NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5652 8.1633 120.6854 55.0016 34.0073 173.9363 2 I 4.8404 8.2510 121.2741 59.1520 39.4434 173.9191 3 I 4.0264 9.1376 130.0779 61.0310 38.8573 174.4819 4 N 5.1728 8.7763 124.8374 51.8065 40.9695 173.3865 5 N 4.8486 8.8184 123.7809 53.0680 39.4205 176.8237 6 L 3.7711 8.2404 123.1662 58.0541 41.9773 178.8835 7 K 3.8720 7.9022 118.9570 59.4911 32.2204 178.4095 8 L 3.9452 7.8193 118.6251 57.9585 41.4765 179.5722 9 I 3.6600 7.7695 119.5169 64.3021 36.9393 178.3418 10 R 3.8994 8.2153 119.9025 59.6814 29.9976 178.4175 11 E 4.0470 8.5480 120.8295 59.9432 29.2094 180.1521 12 K 4.0827 7.8622 122.9099 59.2704 31.8511 180.5873 13 K 4.4430 7.6551 116.0911 55.3589 32.7721 176.7009 14 K 3.8008 7.5797 117.6618 57.6108 30.2080 175.2248 15 I 4.4138 7.3007 118.2358 59.3762 39.2330 177.3469 16 S 4.4108 8.8886 120.8546 57.9618 65.0066 175.2275 17 Q 4.0246 8.6345 121.6724 59.5143 28.4122 179.6801 18 S 4.1353 7.9606 115.4942 61.6120 62.9715 176.4465 19 E 3.9537 8.1665 121.3527 59.1448 29.2032 179.1624 20 L 3.8574 8.0182 120.2090 58.0814 42.1948 178.7398 21 A 3.9877 8.3725 120.9247 55.1961 18.1111 179.4969 22 A 3.8982 7.9972 119.1659 55.3189 18.2446 179.8665 23 L 3.6279 7.4968 116.3802 57.4524 41.6435 179.0607 24 L 4.2243 7.6146 116.6582 54.1235 42.6138 176.2471 25 E 3.7733 7.6485 117.6411 57.7794 27.3465 173.9187 26 V 4.5546 7.5315 109.2814 58.9090 36.2181 176.2116 27 S 4.2409 8.3315 115.4236 58.1731 62.9891 174.9751 28 R 3.9514 8.7250 126.1212 59.8158 29.6669 178.7655 29 Q 4.0338 8.1247 117.7318 59.3296 28.6849 179.1664 30 T 4.1411 7.8415 116.3018 66.6826 68.4513 176.8805 31 I 3.7894 7.7722 121.2911 64.3912 37.2359 177.7838 32 N 4.3753 8.5555 118.2514 56.6052 38.7733 177.0761 33 G 3.5531 8.4158 108.8144 47.2312 0.0000 175.7194 34 I 3.9296 7.7130 123.6744 63.6740 36.9406 178.3922 35 E 4.0314 8.2056 118.3190 58.8705 29.2828 178.5670 36 K 4.3112 7.7218 115.9484 55.2086 32.3321 175.9722 37 N 4.2171 7.8538 116.2610 54.6053 37.8015 175.6935 38 K 4.0750 7.8428 118.3905 58.6686 32.2361 176.7369 39 Y 4.7489 6.7680 114.0014 56.4568 40.1650 172.5454 40 N 5.0038 8.6027 118.0630 50.8595 40.5510 173.5844 41 P 4.5356 0.0000 0.0000 61.9342 32.5163 176.6035 42 S 4.2725 8.2887 114.3615 58.0806 64.6727 174.9995 43 L 3.8309 8.2999 123.3432 58.4225 41.7817 178.7841 44 Q 3.9242 7.9848 118.9030 59.1727 28.9973 177.8656 45 L 3.9966 7.9370 120.9391 58.0054 42.1270 178.7782 46 A 4.0847 8.2002 120.9407 55.1795 18.2896 179.6406 47 L 4.0594 8.3360 117.8749 57.8424 41.6195 179.9145 48 K 4.1144 8.3738 118.6293 59.3958 31.9945 179.4445 49 I 3.8763 8.2467 120.0895 64.4969 37.0880 178.3322 50 A 4.0822 8.2814 121.5760 55.1708 18.2709 179.0440 51 Y 3.8368 8.2129 118.0016 61.2352 38.7430 178.0135 52 Y 4.1653 8.1086 115.5889 59.9179 38.0996 177.0306 53 L 4.4230 7.9557 117.9142 53.3372 42.7108 175.7965 54 N 4.1111 7.7144 115.2643 54.3473 36.7836 174.5478 55 T 4.6592 7.7829 111.8321 60.8313 72.9745 172.9617 56 P 4.3180 0.0000 0.0000 62.8405 32.2090 177.0702 57 L 4.0910 8.7674 123.5219 58.5469 41.8036 179.0907 58 E 4.5538 8.0456 117.6520 58.1743 29.6013 178.1607 59 D 4.5228 7.9934 118.1254 56.1216 41.2278 177.9007 60 I 4.1036 7.4938 119.9317 61.5475 37.7412 174.8983 61 F 5.3260 8.1798 120.0137 55.8967 41.8722 174.6771 62 Q 4.8120 9.3620 124.8522 53.9003 30.5954 174.8157 63 W 5.1667 8.9303 134.7462 56.5266 32.0955 175.3706 64 Q 4.1350 7.5256 124.7888 53.0157 31.2553 173.9592 65 P 3.5721 0.0000 0.0000 63.1006 32.2008 176.2996 66 E 4.0649 8.5296 118.7159 57.0637 29.2439 174.6022 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 8.16 4.57 0.00 1.73 2.01 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 I 8.25 4.84 2.01 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.46 1.15 0.00 0.00 3 I 9.14 4.03 1.89 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 1.10 0.61 0.90 0.00 0.00 4 N 8.78 5.17 0.00 2.78 2.69 0.00 0.00 6.98 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 5 N 8.82 4.85 0.00 2.71 2.69 0.00 0.00 6.21 6.78 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 6 L 8.24 3.77 0.00 1.47 1.65 0.90 0.49 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 7 K 7.90 3.87 0.00 1.83 1.75 0.00 1.76 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.52 7.81 8 L 7.82 3.95 0.00 1.85 1.67 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.77 3.66 1.81 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 1.37 0.68 0.88 0.00 0.00 10 R 8.22 3.90 0.00 1.93 2.07 0.00 3.34 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.69 0.00 11 E 8.55 4.05 0.00 2.27 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 2.32 2.38 0.00 12 K 7.86 4.08 0.00 1.88 1.73 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.35 7.81 13 K 7.66 4.44 0.00 1.78 1.87 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.63 7.81 14 K 7.58 3.80 0.00 2.16 1.85 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.39 1.26 7.81 15 I 7.30 4.41 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 1.36 0.77 0.92 0.00 0.00 16 S 8.89 4.41 0.00 4.05 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 17 Q 8.63 4.02 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.95 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 18 S 7.96 4.14 0.00 3.86 3.90 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 19 E 8.17 3.95 0.00 2.02 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 2.31 2.30 0.00 20 L 8.02 3.86 0.00 1.78 1.66 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.37 3.99 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 3.90 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.50 3.63 0.00 1.26 0.24 0.81 0.85 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 24 L 7.61 4.22 0.00 1.76 1.75 1.02 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.65 3.77 0.00 2.07 2.00 0.00 0.00 0.00 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 2.24 0.00 26 V 7.53 4.55 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 0.69 0.00 0.00 0.96 0.00 0.00 27 S 8.33 4.24 0.00 3.86 3.75 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 28 R 8.73 3.95 0.00 1.92 1.93 0.00 3.25 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 29 Q 8.12 4.03 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.59 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 30 T 7.84 4.14 4.47 0.00 0.00 0.00 0.00 0.00 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 31 I 7.77 3.79 2.03 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.89 0.94 0.00 0.00 32 N 8.56 4.38 0.00 3.05 2.98 0.00 0.00 7.14 8.63 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 33 G 8.42 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.71 3.93 2.10 0.00 0.00 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 1.74 1.60 1.17 0.00 0.00 35 E 8.21 4.03 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.57 0.00 36 K 7.72 4.31 0.00 1.64 1.77 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.61 7.81 37 N 7.85 4.22 0.00 2.82 2.85 0.00 0.00 7.12 6.03 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 38 K 7.84 4.08 0.00 0.95 1.68 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.26 7.81 39 Y 6.77 4.75 0.00 3.04 3.04 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 0.00 0.00 0.00 40 N 8.60 5.00 0.00 2.75 2.71 0.00 0.00 6.96 8.02 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 41 P 0.00 4.54 0.00 2.14 2.10 0.00 3.53 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 1.62 1.87 0.00 42 S 8.29 4.27 0.00 4.04 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 43 L 8.30 3.83 0.00 1.72 1.67 0.88 0.55 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 44 Q 7.98 3.92 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 45 L 7.94 4.00 0.00 1.86 1.66 0.99 0.96 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 46 A 8.20 4.08 1.22 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 0.00 0.00 47 L 8.34 4.06 0.00 1.87 1.75 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.37 4.11 0.00 2.10 2.09 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.49 1.68 7.81 49 I 8.25 3.88 2.26 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 1.60 1.09 1.05 0.00 0.00 50 A 8.28 4.08 1.56 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 0.00 0.00 51 Y 8.21 3.84 0.00 2.97 2.96 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 52 Y 8.11 4.17 0.00 3.23 3.04 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 0.00 0.00 0.00 53 L 7.96 4.42 0.00 1.74 1.70 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 54 N 7.71 4.11 0.00 2.78 2.77 0.00 0.00 6.67 7.33 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 55 T 7.78 4.66 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 1.20 0.00 0.00 56 P 0.00 4.32 0.00 2.19 2.01 0.00 3.61 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 57 L 8.77 4.09 0.00 1.80 1.76 1.02 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.05 4.55 0.00 2.03 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 0.00 2.41 2.34 0.00 59 D 7.99 4.52 0.00 2.81 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 60 I 7.49 4.10 1.76 0.00 0.00 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 1.53 0.66 0.15 0.00 0.00 61 F 8.18 5.33 0.00 3.06 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 62 Q 9.36 4.81 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.48 2.28 0.00 63 W 8.93 5.17 0.00 3.31 3.15 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 0.00 0.00 0.00 64 Q 7.53 4.13 0.00 1.57 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.69 0.00 0.00 0.00 0.00 0.00 2.12 2.31 0.00 65 P 0.00 3.57 0.00 1.91 2.00 0.00 3.42 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.14 0.00 66 E 8.53 4.06 0.00 2.03 1.92 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 2.16 2.28 0.00