NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 M 4.4210 8.3049 120.3258 54.6472 32.4026 174.0670 4 S 4.0795 7.3519 113.8522 57.3426 64.9353 172.2823 5 A 4.1869 7.6525 122.1728 52.0267 20.8783 175.0441 6 K 4.2200 8.1170 119.2416 56.8207 34.6636 174.8517 7 E 3.9818 8.9032 119.0575 56.9250 29.2558 175.3424 8 L 4.5890 7.8866 122.2627 54.5726 45.2712 177.8532 9 R 4.6785 7.0886 118.7462 56.2605 33.2765 174.4195 10 C 4.5799 7.8672 117.4540 56.1950 41.4247 175.1550 11 Q 3.7015 8.8910 126.2036 58.6444 28.6944 177.0263 12 C 4.7905 7.7669 116.1030 54.4758 45.8024 173.4517 13 V 3.8944 8.3944 127.2011 61.7943 32.1154 175.8225 14 K 3.7308 8.4199 126.6482 55.8547 32.3951 174.2247 15 T 4.2711 8.1528 117.3968 63.3189 70.0341 176.3025 16 T 4.3855 8.1632 125.3216 63.0921 67.3060 176.2255 17 S 4.4621 7.7059 116.8551 59.4383 63.7263 176.7627 18 Q 4.0472 7.4596 118.2395 58.5640 28.2826 177.4779 19 V 4.0553 7.1424 116.5448 61.6751 32.5858 174.8718 20 R 4.5701 8.1850 125.6103 53.8397 31.6833 173.8084 21 P 4.4712 0.0000 0.0000 62.5898 31.5452 174.5287 22 R 4.1353 7.5153 130.7458 56.9629 34.7724 174.1672 23 H 4.6372 7.2841 112.2564 55.8627 29.1057 175.0299 24 I 3.9393 7.5747 120.6949 62.2628 37.9502 174.8461 25 T 4.5099 8.3449 115.8015 63.4064 69.6150 173.8361 26 S 4.8436 7.7395 113.7721 57.8443 67.2813 174.3669 27 L 5.0566 8.3202 121.0617 54.5001 43.4316 175.3183 28 E 4.4552 8.8782 120.5550 55.7499 31.7270 175.8522 29 V 4.3309 8.2642 121.2746 61.3063 33.3836 173.9527 30 I 4.4936 8.3125 128.2995 59.1499 39.8772 176.0818 31 K 4.5775 8.4289 127.1714 55.4441 34.1839 175.8194 32 A 4.8612 7.9003 123.1152 51.0910 17.8025 178.2667 33 G 3.8398 8.2079 118.3287 45.8793 0.0000 170.3752 34 P 4.3548 0.0000 0.0000 65.8694 32.2615 178.3924 35 H 4.3464 7.9950 115.1965 56.6310 28.9551 174.8919 36 C 5.3204 7.3561 119.5868 53.7390 43.4140 172.0381 37 P 4.2075 0.0000 0.0000 64.1918 31.6740 177.1190 38 T 4.4620 7.4937 113.3497 60.5328 68.7924 174.0423 39 A 3.9817 8.5252 128.4038 52.4426 19.2893 176.9873 40 Q 4.3845 8.8591 124.3730 54.2548 30.7198 173.1940 41 L 4.9406 8.2541 128.1817 53.1565 44.7258 175.1439 42 I 4.7471 8.2812 125.3902 59.7434 41.4169 173.7909 43 A 5.0176 8.4204 123.3931 51.4216 23.3755 174.8875 44 T 5.4960 8.6588 112.9520 62.1637 73.2578 174.6046 45 L 4.9569 8.2807 125.4198 52.9722 43.9424 176.3379 46 K 4.0167 8.0978 117.9538 59.7829 32.8586 176.9567 47 N 4.6248 8.1527 117.7379 51.6165 37.4166 171.6408 48 G 4.5086 7.8377 114.8772 45.0188 0.0000 170.3327 49 R 4.7477 8.9209 121.8572 54.9438 33.1876 175.1660 50 K 5.4108 8.5781 115.4555 55.3573 37.0820 175.5004 51 I 4.7406 7.6362 117.7301 60.3727 41.3068 173.9325 52 C 5.2115 8.0793 109.3260 55.0260 45.0933 173.2928 53 L 5.2331 8.3385 120.2390 53.5943 45.6086 174.9500 54 D 4.7475 8.5700 119.4626 52.6377 41.3566 175.8576 55 L 3.6307 8.0042 116.5218 54.5627 43.0612 175.5443 56 Q 4.5649 8.1295 115.1955 55.0936 29.9052 173.9955 57 A 4.8129 7.8304 118.4320 48.7164 22.3645 175.3924 58 P 4.4425 0.0000 0.0000 63.6309 31.4242 178.0297 59 L 3.8125 7.5840 121.1369 58.7751 42.2443 178.3778 60 Y 4.2601 7.7614 114.4767 59.4272 37.9846 177.9104 61 K 3.2814 6.7143 120.7620 59.2098 32.5407 179.1269 62 K 4.0249 7.7379 119.8256 58.9491 31.9375 179.0866 63 I 3.7263 7.4142 120.1689 64.3111 37.2471 178.0302 64 I 3.7203 7.9007 120.3609 64.6061 37.0198 178.8133 65 K 4.0034 8.0425 119.1324 59.2725 31.6044 179.4868 66 K 4.0971 7.8004 117.8466 58.7761 32.0232 178.8083 67 L 4.2462 7.5937 118.5037 56.8229 41.5716 178.8103 68 L 4.1688 7.8452 119.6962 57.4684 41.4600 178.7536 69 E 3.9485 7.8451 116.6890 58.7364 29.1585 177.1054 70 S 4.2758 7.6102 117.4664 58.1766 62.6537 173.1487 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 M 8.30 4.42 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.63 0.00 4 S 7.35 4.08 0.00 3.89 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 A 7.65 4.19 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 6 K 8.12 4.22 0.00 1.81 1.76 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.20 1.34 7.81 7 E 8.90 3.98 0.00 1.98 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 0.00 2.32 2.34 0.00 8 L 7.89 4.59 0.00 1.64 1.52 0.94 0.95 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 9 R 7.09 4.68 0.00 1.74 1.73 0.00 3.29 0.00 0.00 3.21 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 10 C 7.87 4.58 0.00 3.00 3.02 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 11 Q 8.89 3.70 0.00 2.01 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 12 C 7.77 4.79 0.00 2.93 2.90 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 0.00 0.00 0.00 13 V 8.39 3.89 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 0.83 0.00 0.00 0.93 0.00 0.00 14 K 8.42 3.73 0.00 1.89 1.82 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.44 7.81 15 T 8.15 4.27 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 1.28 0.00 0.00 16 T 8.16 4.39 4.46 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 1.24 0.00 0.00 17 S 7.71 4.46 0.00 3.90 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 18 Q 7.46 4.05 0.00 2.26 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 19 V 7.14 4.06 2.10 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 0.73 0.00 0.00 0.94 0.00 0.00 20 R 8.18 4.57 0.00 1.81 1.80 0.00 3.29 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 21 P 0.00 4.47 0.00 2.21 2.05 0.00 3.88 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 1.97 1.98 0.00 22 R 7.52 4.14 0.00 1.68 1.47 0.00 3.16 0.00 0.00 3.16 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.41 0.00 23 H 7.28 4.64 0.00 3.19 3.31 0.00 5.64 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.57 3.94 1.88 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 1.25 0.83 0.92 0.00 0.00 25 T 8.34 4.51 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 1.31 0.00 0.00 26 S 7.74 4.84 0.00 3.77 3.68 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 0.00 0.00 0.00 0.00 27 L 8.32 5.06 0.00 1.73 1.60 1.03 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.88 4.46 0.00 1.96 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 2.29 2.25 0.00 29 V 8.26 4.33 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 0.85 0.00 0.00 0.94 0.00 0.00 30 I 8.31 4.49 2.05 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 1.11 0.77 0.90 0.00 0.00 31 K 8.43 4.58 0.00 1.74 1.71 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.41 7.81 32 A 7.90 4.86 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.21 3.84 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 0.00 0.00 0.00 34 P 0.00 4.35 0.00 2.23 2.27 0.00 3.56 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.94 0.00 35 H 7.99 4.35 0.00 3.40 3.62 0.00 5.40 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 C 7.36 5.32 0.00 2.95 2.85 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 37 P 0.00 4.21 0.00 2.20 2.14 0.00 3.79 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 1.97 1.94 0.00 38 T 7.49 4.46 4.23 0.00 0.00 0.00 0.00 0.00 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 39 A 8.53 3.98 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.86 4.38 0.00 2.13 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 41 L 8.25 4.94 0.00 1.70 1.65 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.28 4.75 2.02 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 1.26 1.01 1.01 0.00 0.00 43 A 8.42 5.02 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.66 5.50 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 1.27 0.00 0.00 45 L 8.28 4.96 0.00 1.53 1.64 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.10 4.02 0.00 1.97 2.16 0.00 1.59 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.41 7.81 47 N 8.15 4.62 0.00 2.85 2.82 0.00 0.00 7.02 7.56 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 48 G 7.84 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.92 4.75 0.00 1.95 2.04 0.00 2.86 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 50 K 8.58 5.41 0.00 1.70 1.70 0.00 1.63 0.00 0.00 2.42 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.33 1.54 7.81 51 I 7.64 4.74 1.88 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 1.41 0.64 0.92 0.00 0.00 52 C 8.08 5.21 0.00 3.21 3.17 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 0.00 0.00 0.00 0.00 53 L 8.34 5.23 0.00 1.48 1.66 0.97 1.09 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 54 D 8.57 4.75 0.00 2.74 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 55 L 8.00 3.63 0.00 1.28 1.26 -0.22 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 8.13 4.56 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.56 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 57 A 7.83 4.81 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.44 0.00 2.25 2.27 0.00 3.74 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 2.02 0.00 59 L 7.58 3.81 0.00 1.95 1.95 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 7.76 4.26 0.00 3.29 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 K 6.71 3.28 0.00 1.55 1.59 0.00 1.19 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.31 7.81 62 K 7.74 4.02 0.00 1.97 1.85 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.58 7.81 63 I 7.41 3.73 2.06 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.56 0.96 0.00 0.00 64 I 7.90 3.72 1.77 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.82 0.92 0.00 0.00 65 K 8.04 4.00 0.00 1.89 1.81 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.52 7.81 66 K 7.80 4.10 0.00 1.99 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.62 7.81 67 L 7.59 4.25 0.00 1.80 1.72 0.97 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 68 L 7.85 4.17 0.00 1.84 1.69 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 69 E 7.85 3.95 0.00 2.10 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 0.00 2.30 2.46 0.00 70 S 7.61 4.28 0.00 3.81 3.71 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