NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2255 8.2993 121.7852 55.6083 33.1056 175.4089 2 P 4.3568 0.0000 0.0000 62.2361 32.2746 171.6353 3 V 4.0399 8.1075 114.4039 60.1267 34.8422 178.1221 4 S 4.3996 7.8496 112.6343 59.4867 63.0578 172.9315 5 L 3.8002 8.5152 123.3143 55.6613 39.1360 175.7028 6 S 4.6305 8.0469 109.9061 58.2189 65.5721 173.7717 7 Y 4.8684 7.8036 121.4609 56.2222 36.8008 175.9133 8 R 4.1658 7.9847 120.6600 55.8913 30.5383 177.9855 9 C 4.5916 8.4498 116.2306 56.5897 40.8942 172.4000 10 P 4.2537 0.0000 0.0000 65.1056 31.1504 177.6238 11 C 4.8954 8.2830 113.8842 55.0705 43.0556 174.0463 12 R 4.0606 8.1055 120.0096 55.7360 32.4574 175.5970 13 F 4.7204 7.2698 113.8488 55.3626 42.3442 173.9496 14 F 5.1444 8.6322 120.3018 55.7099 42.9696 173.7922 15 E 4.7573 9.0789 122.9056 54.6409 31.5047 176.5044 16 S 4.6146 8.7333 118.6696 58.3335 63.9764 173.7588 17 H 4.8682 8.3549 119.0358 54.1928 28.7367 173.0077 18 V 4.3977 8.1718 122.4692 61.0141 34.5898 174.0943 19 A 4.0733 8.4607 130.1689 50.8787 19.7521 177.8186 20 R 2.9162 7.7338 122.8997 59.0232 30.1172 178.3815 21 A 3.9944 7.6800 119.0390 54.2492 18.7551 177.1694 22 N 4.7140 8.1969 114.0719 53.0364 38.9625 173.6302 23 V 4.7424 7.4137 116.8291 60.9117 33.0130 175.5190 24 K 4.4369 8.9876 128.0520 59.3747 32.8622 176.7514 25 H 4.9002 7.7381 112.2825 54.9184 31.6489 172.7046 26 L 4.9796 8.7474 119.3916 52.9307 43.7513 175.9360 27 K 4.3701 9.3235 126.8111 55.5355 33.4542 175.2198 28 I 4.8850 8.4059 128.8400 59.7871 38.6931 175.0548 29 L 4.7926 8.9042 127.6133 53.0548 44.8378 175.8566 30 N 5.3605 8.8992 121.4573 52.6593 40.6450 173.1086 31 T 4.7165 8.2727 115.7698 59.0158 72.2679 173.2813 32 P 4.1672 0.0000 0.0000 65.8674 31.4659 178.1724 33 A 4.1578 8.0146 118.8363 54.3161 18.4845 178.5142 34 C 4.6581 7.7658 110.0824 55.6465 39.2145 175.1836 35 A 3.5984 8.1064 123.7513 51.0851 17.6052 175.2478 36 L 4.4952 8.3097 117.7624 55.5577 42.7364 177.5714 37 Q 4.7325 9.2946 124.5157 54.3402 33.6855 173.7931 38 I 4.9108 8.5132 123.0541 59.4644 40.6515 174.4222 39 V 4.7437 9.0717 127.1518 61.0091 33.8969 174.0916 40 A 4.7716 9.1972 131.2784 51.2635 20.3809 175.8616 41 R 4.6072 8.5467 123.4940 55.0855 31.4127 175.6497 42 L 4.6893 8.9041 127.7872 54.5905 42.5378 178.2380 43 K 4.0810 9.0983 124.9484 59.2942 32.2268 178.1248 44 N 4.5330 8.9717 117.7692 54.9697 37.7491 175.2613 45 N 4.8209 7.6425 112.2865 51.1171 38.6433 174.0430 46 N 4.1881 8.1738 115.4097 54.7231 38.2843 173.8403 47 R 4.4713 7.3194 114.5664 55.2837 32.3238 175.0775 48 Q 5.1397 8.4711 119.2222 54.4482 30.8419 175.7509 49 V 4.4969 8.6676 117.2889 59.4968 35.4616 174.4459 50 C 5.0930 8.8465 123.1368 56.8287 41.2476 172.7037 51 I 5.2901 8.5636 116.9328 58.7183 40.4658 174.6444 52 D 4.3076 8.7229 123.8622 53.6174 40.8257 174.8137 53 P 4.1962 0.0000 0.0000 65.3766 31.6225 178.1394 54 K 4.2232 8.0281 114.8070 56.9865 32.0651 177.2734 55 L 4.0179 7.2829 120.9912 54.2880 42.0729 178.0068 56 K 4.0047 8.7622 123.8901 59.5182 32.3524 179.3665 57 W 4.2310 8.1813 116.0146 59.0347 27.9502 178.0927 58 I 3.1108 6.6039 119.9749 64.1672 36.4681 177.5649 59 Q 3.9592 7.3821 120.3527 59.4080 28.7932 178.6462 60 E 4.0281 8.2147 117.8250 59.5208 29.4685 178.0007 61 Y 4.0933 7.9334 119.5048 60.6197 39.2145 177.9720 62 L 4.2986 8.6132 120.1678 57.7345 41.5102 179.0481 63 E 3.9405 8.4483 118.6685 59.3626 29.8865 178.7734 64 K 4.2125 8.5843 117.2563 57.9173 32.1113 177.9179 65 A 4.4426 7.7301 121.3622 51.6801 18.0976 178.1477 66 L 3.6722 7.8269 119.1665 56.8379 40.1920 175.3548 67 N 4.3262 7.7359 120.1035 53.0176 39.0138 178.5904 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 K 8.30 4.23 0.00 1.72 1.78 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.41 7.81 2 P 0.00 4.36 0.00 2.24 1.99 0.00 3.72 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 1.92 1.98 0.00 3 V 8.11 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 0.78 0.00 0.00 0.93 0.00 0.00 4 S 7.85 4.40 0.00 3.78 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 0.00 5 L 8.52 3.80 0.00 1.77 1.70 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.05 4.63 0.00 3.86 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 7 Y 7.80 4.87 0.00 2.89 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 8 R 7.98 4.17 0.00 1.83 1.73 0.00 3.27 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.23 0.00 9 C 8.45 4.59 0.00 2.94 3.05 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 0.00 0.00 0.00 0.00 10 P 0.00 4.25 0.00 2.16 2.12 0.00 3.88 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 2.03 2.11 0.00 11 C 8.28 4.90 0.00 2.95 2.30 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 12 R 8.11 4.06 0.00 1.54 1.21 0.00 3.10 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.45 0.00 13 F 7.27 4.72 0.00 2.88 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 14 F 8.63 5.14 0.00 2.97 2.93 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 15 E 9.08 4.76 0.00 2.07 1.95 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 2.25 2.45 0.00 16 S 8.73 4.61 0.00 3.92 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 17 H 8.35 4.87 0.00 3.32 3.33 0.00 5.82 0.00 0.00 0.00 0.00 6.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.17 4.40 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.06 0.00 0.00 19 A 8.46 4.07 1.15 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 0.00 0.00 20 R 7.73 2.92 0.00 0.80 1.55 0.00 3.15 0.00 0.00 3.45 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 21 A 7.68 3.99 1.21 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 22 N 8.20 4.71 0.00 2.75 2.82 0.00 0.00 6.48 8.19 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 23 V 7.41 4.74 2.25 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 1.01 0.00 0.00 0.98 0.00 0.00 24 K 8.99 4.44 0.00 1.76 1.90 0.00 1.82 0.00 0.00 1.77 0.00 0.00 3.19 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.39 7.81 25 H 7.74 4.90 0.00 3.29 3.44 0.00 5.61 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.75 4.98 0.00 1.59 1.60 0.32 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 27 K 9.32 4.37 0.00 1.88 1.86 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.44 7.81 28 I 8.41 4.89 1.89 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 1.38 1.04 0.91 0.00 0.00 29 L 8.90 4.79 0.00 1.60 1.53 0.93 0.25 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 N 8.90 5.36 0.00 2.67 2.68 0.00 0.00 7.13 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 31 T 8.27 4.72 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 1.21 0.00 0.00 32 P 0.00 4.17 0.00 2.07 2.17 0.00 3.68 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 2.04 2.10 0.00 33 A 8.01 4.16 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 34 C 7.77 4.66 0.00 2.96 3.13 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 0.00 0.00 0.00 35 A 8.11 3.60 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 36 L 8.31 4.50 0.00 1.65 1.55 0.87 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 9.29 4.73 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.52 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 38 I 8.51 4.91 1.83 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.82 0.83 0.00 0.00 39 V 9.07 4.74 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 0.97 0.00 0.00 0.94 0.00 0.00 40 A 9.20 4.77 1.28 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 0.00 0.00 0.00 41 R 8.55 4.61 0.00 1.74 1.36 0.00 3.22 0.00 0.00 3.34 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 42 L 8.90 4.69 0.00 1.61 1.68 0.94 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 43 K 9.10 4.08 0.00 1.72 1.99 0.00 1.80 0.00 0.00 1.94 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.39 7.81 44 N 8.97 4.53 0.00 2.84 3.06 0.00 0.00 6.78 7.58 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 45 N 7.64 4.82 0.00 2.86 3.01 0.00 0.00 5.92 6.96 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 46 N 8.17 4.19 0.00 2.89 2.90 0.00 0.00 7.11 7.66 0.00 0.00 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 R 7.32 4.47 0.00 1.94 1.83 0.00 3.14 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 1.74 1.77 0.00 48 Q 8.47 5.14 0.00 1.91 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.68 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 49 V 8.67 4.50 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 0.72 0.00 0.00 1.02 0.00 0.00 50 C 8.85 5.09 0.00 2.86 2.88 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 51 I 8.56 5.29 1.94 0.00 0.00 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 1.25 0.59 1.04 0.00 0.00 52 D 8.72 4.31 0.00 2.69 2.55 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 53 P 0.00 4.20 0.00 2.07 1.96 0.00 3.38 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.99 0.00 54 K 8.03 4.22 0.00 1.66 1.76 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.68 1.45 7.81 55 L 7.28 4.02 0.00 1.14 1.16 0.83 0.81 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 56 K 8.76 4.00 0.00 1.89 1.89 0.00 1.63 0.00 0.00 1.90 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.63 7.81 57 W 8.18 4.23 0.00 3.67 3.34 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 58 I 6.60 3.11 1.66 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.31 0.66 0.00 0.00 59 Q 7.38 3.96 0.00 1.94 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 60 E 8.21 4.03 0.00 2.35 2.27 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 2.52 2.68 0.00 61 Y 7.93 4.09 0.00 3.47 3.33 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 0.00 0.00 0.00 0.00 62 L 8.61 4.30 0.00 1.90 1.76 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.45 3.94 0.00 2.09 2.23 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 2.34 2.37 0.00 64 K 8.58 4.21 0.00 1.75 1.79 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.63 7.81 65 A 7.73 4.44 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.83 3.67 0.00 1.78 1.79 0.92 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 67 N 7.74 4.33 0.00 2.74 2.49 0.00 0.00 6.76 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00