NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2827 8.3049 120.3484 56.4587 33.5128 175.9497 2 P 4.0005 0.0000 0.0000 60.7613 31.3935 174.6453 3 R 4.8778 9.3999 125.9427 55.0280 32.2220 175.2580 4 L 4.6403 10.8200 123.9803 53.0859 44.5631 175.7543 5 K 4.9361 9.5588 124.8723 54.7887 34.1892 175.1590 6 V 5.4336 9.0507 126.9741 59.2916 34.4567 174.4589 7 K 5.8240 8.2390 121.3764 53.8229 36.7360 173.5348 8 L 4.8578 8.0468 122.6410 53.5881 43.9539 175.3889 9 V 4.3471 8.2006 117.3451 61.3613 36.2522 172.7081 10 K 3.5331 8.8464 123.4264 55.9410 29.6662 173.0477 11 S 3.9603 8.0953 115.1275 57.6882 62.9386 173.5426 12 P 4.4340 0.0000 0.0000 63.2083 30.5674 175.1074 13 I 3.8513 7.7889 120.7248 63.9236 36.5772 176.5612 14 G 3.8797 8.9507 113.9936 45.4894 0.0000 172.2687 15 Y 4.2710 8.4683 117.2947 57.2039 38.7088 173.0275 16 P 4.1241 0.0000 0.0000 60.0532 34.2958 174.4479 17 K 3.6766 9.7815 117.7808 59.4146 30.4947 179.6631 18 D 3.7787 8.8128 112.8152 53.6616 43.7016 178.5510 19 Q 3.5337 7.3456 116.0244 58.1947 29.4560 179.3253 20 K 3.6991 8.9115 119.6393 59.3988 31.6289 178.7402 21 A 3.9715 8.6609 120.6775 55.6950 17.8414 179.4245 22 A 4.1280 7.5289 118.9820 56.1274 18.3648 178.6597 23 L 4.1756 10.2041 118.1651 56.6026 41.3914 178.8100 24 K 3.9477 8.0119 123.9686 59.8496 32.6461 177.8591 25 A 4.0399 9.8720 122.7354 52.7831 17.7196 179.3717 26 L 3.8884 6.8286 122.0004 54.6419 43.4128 177.8103 27 G 4.0028 8.8460 107.3408 46.2649 0.0000 171.8138 28 L 4.7102 7.8136 120.8113 53.3069 44.0125 177.9437 29 R 4.5942 7.8882 133.2077 54.9454 28.7961 177.8462 30 R 3.8401 8.6152 125.3642 56.4578 29.9207 175.4817 31 L 4.0041 8.6225 119.4821 55.9279 43.6716 177.1961 32 Q 3.8623 7.0859 114.2643 57.5815 26.7790 173.3938 33 Q 4.7475 7.8134 121.2384 54.9909 33.5266 174.2942 34 E 5.2807 8.6250 120.2927 54.6244 32.1669 175.9435 35 R 4.8533 9.0948 122.2208 54.6085 34.9488 174.5569 36 V 5.6033 8.0492 112.0805 59.5220 35.8483 174.5667 37 L 4.5519 7.9814 121.1190 54.0153 46.4871 174.0627 38 E 4.3859 8.8773 119.3208 56.3941 29.9705 176.9942 39 D 3.8957 9.9454 121.3919 55.1666 39.4987 178.1280 40 T 3.2689 8.2218 115.3101 61.4385 65.2332 170.8838 41 P 4.1881 0.0000 0.0000 65.5444 33.1178 178.4097 42 A 4.0872 8.5979 110.7008 54.6136 17.7373 179.7508 43 I 3.5015 8.3679 122.8063 64.8669 37.2058 176.2526 44 R 3.8254 8.4039 117.3827 57.6509 29.8164 180.4246 45 G 3.6740 10.9990 95.2193 46.3805 0.0000 176.8254 46 N 3.3101 9.0585 116.4262 52.5454 41.9498 174.1809 47 V 3.4113 7.1869 120.8806 66.6125 32.5126 177.3964 48 E 3.7497 8.9744 116.5467 59.7718 28.8432 179.4595 49 K 4.1579 7.8760 122.3186 58.6568 32.9596 178.7162 50 V 3.3563 8.3438 111.6499 63.5335 31.9137 178.4104 51 A 3.8051 12.0000 115.1887 51.8741 21.2746 181.4311 52 H 3.8852 8.2903 115.9804 60.3637 29.7364 175.7874 53 L 4.0167 10.1161 122.1504 56.5951 43.2284 176.5595 54 V 4.4957 6.7973 112.9224 60.8283 40.0739 176.6765 55 R 4.5944 8.6354 130.3169 55.5704 33.1068 172.1895 56 V 4.6348 8.4657 125.7045 61.3265 33.6901 174.3475 57 E 4.6312 8.5120 126.5144 54.3288 33.1819 174.5116 58 V 4.0426 8.5225 127.0045 61.9501 31.5474 174.4194 59 V 4.3813 9.8060 134.7628 61.3112 34.4148 175.2304 60 E 4.7202 8.7923 117.8028 57.1193 30.3660 176.2148 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 4.28 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 2 P 0.00 4.00 0.00 2.20 2.00 0.00 3.63 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 2.11 2.17 0.00 3 R 9.40 4.88 0.00 1.92 1.84 0.00 3.10 0.00 0.00 3.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 4 L 10.82 4.64 0.00 1.59 1.55 0.91 0.55 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 5 K 9.56 4.94 0.00 1.73 1.72 0.00 1.60 0.00 0.00 1.88 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.34 7.81 6 V 9.05 5.43 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 0.82 0.00 0.00 0.90 0.00 0.00 7 K 8.24 5.82 0.00 1.80 1.66 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.36 7.81 8 L 8.05 4.86 0.00 1.86 1.50 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.20 4.35 2.06 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 0.56 0.00 0.00 0.95 0.00 0.00 10 K 8.85 3.53 0.00 1.77 1.66 0.00 1.72 0.00 0.00 1.41 0.00 0.00 2.63 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.03 1.30 7.81 11 S 8.10 3.96 0.00 3.89 3.81 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 12 P 0.00 4.43 0.00 2.32 2.24 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 13 I 7.79 3.85 2.06 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.87 0.96 0.00 0.00 14 G 8.95 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 8.47 4.27 0.00 3.03 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 16 P 0.00 4.12 0.00 2.23 1.90 0.00 3.98 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 2.13 2.20 0.00 17 K 9.78 3.68 0.00 1.83 1.24 0.00 1.63 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.54 7.81 18 D 8.81 3.78 0.00 2.84 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 7.35 3.53 0.00 2.44 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.63 0.00 0.00 0.00 0.00 0.00 2.50 2.59 0.00 20 K 8.91 3.70 0.00 1.89 1.88 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.37 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.66 7.81 21 A 8.66 3.97 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 7.53 4.13 1.46 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 0.00 0.00 23 L 10.20 4.18 0.00 1.64 1.59 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.01 3.95 0.00 1.75 1.86 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.52 7.81 25 A 9.87 4.04 1.30 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 0.00 0.00 0.00 26 L 6.83 3.89 0.00 1.66 1.73 0.91 1.05 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 27 G 8.85 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.81 4.71 0.00 1.65 1.56 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.89 4.59 0.00 1.79 1.46 0.00 3.42 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 30 R 8.62 3.84 0.00 1.91 2.01 0.00 3.20 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 31 L 8.62 4.00 0.00 1.70 1.62 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 7.09 3.86 0.00 2.24 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.57 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 33 Q 7.81 4.75 0.00 2.19 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.79 0.00 0.00 0.00 0.00 0.00 2.23 2.43 0.00 34 E 8.62 5.28 0.00 1.84 1.81 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 2.18 2.29 0.00 35 R 9.09 4.85 0.00 1.65 1.75 0.00 3.22 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 36 V 8.05 5.60 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 0.86 0.00 0.00 0.93 0.00 0.00 37 L 7.98 4.55 0.00 1.55 1.53 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.88 4.39 0.00 1.83 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 2.29 2.36 0.00 39 D 9.95 3.90 0.00 2.63 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 40 T 8.22 3.27 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 1.28 0.00 0.00 41 P 0.00 4.19 0.00 2.21 2.12 0.00 3.68 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 2.12 2.12 0.00 42 A 8.60 4.09 1.03 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 0.00 0.00 43 I 8.37 3.50 1.87 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 0.74 0.91 0.00 0.00 44 R 8.40 3.83 0.00 2.09 1.99 0.00 3.28 0.00 0.00 3.22 8.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 45 G 11.00 3.67 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 0.00 0.00 0.00 46 N 9.06 3.31 0.00 2.88 2.68 0.00 0.00 6.49 7.71 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 47 V 7.19 3.41 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 0.89 0.00 0.00 0.95 0.00 0.00 48 E 8.97 3.75 0.00 2.16 2.13 0.00 0.00 0.00 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 2.49 0.00 49 K 7.88 4.16 0.00 1.72 2.05 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.54 7.81 50 V 8.34 3.36 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 0.80 0.00 0.00 1.54 0.00 0.00 51 A 12.00 3.81 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 52 H 8.29 3.89 0.00 3.22 3.46 0.00 5.77 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 10.12 4.02 0.00 1.74 1.63 0.88 0.80 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 54 V 6.80 4.50 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 0.69 0.00 0.00 0.92 0.00 0.00 55 R 8.64 4.59 0.00 1.86 1.69 0.00 3.06 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 56 V 8.47 4.63 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 0.81 0.00 0.00 0.92 0.00 0.00 57 E 8.51 4.63 0.00 2.04 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 2.18 2.22 0.00 58 V 8.52 4.04 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 0.79 0.00 0.00 0.93 0.00 0.00 59 V 9.81 4.38 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 0.94 0.00 0.00 60 E 8.79 4.72 0.00 1.99 1.81 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 2.06 2.07 0.00