NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3981 8.1127 121.1203 56.2100 31.9264 173.6791 2 I 4.3686 9.2079 128.7414 60.1423 39.2801 172.6767 3 C 5.1274 9.8144 127.0415 55.6887 45.8667 172.3387 4 Y 4.6539 9.2053 118.6166 59.5327 38.4393 175.0591 5 S 4.2187 9.5695 113.0061 55.4832 64.0791 174.3598 6 H 3.8176 9.2531 116.7832 55.5414 27.6907 176.2554 7 K 3.9111 8.5541 123.9951 59.2143 32.7528 177.0215 8 A 4.2337 7.2782 120.2736 51.5379 17.7480 178.2262 9 S 5.0882 8.3670 121.5841 57.7135 62.0821 173.4167 10 L 4.6775 7.1188 122.6959 56.6066 47.1836 174.7614 11 P 4.6231 0.0000 0.0000 62.3745 32.5106 175.2995 12 R 4.1864 7.8586 115.5761 54.6018 33.8899 174.5662 13 A 4.7775 8.0218 119.7262 51.4862 22.4356 175.1938 14 T 5.1299 8.4540 109.2109 59.8575 72.1614 172.9617 15 K 4.6720 8.9149 120.9746 55.6308 36.6177 175.0131 16 T 4.6796 8.3426 115.5256 62.1259 68.2536 174.2664 17 C 4.9262 8.9270 123.7942 55.6500 44.2661 174.5823 18 V 3.6346 8.4721 120.6819 65.5278 31.5819 176.8965 19 E 4.0160 8.1043 117.6265 56.8239 29.5181 176.8331 20 N 4.4349 8.8568 120.5913 55.7134 39.2212 174.4771 21 T 5.1101 7.6216 107.3876 60.3252 72.2095 173.9500 22 C 5.1197 9.3697 118.7669 55.7154 45.5303 172.7472 23 Y 5.5702 8.7059 119.2744 55.1018 41.2546 174.4289 24 K 4.9237 9.2699 119.4838 55.3010 35.9861 174.4954 25 M 4.9141 9.1847 123.2412 53.5691 35.0897 174.2337 26 F 5.3038 7.5272 119.8852 53.4767 42.2342 174.2880 27 I 4.3140 8.3307 121.1190 60.9781 37.8040 176.9343 28 R 4.1200 8.7689 123.7966 59.7516 28.8900 178.3584 29 T 3.9635 7.6269 106.5457 63.1105 69.2324 174.0503 30 H 5.0121 8.0321 119.1269 53.3995 29.1790 172.7643 31 R 3.7863 8.3080 121.2846 59.3650 30.7214 178.6308 32 E 4.3343 7.9007 115.9983 55.5250 28.6247 178.4324 33 Y 4.8474 7.3116 118.9831 57.2977 40.0227 171.5148 34 I 4.1725 8.0320 124.6024 60.6177 36.8441 176.5007 35 S 3.8031 8.6660 122.5373 60.6041 63.5333 174.1075 36 E 4.9692 7.5950 117.8901 54.5066 33.3704 173.3145 37 R 4.8162 8.0982 119.5395 55.1071 35.5731 174.0862 38 G 3.0402 8.0215 106.3624 45.9993 0.0000 171.8080 39 C 4.8324 8.3482 117.1287 56.3159 42.2869 177.3853 40 G 3.8566 10.3053 114.3505 46.1309 0.0000 175.9553 41 C 4.9296 9.5117 118.8394 55.1474 46.6748 169.8566 42 P 3.2664 0.0000 0.0000 59.0203 32.4212 175.7706 43 T 3.9418 6.9211 115.5217 63.3330 71.7035 172.2592 44 A 4.3012 7.7130 127.9775 52.4288 21.5894 174.8356 45 M 4.9226 7.8434 117.8747 52.8126 35.5467 175.5421 46 W 4.4686 8.9219 132.3510 57.4956 31.5043 173.4967 47 P 3.7404 0.0000 0.0000 62.7717 31.0341 175.0354 48 Y 4.8604 7.8320 116.5905 58.6817 38.7777 175.1913 49 Q 4.3817 8.6245 120.6201 54.3458 33.1225 174.3858 50 T 4.8547 8.1553 113.2930 59.9785 71.4609 173.5320 51 E 4.8357 9.2325 120.3856 55.1687 33.2473 174.0518 52 C 5.4682 8.7531 119.4990 56.3931 40.8065 170.9210 53 C 4.9808 8.9254 114.6663 55.0257 45.0883 172.7908 54 K 4.9998 8.7195 117.1407 55.9578 35.3526 176.0798 55 G 4.1047 8.1494 108.2281 44.5791 0.0000 173.2273 56 D 4.7196 8.6265 121.3195 55.9849 41.4964 176.5309 57 R 3.8811 9.1414 122.3834 56.9869 28.5576 176.2773 58 C 4.2822 8.2686 114.7137 58.3145 42.3533 174.1474 59 N 4.6612 7.3730 117.1626 51.6470 36.0194 175.1249 60 K 3.7093 7.7088 120.8837 57.7304 32.8608 177.4016 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 R 8.11 4.40 0.00 1.95 2.09 0.00 3.30 0.00 0.00 3.46 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 2 I 9.21 4.37 1.90 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.79 0.79 0.00 0.00 3 C 9.81 5.13 0.00 2.79 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 4 Y 9.21 4.65 0.00 3.01 2.82 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 5 S 9.57 4.22 0.00 3.89 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 6 H 9.25 3.82 0.00 3.42 3.54 0.00 5.46 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.55 3.91 0.00 1.89 2.00 0.00 1.49 0.00 0.00 1.75 0.00 0.00 3.16 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.52 7.81 8 A 7.28 4.23 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 5.09 0.00 4.14 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 10 L 7.12 4.68 0.00 1.63 1.64 0.95 1.06 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 11 P 0.00 4.62 0.00 2.22 2.08 0.00 3.97 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 2.01 2.01 0.00 12 R 7.86 4.19 0.00 1.77 1.86 0.00 3.15 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.52 0.00 13 A 8.02 4.78 1.23 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 0.00 0.00 0.00 0.00 0.00 14 T 8.45 5.13 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 0.46 0.00 0.00 15 K 8.91 4.67 0.00 1.72 1.85 0.00 1.26 0.00 0.00 1.52 0.00 0.00 2.78 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.26 1.32 7.81 16 T 8.34 4.68 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 1.19 0.00 0.00 17 C 8.93 4.93 0.00 2.88 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 18 V 8.47 3.63 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 0.74 0.00 0.00 0.92 0.00 0.00 19 E 8.10 4.02 0.00 2.02 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 2.29 0.00 20 N 8.86 4.43 0.00 2.80 2.81 0.00 0.00 6.76 7.22 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 21 T 7.62 5.11 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 1.27 0.00 0.00 22 C 9.37 5.12 0.00 2.81 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 23 Y 8.71 5.57 0.00 2.99 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 24 K 9.27 4.92 0.00 1.84 1.92 0.00 1.30 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.55 7.81 25 M 9.18 4.91 0.00 1.70 1.75 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.68 0.00 26 F 7.53 5.30 0.00 3.31 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 27 I 8.33 4.31 2.07 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.69 0.93 0.00 0.00 28 R 8.77 4.12 0.00 1.78 1.84 0.00 2.21 0.00 0.00 2.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.30 0.00 29 T 7.63 3.96 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 1.12 0.00 0.00 30 H 8.03 5.01 0.00 3.33 3.40 0.00 5.68 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 8.31 3.79 0.00 1.69 1.73 0.00 2.59 0.00 0.00 2.98 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.48 0.00 32 E 7.90 4.33 0.00 1.99 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 2.27 0.00 33 Y 7.31 4.85 0.00 2.97 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 34 I 8.03 4.17 1.85 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.92 0.97 0.00 0.00 35 S 8.67 3.80 0.00 3.57 3.63 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 36 E 7.59 4.97 0.00 1.53 1.35 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 2.14 2.28 0.00 37 R 8.10 4.82 0.00 1.71 1.76 0.00 2.96 0.00 0.00 2.88 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.49 0.00 38 G 8.02 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 0.00 0.00 0.00 39 C 8.35 4.83 0.00 2.78 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 40 G 10.31 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 C 9.51 4.93 0.00 2.96 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 42 P 0.00 3.27 0.00 1.93 1.69 0.00 3.71 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.96 0.00 43 T 6.92 3.94 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 1.21 0.00 0.00 44 A 7.71 4.30 1.06 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 45 M 7.84 4.92 0.00 2.17 2.05 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 2.63 2.61 0.00 46 W 8.92 4.47 0.00 3.40 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 47 P 0.00 3.74 0.00 1.92 1.96 0.00 3.50 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.87 0.00 48 Y 7.83 4.86 0.00 2.90 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.62 4.38 0.00 1.51 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.61 0.00 0.00 0.00 0.00 0.00 2.11 2.03 0.00 50 T 8.16 4.85 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 51 E 9.23 4.84 0.00 2.08 2.28 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 2.63 2.39 0.00 52 C 8.75 5.47 0.00 2.91 3.11 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 0.00 0.00 0.00 0.00 53 C 8.93 4.98 0.00 2.97 3.20 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 0.00 54 K 8.72 5.00 0.00 1.83 1.78 0.00 1.55 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.30 1.41 7.81 55 G 8.15 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 56 D 8.63 4.72 0.00 2.64 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 R 9.14 3.88 0.00 1.91 1.96 0.00 2.98 0.00 0.00 2.91 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.47 0.00 58 C 8.27 4.28 0.00 3.12 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 7.37 4.66 0.00 2.99 2.95 0.00 0.00 7.27 7.29 0.00 0.00 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 K 7.71 3.71 0.00 1.82 1.92 0.00 1.73 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.38 7.81