NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2326 8.2644 123.5371 51.6964 19.8732 177.7112 2 M 3.9358 9.0229 119.1382 60.7019 32.1965 175.4072 3 S 4.2980 8.2479 113.8196 61.4113 64.3482 173.0562 4 Y 4.8568 7.4907 118.9421 56.9379 42.3135 173.1468 5 S 4.5589 6.7605 116.5902 57.4130 66.0746 174.2644 6 L 4.4534 8.4602 121.5366 53.3436 42.6222 176.6619 7 Y 3.9689 8.8938 126.7041 60.6651 39.1566 175.5496 8 G 4.0702 7.6561 105.1736 44.4259 0.0000 172.9201 9 T 4.0506 7.9727 115.3773 67.0661 68.1851 176.5199 10 T 3.9094 7.9723 117.0061 66.8960 68.6626 176.4456 11 L 4.0681 7.7250 119.5639 57.5170 41.4933 178.8877 12 E 4.0099 8.0558 119.1074 59.4058 29.1239 178.7439 13 Q 3.8914 7.7013 117.2163 59.1068 28.8260 178.6256 14 Q 4.2252 7.8919 119.0498 59.6118 29.5804 177.6134 15 Y 4.4299 8.2434 116.6685 60.2626 37.8545 177.0699 16 N 4.3411 8.8965 119.2107 56.5540 39.0101 176.4775 17 K 4.1560 8.0732 119.6852 58.3512 32.8063 177.3297 18 P 4.8726 0.0000 0.0000 62.3486 32.5035 176.7179 19 L 3.8382 7.7701 122.5769 59.4329 42.0112 177.4839 20 S 4.2092 7.9405 113.3199 61.5806 63.0830 175.0570 21 D 4.3895 7.9364 118.3901 56.9029 41.1975 176.6072 22 L 4.0510 7.5498 118.0120 54.0048 42.2530 175.8772 23 L 4.4240 8.2709 123.8245 53.6325 42.9015 175.7166 24 I 4.0452 7.8950 126.4870 59.3540 39.6210 174.6942 25 R 4.6005 8.3229 123.2577 55.0212 33.1500 173.8488 26 C 4.2120 7.9607 116.5173 59.9971 28.5161 175.5425 27 I 4.0305 8.7681 123.2853 62.7094 38.0188 176.0656 28 N 5.2863 7.9212 113.5773 53.3732 39.2641 175.4363 29 C 4.2039 8.2912 115.1812 60.7000 28.7398 173.5559 30 Q 3.4642 7.6021 116.8388 56.9731 26.6705 173.3576 31 K 4.8576 7.6251 114.8804 53.3679 34.8997 174.3760 32 P 4.3608 0.0000 0.0000 63.2947 31.3754 175.2872 33 L 4.5618 8.2353 123.2871 52.8391 43.4943 176.0108 34 S 4.2140 8.5893 121.4486 57.5938 63.3868 173.3494 35 P 4.2968 0.0000 0.0000 65.1782 30.7192 178.2584 36 E 3.7571 7.8586 119.4104 59.4763 29.3514 178.9369 37 E 3.8410 8.4096 119.1043 59.2103 29.4117 179.5123 38 K 3.6522 7.6948 118.0937 59.1998 32.0539 178.9076 39 Q 3.8282 8.6044 120.7141 59.3255 29.0202 178.7238 40 R 3.9671 7.4849 120.1095 58.8535 30.0133 178.7565 41 H 3.9375 7.6659 115.9522 58.8945 28.4752 177.9223 42 L 3.9060 8.4712 121.8130 57.6720 40.8248 179.2299 43 D 4.6638 8.6236 120.9806 54.8463 41.8592 175.9064 44 K 5.0511 6.8355 121.6896 56.4212 34.6816 173.2523 45 K 4.1124 8.1498 122.6301 55.1151 33.4704 176.3472 46 Q 3.8593 8.5503 126.7440 59.2386 29.0205 177.2712 47 R 4.3099 7.5011 115.2419 55.3217 34.1094 174.1722 48 F 5.1836 8.5400 126.1042 56.7470 41.8396 173.9151 49 H 4.9011 8.4762 122.1474 53.7462 32.1143 172.0734 50 N 3.2785 8.5314 120.9987 51.1958 40.8552 173.4472 51 I 4.3911 7.7144 127.1479 58.8628 39.9749 175.8768 52 R 3.8545 8.4625 123.0014 57.7990 30.3931 178.9236 53 G 4.3069 8.9064 108.2257 46.3174 0.0000 173.7064 54 R 4.6461 8.1855 119.6216 54.0455 33.4290 173.5178 55 W 4.6141 8.6251 133.3544 55.7395 33.5418 174.0908 56 T 4.8990 9.0556 117.3972 59.6801 70.6887 175.0104 57 G 4.8492 8.3572 119.6712 46.0112 0.0000 174.4571 58 R 3.9426 8.4335 119.8031 59.3570 30.8199 177.1659 59 C 4.1807 8.2558 117.7950 62.6338 31.4547 174.9248 60 M 4.1085 8.2164 120.2333 58.7432 31.5019 178.3672 61 S 4.2130 8.3021 113.8705 61.5401 63.1897 175.9765 62 C 4.3030 8.3901 120.3842 60.8648 28.1011 173.8561 63 S 4.8759 7.3197 113.0235 56.2412 65.4971 173.4050 64 R 4.7535 8.3393 119.3443 54.5280 33.3120 175.2315 65 S 4.8743 8.4675 115.6246 56.8322 65.9293 173.8409 66 S 4.7962 8.3387 118.3347 56.7227 65.7935 174.3487 67 R 4.1353 8.4679 121.9325 56.6129 29.8519 176.1105 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 A 8.26 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 M 9.02 3.94 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.60 0.00 3 S 8.25 4.30 0.00 4.04 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 4 Y 7.49 4.86 0.00 3.12 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 5 S 6.76 4.56 0.00 4.00 3.82 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 6 L 8.46 4.45 0.00 2.08 1.76 1.07 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.89 3.97 0.00 2.97 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 8 G 7.66 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.97 4.05 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 1.29 0.00 0.00 10 T 7.97 3.91 4.28 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 1.23 0.00 0.00 11 L 7.72 4.07 0.00 1.85 1.66 0.98 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.06 4.01 0.00 2.08 2.17 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 2.37 2.42 0.00 13 Q 7.70 3.89 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.43 2.73 0.00 14 Q 7.89 4.23 0.00 2.24 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.12 0.00 0.00 0.00 0.00 0.00 2.67 2.55 0.00 15 Y 8.24 4.43 0.00 3.15 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 16 N 8.90 4.34 0.00 2.83 3.01 0.00 0.00 7.15 6.58 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 17 K 8.07 4.16 0.00 1.81 1.85 0.00 1.82 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.50 7.81 18 P 0.00 4.87 0.00 2.20 2.18 0.00 3.94 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 1.91 1.97 0.00 19 L 7.77 3.84 0.00 1.86 1.75 1.00 0.72 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 20 S 7.94 4.21 0.00 3.87 3.89 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 21 D 7.94 4.39 0.00 2.56 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 22 L 7.55 4.05 0.00 1.49 1.10 -0.59 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.27 4.42 0.00 1.62 1.67 1.11 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.90 4.05 1.72 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 0.97 0.77 0.79 0.00 0.00 25 R 8.32 4.60 0.00 1.77 1.83 0.00 3.29 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.82 0.00 26 C 7.96 4.21 0.00 3.17 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 27 I 8.77 4.03 1.90 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 1.10 1.16 0.93 0.00 0.00 28 N 7.92 5.29 0.00 2.80 2.87 0.00 0.00 6.45 7.70 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 29 C 8.29 4.20 0.00 3.01 3.06 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 30 Q 7.60 3.46 0.00 2.44 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.39 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 31 K 7.63 4.86 0.00 1.86 1.71 0.00 1.63 0.00 0.00 1.88 0.00 0.00 3.14 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.46 7.81 32 P 0.00 4.36 0.00 2.17 2.08 0.00 3.75 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 33 L 8.24 4.56 0.00 1.64 1.62 1.06 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.59 4.21 0.00 4.03 3.99 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 0.00 0.00 0.00 0.00 35 P 0.00 4.30 0.00 2.24 2.32 0.00 3.67 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 36 E 7.86 3.76 0.00 1.91 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 0.00 2.30 2.47 0.00 37 E 8.41 3.84 0.00 2.09 1.94 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 2.30 2.32 0.00 38 K 7.69 3.65 0.00 1.83 1.74 0.00 1.63 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.59 1.63 7.81 39 Q 8.60 3.83 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.92 0.00 0.00 0.00 0.00 0.00 2.30 2.71 0.00 40 R 7.48 3.97 0.00 1.84 1.88 0.00 3.14 0.00 0.00 3.20 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 41 H 7.67 3.94 0.00 2.53 1.82 0.00 5.64 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 42 L 8.47 3.91 0.00 1.61 2.00 0.92 1.01 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 43 D 8.62 4.66 0.00 2.75 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 44 K 6.84 5.05 0.00 1.70 1.66 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.14 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.19 1.12 7.81 45 K 8.15 4.11 0.00 1.69 1.54 0.00 1.84 0.00 0.00 2.01 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.31 7.81 46 Q 8.55 3.86 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.47 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 47 R 7.50 4.31 0.00 1.71 1.71 0.00 3.31 0.00 0.00 3.30 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 48 F 8.54 5.18 0.00 3.12 3.22 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 49 H 8.48 4.90 0.00 2.91 2.98 0.00 5.62 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.53 3.28 0.00 1.87 2.64 0.00 0.00 5.19 7.78 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 51 I 7.71 4.39 1.92 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.93 0.84 0.00 0.00 52 R 8.46 3.85 0.00 1.85 1.86 0.00 3.26 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 53 G 8.91 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.19 4.65 0.00 1.74 1.69 0.00 3.04 0.00 0.00 3.07 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 55 W 8.63 4.61 0.00 3.47 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 56 T 9.06 4.90 4.20 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 1.14 0.00 0.00 57 G 8.36 4.85 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 0.00 0.00 0.00 58 R 8.43 3.94 0.00 2.06 2.10 0.00 3.30 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.78 0.00 59 C 8.26 4.18 0.00 3.07 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 60 M 8.22 4.11 0.00 2.27 2.10 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.58 0.00 61 S 8.30 4.21 0.00 4.05 4.02 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 62 C 8.39 4.30 0.00 3.12 3.06 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 63 S 7.32 4.88 0.00 3.96 3.80 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 0.00 0.00 0.00 0.00 64 R 8.34 4.75 0.00 1.78 1.84 0.00 3.16 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 65 S 8.47 4.87 0.00 3.82 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.34 4.80 0.00 3.81 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.47 4.14 0.00 1.77 1.80 0.00 3.27 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00