NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2334 8.3031 121.7875 55.0669 33.2396 178.0550 4 G 4.0547 8.1470 104.8923 44.4076 0.0000 168.7455 5 H 3.8867 9.3248 122.8569 56.7808 29.6489 174.3173 6 S 4.6211 8.9251 117.4124 56.3134 64.7858 173.1991 7 L 4.2675 8.4122 128.9363 57.1505 41.6345 178.8446 8 Q 3.8822 7.9481 119.1511 59.2476 29.0475 178.0009 9 D 4.4181 7.6455 119.1014 57.2041 40.8988 177.1871 10 P 4.4661 0.0000 0.0000 65.4058 31.3477 178.1577 11 Y 3.9664 7.9694 118.2776 60.8352 38.7299 178.1519 12 L 3.8160 8.2463 120.2346 57.6844 41.4455 179.3413 13 N 4.5889 8.7146 116.9585 56.5701 38.4262 177.5351 14 T 3.8223 8.1574 117.3928 66.7112 68.5757 176.6610 15 L 3.8629 7.6315 120.7538 57.7119 41.5793 179.4601 16 R 4.1287 8.2805 120.3687 58.8919 29.9224 178.4953 17 K 3.8773 8.6007 117.8514 59.5873 32.1923 177.9335 18 E 4.2982 8.3374 114.9012 55.5664 29.6625 176.2627 19 R 3.7262 7.6307 117.0316 57.0476 28.2469 176.7259 20 V 3.8973 7.7380 117.2494 61.6236 32.5140 174.2586 21 P 4.5115 0.0000 0.0000 63.5538 32.4231 175.7553 22 V 4.9690 9.0399 116.6449 59.6933 36.5627 174.4289 23 S 5.1162 9.1010 118.4627 56.8950 65.8175 173.2935 24 I 4.8762 8.5918 125.9876 59.8895 39.3009 174.2210 25 Y 4.8144 9.0923 126.0929 57.0357 39.5121 175.7129 26 L 5.0016 8.8840 124.4518 53.3842 43.8353 178.2617 27 V 3.7589 8.8114 114.1874 63.5288 31.4761 177.1085 28 N 4.7945 8.2545 116.3079 52.3218 37.3317 175.9346 29 G 4.1067 8.3124 109.0853 45.9174 0.0000 174.7702 30 I 3.8312 7.8534 121.2943 61.4742 38.2843 174.8898 31 K 4.4567 8.5158 127.4186 54.6910 33.5876 175.1864 32 L 4.7899 8.7610 127.5834 53.3568 44.4232 175.5599 33 Q 4.8610 9.2235 119.1268 53.7543 33.0189 176.1390 34 G 3.8318 7.1713 107.7560 45.9012 0.0000 170.8539 35 Q 4.9092 8.0884 118.5158 54.0188 31.7515 175.6700 36 I 4.2626 8.1661 123.3130 61.3169 37.5122 176.3292 37 E 4.1717 9.2701 130.3076 58.9180 30.1875 176.3417 38 S 4.7826 7.8358 111.6510 58.4076 66.1004 173.7802 39 F 5.1862 7.8533 113.5659 56.3350 39.4300 173.0626 40 D 4.6411 8.6739 119.9496 52.3859 41.4993 175.5354 41 Q 4.0988 8.9082 118.0660 58.8335 29.2772 177.9263 42 F 4.9102 8.1018 115.2270 57.1746 41.4012 175.0170 43 V 5.0514 8.6603 113.1756 59.4490 36.3710 174.5500 44 I 4.8976 8.5376 122.2384 59.5447 40.6468 174.4714 45 L 4.8568 9.1027 130.0685 53.9261 43.2223 174.8416 46 L 5.2966 8.9494 129.4629 53.3609 44.9593 175.1297 47 K 4.5703 8.7047 123.1028 55.9524 35.8004 174.4977 48 N 4.2558 8.3622 128.2683 55.3220 43.1555 175.7465 49 T 4.0987 8.1353 117.9346 65.6424 69.8860 175.4939 50 V 4.4322 7.4056 119.2043 60.8110 34.6869 173.4149 51 S 5.2057 8.4701 120.7597 57.3412 63.5627 172.9822 52 Q 4.6494 8.9825 123.2089 55.4306 32.2167 172.5665 53 M 4.7888 8.5832 121.2711 54.2573 33.6864 174.9303 54 V 4.4014 8.6655 127.0330 61.2216 33.9743 174.5007 55 Y 4.5848 8.6777 125.8857 57.4724 38.7312 176.8731 56 K 4.0274 9.1750 125.0359 59.5809 32.4192 179.3879 57 T 3.8777 8.2915 107.7646 63.9362 68.6904 174.4292 58 A 4.5871 8.3536 123.6838 51.7673 19.6172 175.8927 59 I 4.5907 7.6534 118.2664 60.4123 38.5713 175.5523 60 S 4.6283 9.2266 120.3663 60.2678 64.1566 174.4267 61 T 4.7042 7.7542 114.3984 59.8979 70.9769 171.8919 62 V 4.7693 8.4616 127.2792 61.1951 33.6898 174.8195 63 V 4.4404 9.0119 128.2502 60.4094 33.6250 173.0599 64 P 4.8510 0.0000 0.0000 62.5203 31.5732 177.2173 65 S 4.5339 8.7436 117.2406 60.3620 63.5810 174.2810 66 R 4.6852 7.6735 115.1027 53.6141 32.1350 172.8403 67 P 4.3238 0.0000 0.0000 63.2096 31.8741 176.2650 68 V 4.4125 7.9258 114.6021 58.8874 34.0734 176.1274 69 R 4.0695 8.3243 119.5793 55.8526 29.8207 176.5042 70 L 4.0608 8.3213 119.5149 54.8675 42.2469 175.7177 71 P 4.4759 0.0000 0.0000 62.8020 31.4362 175.9653 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 3 K 8.30 4.23 0.00 1.72 1.03 0.00 1.83 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.43 7.81 4 G 8.15 4.05 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 0.00 0.00 0.00 5 H 9.32 3.89 0.00 3.14 3.06 0.00 5.67 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.93 4.62 0.00 3.87 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.41 4.27 0.00 1.66 1.62 0.87 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 7.95 3.88 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 9 D 7.65 4.42 0.00 3.02 2.86 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 10 P 0.00 4.47 0.00 2.21 2.13 0.00 3.80 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.17 0.00 11 Y 7.97 3.97 0.00 3.16 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 12 L 8.25 3.82 0.00 0.68 0.52 0.35 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.71 4.59 0.00 3.06 2.95 0.00 0.00 6.98 7.04 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 14 T 8.16 3.82 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 1.16 0.00 0.00 15 L 7.63 3.86 0.00 1.73 1.61 0.65 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.28 4.13 0.00 2.11 2.20 0.00 3.26 0.00 0.00 3.41 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 17 K 8.60 3.88 0.00 1.86 1.88 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.46 7.81 18 E 8.34 4.30 0.00 1.99 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 2.29 2.38 0.00 19 R 7.63 3.73 0.00 1.93 2.09 0.00 3.15 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 20 V 7.74 3.90 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 0.68 0.00 0.00 0.93 0.00 0.00 21 P 0.00 4.51 0.00 2.10 1.97 0.00 3.57 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 22 V 9.04 4.97 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 0.92 0.00 0.00 0.98 0.00 0.00 23 S 9.10 5.12 0.00 3.82 3.47 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 0.00 24 I 8.59 4.88 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 1.26 0.63 0.94 0.00 0.00 25 Y 9.09 4.81 0.00 2.96 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 26 L 8.88 5.00 0.00 1.76 1.69 0.94 0.79 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 27 V 8.81 3.76 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 0.72 0.00 0.00 1.00 0.00 0.00 28 N 8.25 4.79 0.00 2.81 2.90 0.00 0.00 6.19 7.00 0.00 0.00 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 G 8.31 4.11 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 0.00 0.00 0.00 30 I 7.85 3.83 1.99 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 1.12 0.80 0.89 0.00 0.00 31 K 8.52 4.46 0.00 1.40 1.52 0.00 1.52 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.02 0.53 7.81 32 L 8.76 4.79 0.00 1.51 1.49 0.92 0.71 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 33 Q 9.22 4.86 0.00 1.82 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.14 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 34 G 7.17 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 8.09 4.91 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.94 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 36 I 8.17 4.26 1.89 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.14 1.03 0.00 0.00 37 E 9.27 4.17 0.00 1.98 2.13 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 2.32 2.26 0.00 38 S 7.84 4.78 0.00 3.80 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 39 F 7.85 5.19 0.00 3.26 3.01 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 0.00 0.00 0.00 40 D 8.67 4.64 0.00 2.86 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 41 Q 8.91 4.10 0.00 1.85 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.90 0.00 0.00 0.00 0.00 0.00 1.16 1.90 0.00 42 F 8.10 4.91 0.00 3.39 3.17 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 43 V 8.66 5.05 1.94 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 0.24 0.00 0.00 0.96 0.00 0.00 44 I 8.54 4.90 1.89 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.73 0.94 0.00 0.00 45 L 9.10 4.86 0.00 1.74 1.70 0.96 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.95 5.30 0.00 1.77 1.47 0.94 0.32 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 47 K 8.70 4.57 0.00 1.76 1.92 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.31 1.52 7.81 48 N 8.36 4.26 0.00 2.68 2.64 0.00 0.00 7.21 7.91 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 49 T 8.14 4.10 4.23 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 1.20 0.00 0.00 50 V 7.41 4.43 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 1.00 0.00 0.00 0.93 0.00 0.00 51 S 8.47 5.21 0.00 3.91 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.98 4.65 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.56 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 53 M 8.58 4.79 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.19 0.00 54 V 8.67 4.40 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 1.03 0.00 0.00 0.94 0.00 0.00 55 Y 8.68 4.58 0.00 3.10 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 56 K 9.18 4.03 0.00 2.00 1.93 0.00 1.84 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.49 1.57 7.81 57 T 8.29 3.88 4.29 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 0.00 0.00 0.00 1.32 0.00 0.00 58 A 8.35 4.59 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 59 I 7.65 4.59 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 1.40 0.87 1.03 0.00 0.00 60 S 9.23 4.63 0.00 3.83 4.01 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 0.00 0.00 0.00 61 T 7.75 4.70 4.22 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 1.16 0.00 0.00 62 V 8.46 4.77 2.21 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 0.95 0.00 0.00 0.98 0.00 0.00 63 V 9.01 4.44 2.31 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 1.08 0.00 0.00 1.04 0.00 0.00 64 P 0.00 4.85 0.00 2.11 1.90 0.00 3.82 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 65 S 8.74 4.53 0.00 3.90 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.67 4.69 0.00 1.87 1.88 0.00 3.04 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 67 P 0.00 4.32 0.00 2.06 2.05 0.00 3.63 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 2.03 2.13 0.00 68 V 7.93 4.41 1.90 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 0.61 0.00 0.00 0.80 0.00 0.00 69 R 8.32 4.07 0.00 1.91 1.93 0.00 3.04 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 1.57 1.65 0.00 70 L 8.32 4.06 0.00 1.66 1.67 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.48 0.00 2.07 2.01 0.00 3.74 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.18 0.00