NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8765 8.3549 109.7365 45.1417 0.0000 173.8188 2 D 4.4048 8.0709 120.3625 53.0112 41.5799 173.4095 3 S 4.6753 8.4890 114.3661 56.5777 65.0081 172.7949 4 V 4.1345 8.2508 127.2851 61.8053 32.2687 174.6519 5 E 4.7368 8.2630 124.9973 54.1599 33.6124 174.6882 6 K 4.1745 8.5170 121.8163 56.0724 32.7079 176.1025 7 I 4.4780 8.2917 126.7127 59.3393 39.6800 174.7955 8 V 4.3533 8.3954 124.6186 60.8310 33.2326 174.4261 9 L 4.7638 8.3334 126.5293 52.8006 44.1065 175.7718 10 E 4.2891 8.7160 123.0309 55.7387 30.3637 176.0493 11 L 4.8411 8.2179 123.0230 53.2699 44.3820 175.7135 12 S 4.5468 8.3467 113.5417 58.2864 65.5277 174.2888 13 G 4.1030 9.1194 109.9076 45.5489 0.0000 174.0068 14 L 4.6872 7.7800 117.0111 54.0730 43.2621 176.0461 15 S 4.7651 7.7337 111.8336 56.7374 66.5283 174.5663 16 C 4.8191 8.0383 119.7432 54.3199 39.7231 173.9073 17 H 4.0264 8.2227 121.5134 58.1660 28.5567 176.1458 18 H 4.4559 8.0607 115.2124 57.8862 28.9125 177.5249 19 C 4.5036 7.8086 119.1488 59.1939 40.3661 175.6966 20 V 3.4313 7.5193 120.2684 65.8167 30.9948 177.6657 21 A 3.9889 7.9864 119.8571 55.4976 18.2429 179.7124 22 R 3.9147 7.9831 115.9143 59.2164 30.1190 179.3814 23 V 3.5849 7.3705 117.2842 65.7355 31.5491 177.8742 24 K 3.8400 8.0119 119.3258 59.5317 32.0185 178.8062 25 K 4.1964 8.4360 119.6898 58.9311 32.0095 179.1248 26 A 4.0450 8.4263 121.3852 55.2363 18.2931 179.6928 27 L 3.9272 8.0922 117.4412 58.0233 41.1894 179.6556 28 E 4.5548 8.1906 119.8466 59.0221 29.1558 179.2957 29 E 4.0410 8.5265 117.9687 58.9216 29.5983 178.3905 30 A 4.4041 7.7510 118.6311 52.3618 18.9230 177.9553 31 G 4.0247 8.0409 105.1294 44.6814 0.0000 173.8216 32 A 4.2088 7.8102 121.8915 50.6668 20.9796 176.6341 33 K 4.4075 8.5161 121.9297 54.6386 33.7245 175.6685 34 V 3.8973 8.2774 128.6277 63.0805 31.5251 175.1880 35 E 4.4340 9.0296 127.9185 58.0898 30.9029 176.5982 36 K 4.6448 7.6084 117.8157 55.5044 35.7431 175.0576 37 V 4.9445 8.2115 125.3762 60.3033 33.4929 173.8249 38 D 4.7084 8.7917 122.3361 52.0624 42.1293 175.3920 39 L 4.0335 8.6408 117.4361 57.7549 41.6034 177.8035 40 N 4.8022 7.5482 110.8557 53.3599 39.9705 174.3160 41 E 4.6510 8.4976 114.9934 54.9026 32.6364 173.5391 42 A 4.9902 8.3618 120.9734 50.1845 21.7585 175.3967 43 V 4.3567 9.3449 124.0793 61.2745 33.7252 175.0857 44 V 4.9478 8.3129 119.3286 59.6397 36.3375 174.4358 45 A 4.5906 9.1036 124.4857 50.7705 20.5210 176.6731 46 G 4.6258 8.4596 108.6502 46.0348 0.0000 171.0503 47 N 5.0672 9.2828 117.7862 51.0503 39.8050 176.9492 48 K 4.1164 8.6824 122.5757 59.5829 32.8829 178.9400 49 E 3.9091 8.1694 118.4898 58.8197 29.6853 177.6839 50 D 4.5154 8.0994 117.4307 53.8956 40.9602 178.2044 51 V 3.2896 6.9942 122.1072 66.2964 31.3874 177.8800 52 D 4.3167 7.8416 117.9534 57.0575 40.7780 178.5283 53 K 3.9290 7.5828 119.7920 59.6815 32.3622 178.3863 54 Y 4.4089 7.7529 117.1292 61.2169 37.7770 178.6046 55 I 3.8285 8.0862 120.8736 64.4067 37.1541 178.7209 56 K 4.3371 8.6227 120.4510 58.7026 31.9223 179.3517 57 A 4.0259 8.0530 121.1813 55.0389 18.2882 179.8742 58 V 3.6805 7.8113 116.4218 66.1300 31.7252 178.1948 59 E 4.8903 8.6194 119.5690 59.1081 29.1176 179.2085 60 A 4.1144 8.1519 119.6235 54.8488 18.5095 178.9111 61 A 4.2482 7.6844 117.2187 52.8987 18.5994 178.1747 62 G 3.6964 8.0449 106.2332 45.1488 0.0000 172.9873 63 Y 4.8449 7.9762 117.7449 55.9967 41.4136 173.7325 64 Q 4.8837 8.7742 119.5764 54.8137 31.9667 174.9981 65 A 4.8282 8.3969 125.6581 50.3126 22.3150 175.2953 66 K 4.6230 8.2862 120.7447 54.1592 35.4967 175.8644 67 L 4.1106 8.4428 127.4674 54.5135 42.7149 176.5693 68 R 3.9451 8.5142 125.9442 56.6012 30.5393 175.6042 69 S 4.5966 8.5405 120.0745 57.4375 63.4037 173.8603 70 S 4.3615 8.5370 120.7930 59.8253 63.7328 175.5128 71 A 3.7551 7.7419 123.7093 54.1302 18.3235 177.2540 72 W 4.6192 7.5568 113.7883 56.0727 32.3175 176.2230 73 S 4.1585 8.5920 115.6668 59.0837 62.2116 172.3061 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 G 8.35 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 2 D 8.07 4.40 0.00 2.76 2.66 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 0.00 0.00 0.00 0.00 3 S 8.49 4.68 0.00 3.79 3.72 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 4 V 8.25 4.13 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 0.87 0.00 0.00 0.93 0.00 0.00 5 E 8.26 4.74 0.00 1.93 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 6 K 8.52 4.17 0.00 1.72 1.72 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.46 7.81 7 I 8.29 4.48 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 0.95 0.91 0.00 0.00 8 V 8.40 4.35 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 0.87 0.00 0.00 0.93 0.00 0.00 9 L 8.33 4.76 0.00 1.63 1.54 0.92 0.97 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 10 E 8.72 4.29 0.00 1.96 1.88 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 2.30 2.27 0.00 11 L 8.22 4.84 0.00 1.61 1.56 0.92 0.85 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 S 8.35 4.55 0.00 3.93 3.79 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 13 G 9.12 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.78 4.69 0.00 1.61 1.68 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 15 S 7.73 4.77 0.00 3.83 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 16 C 8.04 4.82 0.00 2.87 2.87 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 17 H 8.22 4.03 0.00 3.28 3.33 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 8.06 4.46 0.00 3.26 3.47 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 C 7.81 4.50 0.00 3.01 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 20 V 7.52 3.43 2.15 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 0.96 0.00 0.00 0.90 0.00 0.00 21 A 7.99 3.99 1.33 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 0.00 0.00 22 R 7.98 3.91 0.00 1.96 2.10 0.00 3.19 0.00 0.00 3.36 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.74 0.00 23 V 7.37 3.58 2.12 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 0.93 0.00 0.00 0.65 0.00 0.00 24 K 8.01 3.84 0.00 1.84 1.95 0.00 1.67 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.45 7.81 25 K 8.44 4.20 0.00 2.01 1.85 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.50 7.81 26 A 8.43 4.04 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.09 3.93 0.00 1.82 1.57 0.87 0.79 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 28 E 8.19 4.55 0.00 2.14 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 2.28 2.41 0.00 29 E 8.53 4.04 0.00 2.10 2.04 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 2.57 2.49 0.00 30 A 7.75 4.40 1.55 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 31 G 8.04 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 0.00 0.00 0.00 32 A 7.81 4.21 0.34 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 33 K 8.52 4.41 0.00 1.79 1.75 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.75 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.33 7.81 34 V 8.28 3.90 2.03 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 0.81 0.00 0.00 0.90 0.00 0.00 35 E 9.03 4.43 0.00 1.84 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 2.24 2.36 0.00 36 K 7.61 4.64 0.00 1.77 1.56 0.00 1.68 0.00 0.00 1.86 0.00 0.00 3.02 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.40 7.81 37 V 8.21 4.94 2.04 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 0.77 0.00 0.00 0.91 0.00 0.00 38 D 8.79 4.71 0.00 2.84 2.78 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 0.00 0.00 0.00 0.00 39 L 8.64 4.03 0.00 1.59 1.70 0.80 0.66 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 40 N 7.55 4.80 0.00 2.67 2.84 0.00 0.00 6.82 7.54 0.00 0.00 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 E 8.50 4.65 0.00 2.08 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 2.26 2.29 0.00 42 A 8.36 4.99 1.17 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 0.00 0.00 0.00 0.00 0.00 43 V 9.34 4.36 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 1.04 0.00 0.00 0.92 0.00 0.00 44 V 8.31 4.95 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 0.63 0.00 0.00 0.78 0.00 0.00 45 A 9.10 4.59 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 46 G 8.46 4.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 N 9.28 5.07 0.00 2.93 2.92 0.00 0.00 7.20 8.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.68 4.12 0.00 1.93 2.09 0.00 1.50 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.46 7.81 49 E 8.17 3.91 0.00 1.92 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 0.00 2.30 2.37 0.00 50 D 8.10 4.52 0.00 2.19 2.15 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 51 V 6.99 3.29 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 1.05 0.00 0.00 0.98 0.00 0.00 52 D 7.84 4.32 0.00 2.65 2.66 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 0.00 0.00 0.00 0.00 53 K 7.58 3.93 0.00 1.71 1.79 0.00 1.70 0.00 0.00 1.90 0.00 0.00 3.14 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.54 7.81 54 Y 7.75 4.41 0.00 3.16 2.89 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 55 I 8.09 3.83 2.03 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 1.58 0.89 0.97 0.00 0.00 56 K 8.62 4.34 0.00 1.82 1.88 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.52 7.81 57 A 8.05 4.03 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.81 3.68 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 1.14 0.00 0.00 1.02 0.00 0.00 59 E 8.62 4.89 0.00 2.22 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 2.61 2.54 0.00 60 A 8.15 4.11 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 61 A 7.68 4.25 1.55 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 62 G 8.04 3.70 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 0.00 0.00 0.00 63 Y 7.98 4.84 0.00 3.11 2.90 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 64 Q 8.77 4.88 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 65 A 8.40 4.83 1.24 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 0.00 0.00 0.00 66 K 8.29 4.62 0.00 1.69 1.65 0.00 1.81 0.00 0.00 1.66 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.43 7.81 67 L 8.44 4.11 0.00 1.65 1.58 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.51 3.95 0.00 1.83 1.85 0.00 3.29 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 69 S 8.54 4.60 0.00 3.94 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 70 S 8.54 4.36 0.00 3.98 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 71 A 7.74 3.76 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 W 7.56 4.62 0.00 3.27 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 73 S 8.59 4.16 0.00 4.04 4.21 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