676 174.4928 23 L 4.3125 8.4941 128.5590 53.3951 42.2771 177.8954 24 E 3.8579 8.7668 124.7701 59.1220 29.9536 178.8982 25 S 4.2714 8.0164 114.2160 61.0718 62.9792 174.7495 26 E 4.5086 7.5057 115.0383 54.9690 31.5380 175.7288 27 Q 3.0607 7.7285 117.0220 56.9825 26.0388 172.3419 28 L 4.7113 7.5051 117.4487 52.6083 45.7793 177.1608 29 L 5.0711 8.8500 123.5453 53.2458 43.9600 175.3929 30 V 4.6893 8.4346 124.7956 60.8481 34.3576 173.9397 31 N 5.0250 9.2441 127.6966 52.7852 39.4144 175.1098 32 E 4.2934 9.0778 126.8382 57.4389 30.3478 176.9671 33 R 4.3908 8.1035 115.8966 58.1374 31.2670 177.2011 34 L 4.3038 8.7323 116.2822 54.5461 42.2418 176.3195 35 N 4.4197 8.3665 115.4820 54.5612 36.4429 173.3282 36 L 5.0573 7.8476 115.7482 52.8595 45.5603 175.6043 37 A 5.0949 9.0212 123.4094 50.3270 22.3524 174.5819 38 Y 4.8379 9.3742 119.5455 56.2671 41.1893 175.1022 39 R 4.7074 8.5207 121.8928 54.9290 32.7168 175.4409 40 I 4.2273 7.9847 124.3594 60.2253 38.3448 175.3738 41 D 4.5654 9.1167 129.1860 52.9417 41.1918 175.5360 42 D 4.5457 9.5540 128.9002 55.2501 39.3052 174.4687 43 G 3.9307 8.6268 106.9935 44.8522 0.0000 173.5196 44 I 4.2286 7.2916 120.4746 58.8112 37.6820 173.2246 45 P 4.8316 0.0000 0.0000 62.0744 31.3297 177.5193 46 V 3.8542 8.0530 124.8973 61.8278 29.7803 174.1131 47 L 4.2645 7.9125 123.6336 52.7369 40.8083 175.7448 48 L 4.9874 8.1029 122.1023 52.4338 45.9262 177.3856 49 I 3.9365 8.5257 120.1659 64.1163 37.0305 176.9480 50 D 4.8044 8.0229 115.4069 53.9836 41.6300 175.2957 51 E 4.3110 8.1234 116.7609 56.5849 29.7599 175.1517 52 A 3.8402 7.6132 119.8864 52.0177 19.2893 177.3262 53 T 4.4955 8.4170 117.7209 60.2020 70.1099 173.6163 54 E 4.4617 8.7004 125.6908 56.2584 30.1216 176.0164 55 W 4.9802 8.2647 133.4113 55.1516 34.3095 174.9338 56 T 3.6116 6.7412 118.8034 63.3041 67.9421 172.3214 57 P 4.7710 0.0000 0.0000 61.6424 33.6847 175.0956 58 N 4.5211 8.4394 115.9686 53.7616 39.5728 175.4079 59 N 4.5744 8.3850 119.9302 53.1371 39.3965 174.5419 60 L 4.5504 7.8301 119.9826 52.8408 44.0694 176.6751 61 E 4.0906 8.5731 119.1353 56.9463 29.5186 176.3898 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 4.29 0.00 2.13 2.23 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 2 S 8.37 3.46 0.00 4.13 3.97 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 3 L 8.60 3.67 0.00 1.78 1.71 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 4 D 7.91 4.69 0.00 2.59 2.46 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 0.00 0.00 0.00 5 P 0.00 4.32 0.00 2.22 2.26 0.00 3.73 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 2.04 1.93 0.00 6 Q 7.75 3.85 0.00 2.19 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.99 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 7 L 7.89 4.38 0.00 1.67 1.64 0.91 0.86 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 8 L 6.90 4.22 0.00 1.58 1.38 0.79 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.23 3.63 0.00 2.05 1.97 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 2.20 2.34 0.00 10 V 8.19 4.09 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 0.89 0.00 0.00 0.90 0.00 0.00 11 L 8.39 4.65 0.00 1.60 1.52 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.28 5.15 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 13 C 8.70 3.94 0.00 3.05 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 14 P 0.00 4.25 0.00 2.10 2.08 0.00 3.63 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.96 0.00 15 K 7.98 4.33 0.00 1.80 1.88 0.00 1.78 0.00 0.00 1.67 0.00 0.00 3.16 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.47 7.81 16 D 8.01 4.30 0.00 2.80 2.70 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 17 K 8.09 4.07 0.00 1.91 1.88 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.33 1.40 7.81 18 G 7.46 4.21 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 0.00 19 P 0.00 4.84 0.00 2.09 2.07 0.00 3.77 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 1.99 2.00 0.00 20 L 8.65 4.38 0.00 1.56 1.67 0.70 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 21 R 9.05 4.23 0.00 1.87 1.81 0.00 3.11 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 22 Y 8.68 4.79 0.00 2.96 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 23 L 8.49 4.31 0.00 1.27 1.42 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.77 3.86 0.00 1.96 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 0.00 2.48 2.70 0.00 25 S 8.02 4.27 0.00 3.83 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 26 E 7.51 4.51 0.00 1.81 1.84 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 2.19 2.27 0.00 27 Q 7.73 3.06 0.00 2.21 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.98 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 28 L 7.51 4.71 0.00 1.24 1.06 0.33 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.85 5.07 0.00 1.73 1.63 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.43 4.69 1.99 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 1.04 0.00 0.00 0.42 0.00 0.00 31 N 9.24 5.03 0.00 2.91 2.77 0.00 0.00 6.56 7.63 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 32 E 9.08 4.29 0.00 2.01 1.98 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 2.32 2.38 0.00 33 R 8.10 4.39 0.00 2.01 1.98 0.00 3.27 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 34 L 8.73 4.30 0.00 1.62 1.74 0.98 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 35 N 8.37 4.42 0.00 3.01 2.99 0.00 0.00 6.68 6.33 0.00 0.00 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 L 7.85 5.06 0.00 1.50 1.33 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 37 A 9.02 5.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 9.37 4.84 0.00 2.84 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.52 4.71 0.00 1.76 1.81 0.00 3.11 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 40 I 7.98 4.23 1.87 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.52 0.98 0.00 0.00 41 D 9.12 4.57 0.00 2.69 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.55 4.55 0.00 2.82 2.70 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 43 G 8.63 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 44 I 7.29 4.23 1.99 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 1.30 0.93 0.92 0.00 0.00 45 P 0.00 4.83 0.00 2.02 2.02 0.00 3.67 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 46 V 8.05 3.85 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 0.76 0.00 0.00 0.96 0.00 0.00 47 L 7.91 4.26 0.00 1.56 1.39 0.83 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.10 4.99 0.00 1.66 1.59 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.53 3.94 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 1.34 0.50 0.94 0.00 0.00 50 D 8.02 4.80 0.00 2.59 2.63 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 51 E 8.12 4.31 0.00 1.99 2.02 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 2.30 2.39 0.00 52 A 7.61 3.84 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.42 4.50 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 1.25 0.00 0.00 54 E 8.70 4.46 0.00 1.92 1.89 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 2.32 2.31 0.00 55 W 8.26 4.98 0.00 3.25 2.95 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 0.00 0.00 0.00 56 T 6.74 3.61 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 1.02 0.00 0.00 57 P 0.00 4.77 0.00 2.17 2.09 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.91 0.00 58 N 8.44 4.52 0.00 2.69 2.76 0.00 0.00 6.87 7.79 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 59 N 8.38 4.57 0.00 2.74 2.73 0.00 0.00 6.88 7.84 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 60 L 7.83 4.55 0.00 1.61 1.61 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.57 4.09 0.00 1.90 1.83 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 2.29 2.36 0.00