NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4786 8.3049 120.3577 55.0781 33.7209 171.4758 2 I 2.8711 7.4488 124.3499 58.8416 37.9592 169.0411 3 V 2.7973 8.5868 125.9043 62.2683 32.7515 173.2545 4 P 4.3931 0.0000 0.0000 61.5529 31.7583 176.6297 5 V 3.5392 8.3905 123.2649 64.2417 32.0070 175.1366 6 R 4.1122 8.4381 123.2037 55.6123 29.2792 175.6119 7 C 4.1660 8.1049 118.3289 58.8763 31.7413 173.1210 8 F 4.7899 7.7639 123.4911 58.8118 38.7246 177.1762 9 S 4.0497 7.9343 119.7542 62.7359 63.7743 176.1752 10 C 4.1512 7.8972 115.0440 62.1141 30.1554 174.8329 11 G 4.3468 8.2834 107.2248 44.4852 0.0000 173.1501 12 K 4.0965 8.1221 121.6187 55.0825 32.8918 176.2962 13 V 3.8125 8.2358 124.8225 64.1724 31.5749 176.5835 14 V 4.3624 8.2686 124.1019 63.7469 32.2715 174.2872 15 G 3.9414 8.2376 105.6935 45.2990 0.0000 174.4388 16 D 4.7376 7.9718 119.2564 55.2196 40.9513 178.8774 17 K 3.9763 8.1392 119.5731 58.2649 31.8487 178.3661 18 W 4.5510 8.3123 129.0850 60.7012 30.7637 177.6420 19 E 3.7461 8.2614 117.7358 59.6034 29.0171 178.9928 20 S 4.0505 8.1251 114.4920 61.9897 62.6935 175.9502 21 Y 3.9508 8.3028 121.4138 60.7950 38.5333 178.0754 22 L 3.4974 7.7207 120.5890 56.9850 41.7811 178.2221 23 N 4.1743 7.5139 116.7167 56.2078 37.5834 177.6245 24 L 4.2222 7.9646 117.4311 55.4788 41.5163 177.5383 25 L 4.2224 8.5575 117.8599 56.2835 44.2492 178.5964 26 Q 3.8630 7.4627 119.9019 59.3083 29.1326 178.1043 27 E 3.9870 7.7949 117.6146 58.4591 29.2583 179.2859 28 D 4.5892 8.8982 124.3061 59.2096 40.6703 178.7303 29 E 4.2074 8.8793 118.8616 56.5651 25.9638 176.3146 30 L 4.9511 7.8907 121.3042 53.0420 46.6201 175.1610 31 D 4.4944 8.3583 118.4465 53.0224 41.7824 176.4217 32 E 3.6443 9.3591 113.1284 59.4433 29.6875 180.4973 33 G 4.0560 8.3087 107.9096 48.4719 0.0000 175.3597 34 T 3.8738 8.0035 117.6540 66.3115 68.6222 176.1462 35 A 3.9713 8.2310 122.6676 55.7121 18.5151 179.2829 36 L 4.0012 8.3280 116.3470 58.2988 41.6345 179.8691 37 S 4.2316 7.9097 113.6668 61.8976 63.0710 176.8962 38 R 4.0822 8.3065 121.0850 59.4362 29.7078 178.4395 39 L 4.2772 7.6932 113.9385 55.4977 41.5885 178.4879 40 G 3.9635 8.3274 107.5411 45.6534 0.0000 175.3711 41 L 4.2499 7.1254 118.8240 54.1402 39.3509 176.9252 42 K 4.0811 8.0248 123.5144 58.4317 33.3358 177.6331 43 R 4.5764 7.6933 116.1447 55.1758 32.2878 176.4657 44 Y 4.3163 9.3926 120.2350 60.8096 37.1115 178.4022 45 C 3.8090 8.0457 115.7542 61.7554 27.9463 175.9074 46 C 4.2382 8.0155 118.7369 61.7921 27.8107 175.5250 47 R 3.8729 7.9052 120.7486 58.6219 29.5915 178.6319 48 R 3.9190 9.0815 116.0397 60.0186 29.3419 178.1037 49 M 3.6141 7.6025 117.2489 58.9429 31.8991 178.4737 50 I 3.5688 6.9874 118.6759 64.3587 37.6283 178.0559 51 L 3.9775 7.4972 119.5194 57.6974 41.7436 177.8226 52 T 4.4545 7.6376 113.0709 64.9364 70.4328 173.9422 53 H 3.6359 7.0646 117.4567 55.4750 30.1820 173.6723 54 V 4.1926 7.8719 126.5765 61.3413 33.4734 175.4006 55 D 4.6521 8.3532 128.3388 53.3613 41.0169 177.2383 56 L 3.7309 8.1029 123.0991 58.9431 42.5730 180.6868 57 I 4.2117 8.2039 117.6364 64.1668 38.1065 176.5770 58 E 3.9890 7.9627 118.3328 59.9221 29.5663 179.6517 59 K 3.9897 8.6385 118.4097 58.9871 31.9755 179.5973 60 F 4.4298 7.7484 117.8843 60.7257 38.7804 177.5004 61 L 4.2055 8.5462 117.2747 57.3293 41.4340 178.6745 62 R 4.1738 7.1957 116.4646 57.9523 30.3241 176.0353 63 Y 4.6254 7.7735 115.5857 58.1305 39.8352 172.9141 64 N 4.5039 8.5002 119.2710 54.8019 39.4841 173.5390 65 P 4.4540 0.0000 0.0000 63.0649 31.4279 176.8799 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 4.48 0.00 1.96 2.26 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.69 0.00 2 I 7.45 2.87 1.85 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.16 0.86 0.00 0.00 3 V 8.59 2.80 1.85 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 0.71 0.00 0.00 0.20 0.00 0.00 4 P 0.00 4.39 0.00 1.79 1.88 0.00 3.48 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.01 0.00 5 V 8.39 3.54 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 0.80 0.00 0.00 0.93 0.00 0.00 6 R 8.44 4.11 0.00 1.95 2.00 0.00 3.32 0.00 0.00 3.82 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 7 C 8.10 4.17 0.00 2.90 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 8 F 7.76 4.79 0.00 3.04 2.79 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 0.00 0.00 0.00 0.00 9 S 7.93 4.05 0.00 3.82 3.87 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 0.00 0.00 0.00 10 C 7.90 4.15 0.00 3.07 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 11 G 8.28 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.12 4.10 0.00 1.80 1.68 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.50 1.42 7.81 13 V 8.24 3.81 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 0.82 0.00 0.00 0.94 0.00 0.00 14 V 8.27 4.36 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 0.74 0.00 0.00 0.97 0.00 0.00 15 G 8.24 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 16 D 7.97 4.74 0.00 2.94 2.94 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 0.00 0.00 0.00 17 K 8.14 3.98 0.00 1.92 2.03 0.00 1.60 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.58 1.65 7.81 18 W 8.31 4.55 0.00 3.35 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 8.26 3.75 0.00 2.04 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 2.52 2.69 0.00 20 S 8.13 4.05 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 21 Y 8.30 3.95 0.00 2.86 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 22 L 7.72 3.50 0.00 0.65 1.12 0.69 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.51 4.17 0.00 3.09 2.76 0.00 0.00 7.03 6.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.96 4.22 0.00 1.49 1.55 0.90 0.48 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 25 L 8.56 4.22 0.00 1.44 1.37 0.48 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.46 3.86 0.00 1.73 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.02 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 27 E 7.79 3.99 0.00 2.15 1.71 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 2.36 2.28 0.00 28 D 8.90 4.59 0.00 2.58 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.88 4.21 0.00 1.86 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 2.33 2.46 0.00 30 L 7.89 4.95 0.00 1.56 1.49 0.89 0.95 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 31 D 8.36 4.49 0.00 2.71 2.76 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 32 E 9.36 3.64 0.00 2.15 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 2.52 2.72 0.00 33 G 8.31 4.06 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 0.00 0.00 0.00 34 T 8.00 3.87 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 35 A 8.23 3.97 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.33 4.00 0.00 1.78 1.78 0.93 0.41 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 37 S 7.91 4.23 0.00 4.11 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 38 R 8.31 4.08 0.00 1.87 2.17 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 39 L 7.69 4.28 0.00 1.86 1.75 1.15 1.31 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 40 G 8.33 3.96 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 0.00 0.00 0.00 41 L 7.13 4.25 0.00 1.75 1.66 0.92 0.83 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 42 K 8.02 4.08 0.00 1.74 1.81 0.00 1.78 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.45 7.81 43 R 7.69 4.58 0.00 2.32 2.17 0.00 3.26 0.00 0.00 3.44 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 44 Y 9.39 4.32 0.00 3.22 3.09 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 0.00 0.00 0.00 0.00 45 C 8.05 3.81 0.00 3.09 3.07 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 46 C 8.02 4.24 0.00 2.99 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.91 3.87 0.00 2.08 1.95 0.00 3.20 0.00 0.00 3.25 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 48 R 9.08 3.92 0.00 2.05 2.26 0.00 2.81 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.05 0.00 49 M 7.60 3.61 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 50 I 6.99 3.57 1.62 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 1.31 0.82 0.29 0.00 0.00 51 L 7.50 3.98 0.00 1.59 1.84 1.00 0.84 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 52 T 7.64 4.45 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 1.22 0.00 0.00 53 H 7.06 3.64 0.00 3.01 3.04 0.00 5.73 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.87 4.19 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 0.82 0.00 0.00 0.93 0.00 0.00 55 D 8.35 4.65 0.00 2.91 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.10 3.73 0.00 1.92 1.22 0.98 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.20 4.21 2.02 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.48 1.08 0.00 0.00 58 E 7.96 3.99 0.00 2.10 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 0.00 2.75 2.65 0.00 59 K 8.64 3.99 0.00 1.54 1.56 0.00 1.51 0.00 0.00 1.51 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.36 7.81 60 F 7.75 4.43 0.00 3.28 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 61 L 8.55 4.21 0.00 1.79 1.79 1.03 1.11 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 62 R 7.20 4.17 0.00 1.63 1.69 0.00 3.19 0.00 0.00 3.11 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 63 Y 7.77 4.63 0.00 3.33 2.92 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 0.00 0.00 0.00 64 N 8.50 4.50 0.00 2.74 2.67 0.00 0.00 6.87 7.69 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 65 P 0.00 4.45 0.00 2.23 2.03 0.00 3.88 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 1.99 1.96 0.00