NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.1299 8.2644 123.5816 51.9839 21.0869 176.7250 3 K 3.6501 8.0301 113.2301 57.2475 30.2718 170.2621 4 E 4.5551 7.5253 122.2448 56.8664 34.2318 176.5815 5 P 4.2401 0.0000 0.0000 65.8404 30.9407 177.7648 6 C 4.1534 8.1282 117.4034 61.4731 31.5991 174.3718 7 V 4.1454 7.5233 118.5568 64.4119 32.3630 177.2964 8 E 4.0143 8.4060 118.6322 59.2054 27.7191 179.4367 9 S 4.1839 8.0419 114.1613 61.1574 63.0812 176.1141 10 L 4.0808 7.7708 121.7723 56.2300 41.3777 179.3490 11 V 3.6412 7.4525 119.4807 66.0601 31.4544 178.0704 12 S 4.2059 8.0530 113.5740 61.6712 62.6626 176.2785 13 Q 4.1685 7.5031 119.0196 58.8086 28.2910 177.6485 14 Y 4.3356 8.2322 122.0271 59.7338 38.3987 177.6092 15 F 4.1181 8.2416 121.6996 61.2395 39.7650 176.4689 16 Q 4.4138 7.7421 115.0055 56.3141 28.5279 178.1369 17 T 3.8610 7.3861 118.0877 66.7589 68.5468 176.6465 18 V 3.8684 7.3561 118.9993 65.3207 31.5619 177.9973 19 T 3.7426 7.0538 112.8660 66.9599 68.1723 175.8404 20 D 4.4248 7.7395 119.0403 56.8177 40.8013 178.2612 21 Y 4.4225 7.7111 119.2165 60.6251 38.7525 178.3036 22 G 3.4713 8.3672 106.8067 47.3542 0.0000 175.9652 23 K 3.9717 7.6682 120.9926 59.5173 31.7108 179.1203 24 D 4.6144 7.8147 119.9916 56.7548 40.6066 178.7423 25 L 3.7260 7.3659 119.4014 57.9842 41.6055 179.4070 26 M 4.0396 7.9846 118.6307 58.3695 31.4900 178.6792 27 E 3.9876 8.0013 118.4200 59.2520 29.3541 179.4389 28 K 4.0195 7.3955 117.4705 58.9746 32.2062 179.1715 29 V 3.7779 7.2553 117.9041 64.7872 32.3317 176.9489 30 K 4.5786 7.7880 119.6275 54.2083 31.3639 179.4519 31 S 4.5784 7.2644 110.5717 56.6908 64.1110 171.7471 32 P 4.2204 0.0000 0.0000 63.4166 31.6295 177.3631 33 E 4.1462 8.6502 123.0852 56.0242 27.4580 174.1626 34 L 4.5925 8.0695 123.5702 53.1161 43.6597 175.3225 35 Q 4.6526 8.3638 124.8675 54.6497 32.2413 174.5434 36 A 4.4681 8.5327 119.8056 52.5159 19.6307 176.6491 37 E 4.5001 7.6039 115.9912 55.0329 31.9134 172.8374 38 A 4.5045 8.3469 133.7954 51.8792 24.1147 178.1075 39 K 3.7436 7.7380 116.1379 59.1218 32.1729 178.6799 40 S 4.1610 8.2054 113.4648 61.5678 62.3218 175.1810 41 Y 4.1748 8.1249 122.3616 60.7412 38.1171 178.0660 42 F 3.9407 8.6802 118.8404 60.4345 39.0760 177.3211 43 E 4.0350 8.1279 117.6105 58.7636 29.3837 179.1054 44 K 3.9284 7.9918 118.6734 59.5321 31.9418 179.3940 45 S 3.8819 7.4298 112.0640 61.1168 62.3291 175.9171 46 K 4.1096 7.4977 120.3895 58.3748 31.7168 179.0083 47 E 3.8699 7.8822 120.3340 59.1225 29.2461 178.5303 48 Q 4.1040 7.8045 117.0585 58.5725 28.7006 178.2077 49 L 4.1076 7.4921 121.0806 57.6759 41.5688 179.2572 50 T 3.8106 7.6463 116.0892 66.3217 68.2779 175.0539 51 P 4.3023 0.0000 0.0000 64.9299 31.4543 178.4058 52 L 4.0531 7.5040 118.4955 58.2921 41.8935 178.8377 53 I 3.9157 7.4980 116.8712 63.2739 38.2457 176.8394 54 K 4.3698 7.9579 117.9846 56.3793 31.9427 178.4827 55 K 3.9422 7.7154 121.7223 59.3060 31.8440 178.4996 56 A 4.1397 8.0201 120.3160 54.1858 18.0599 179.2791 57 G 3.3969 7.7560 103.4899 46.8998 0.0000 174.7613 58 T 4.4716 7.7131 113.2009 61.3046 69.3988 174.3434 59 E 3.6065 7.5026 118.8602 54.8996 31.2520 175.1410 60 L 4.3053 6.7539 123.1678 56.1826 49.3215 176.5040 61 V 3.5896 7.3394 116.6536 66.2225 31.4843 177.6078 62 N 4.5836 8.0574 115.6332 56.1660 38.5301 177.3572 63 F 4.6758 8.1984 119.1897 60.5310 38.8966 177.2236 64 L 4.1377 8.1999 120.0600 58.1670 41.6568 178.9288 65 S 4.0423 7.7107 110.8448 61.2812 62.5802 174.3312 66 Y 4.0348 8.2266 120.3997 59.5016 37.2516 177.0643 67 F 4.6953 8.4957 121.7492 61.4285 39.4965 177.6563 68 V 3.7299 7.4428 116.6745 65.7014 31.1187 177.5198 69 E 4.0847 8.2804 119.6716 59.1245 29.4634 178.4217 70 L 4.3803 7.9699 117.5163 57.2166 41.0741 177.7921 71 G 4.0037 7.8592 105.6774 45.3918 0.0000 174.1433 72 T 4.6262 7.5974 116.2639 63.4009 71.1569 176.1217 73 Q 4.1549 7.8435 118.7344 58.1723 28.7571 175.9264 74 P 4.2686 0.0000 0.0000 64.5732 31.6031 175.9314 75 A 4.2646 7.4458 125.2295 52.2278 18.8668 176.6062 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 2 A 8.26 4.13 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 3 K 8.03 3.65 0.00 1.93 1.81 0.00 1.61 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.58 7.81 4 E 7.53 4.56 0.00 2.00 1.87 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 2.28 2.45 0.00 5 P 0.00 4.24 0.00 2.26 2.31 0.00 3.69 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 2.07 2.02 0.00 6 C 8.13 4.15 0.00 2.98 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 7 V 7.52 4.15 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 1.02 0.00 0.00 0.91 0.00 0.00 8 E 8.41 4.01 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 9 S 8.04 4.18 0.00 4.10 4.19 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 0.00 0.00 0.00 0.00 10 L 7.77 4.08 0.00 1.77 1.74 0.89 0.76 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 11 V 7.45 3.64 2.22 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 1.09 0.00 0.00 1.00 0.00 0.00 12 S 8.05 4.21 0.00 4.11 4.12 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 13 Q 7.50 4.17 0.00 2.11 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.04 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 14 Y 8.23 4.34 0.00 3.27 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 15 F 8.24 4.12 0.00 3.31 3.22 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 0.00 16 Q 7.74 4.41 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.55 2.61 0.00 17 T 7.39 3.86 3.95 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 0.00 0.00 1.02 0.00 0.00 18 V 7.36 3.87 1.91 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 1.09 0.00 0.00 0.78 0.00 0.00 19 T 7.05 3.74 4.33 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 1.20 0.00 0.00 20 D 7.74 4.42 0.00 2.79 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 21 Y 7.71 4.42 0.00 3.06 3.08 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 0.00 0.00 0.00 0.00 22 G 8.37 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 0.00 0.00 0.00 23 K 7.67 3.97 0.00 1.90 1.84 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.44 1.64 7.81 24 D 7.81 4.61 0.00 2.65 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.37 3.73 0.00 1.63 1.54 0.54 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 26 M 7.98 4.04 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.53 0.00 27 E 8.00 3.99 0.00 2.13 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 2.30 2.56 0.00 28 K 7.40 4.02 0.00 1.84 1.83 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.58 7.81 29 V 7.26 3.78 2.17 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 0.81 0.00 0.00 0.98 0.00 0.00 30 K 7.79 4.58 0.00 1.90 1.77 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.65 7.81 31 S 7.26 4.58 0.00 3.91 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 32 P 0.00 4.22 0.00 2.05 2.04 0.00 3.67 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 33 E 8.65 4.15 0.00 1.96 1.93 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 2.31 2.29 0.00 34 L 8.07 4.59 0.00 1.57 1.55 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 8.36 4.65 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 36 A 8.53 4.47 1.27 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 0.00 0.00 0.00 0.00 0.00 37 E 7.60 4.50 0.00 1.89 1.83 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 2.22 2.32 0.00 38 A 8.35 4.50 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 39 K 7.74 3.74 0.00 1.74 1.77 0.00 1.39 0.00 0.00 1.47 0.00 0.00 2.13 0.00 0.00 2.22 0.00 0.00 0.00 0.00 1.37 1.31 7.81 40 S 8.21 4.16 0.00 3.99 3.95 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 0.00 0.00 0.00 41 Y 8.12 4.17 0.00 3.03 3.18 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 42 F 8.68 3.94 0.00 3.16 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 43 E 8.13 4.04 0.00 2.18 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 2.41 2.45 0.00 44 K 7.99 3.93 0.00 1.78 1.81 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.72 1.65 7.81 45 S 7.43 3.88 0.00 3.02 3.44 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 0.00 0.00 0.00 0.00 46 K 7.50 4.11 0.00 1.64 1.81 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.43 7.81 47 E 7.88 3.87 0.00 2.31 1.91 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 2.29 2.44 0.00 48 Q 7.80 4.10 0.00 2.27 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.56 2.36 0.00 49 L 7.49 4.11 0.00 1.93 1.73 0.88 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.65 3.81 4.30 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 1.20 0.00 0.00 51 P 0.00 4.30 0.00 2.00 2.10 0.00 3.78 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 2.01 2.12 0.00 52 L 7.50 4.05 0.00 1.93 1.82 0.91 0.82 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 53 I 7.50 3.92 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.92 1.00 0.00 0.00 54 K 7.96 4.37 0.00 1.87 1.77 0.00 1.72 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.56 7.81 55 K 7.72 3.94 0.00 2.04 1.76 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.58 7.81 56 A 8.02 4.14 1.27 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 0.00 0.00 0.00 0.00 0.00 57 G 7.76 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.71 4.47 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 1.21 0.00 0.00 59 E 7.50 3.61 0.00 1.70 1.74 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 2.22 2.13 0.00 60 L 6.75 4.31 0.00 1.53 1.75 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.34 3.59 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 0.89 0.00 0.00 0.98 0.00 0.00 62 N 8.06 4.58 0.00 3.05 3.07 0.00 0.00 7.10 8.13 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 63 F 8.20 4.68 0.00 3.14 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 64 L 8.20 4.14 0.00 2.00 1.92 0.96 0.89 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 65 S 7.71 4.04 0.00 3.92 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 0.00 66 Y 8.23 4.03 0.00 3.21 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 F 8.50 4.70 0.00 3.15 3.02 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 68 V 7.44 3.73 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 0.83 0.00 0.00 1.03 0.00 0.00 69 E 8.28 4.08 0.00 2.21 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 0.00 2.32 2.31 0.00 70 L 7.97 4.38 0.00 1.91 1.85 1.10 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 71 G 7.86 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 0.00 0.00 0.00 72 T 7.60 4.63 4.26 0.00 0.00 0.00 0.00 0.00 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 73 Q 7.84 4.15 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.99 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 74 P 0.00 4.27 0.00 2.20 2.24 0.00 3.80 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 75 A 7.45 4.26 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00