NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3816 8.2644 123.5842 52.1988 19.2873 175.8563 3 R 4.3965 7.6020 118.4248 53.5473 32.5584 174.9379 4 K 4.1440 8.6000 120.3269 59.2112 33.5422 177.8590 5 A 4.1253 7.9718 119.8926 54.3993 17.7898 178.9425 6 L 4.3181 7.8297 117.3631 56.9715 40.7101 178.9032 7 I 3.7961 7.5567 112.2040 63.6055 37.3309 177.9146 8 E 4.3527 8.0405 119.7518 58.4457 29.6680 178.1781 9 K 4.0572 7.6335 116.8323 58.6813 32.2247 178.1285 10 A 4.1602 7.4071 119.6797 54.5742 18.9142 179.3139 11 K 4.1524 7.2257 114.3225 58.4811 32.2680 177.7182 12 R 3.8840 7.1810 118.2860 57.5029 30.0507 177.0067 13 T 4.6665 8.1445 122.3256 62.5253 69.2846 174.5723 14 P 4.2524 0.0000 0.0000 65.2230 31.7369 176.5984 15 K 4.0141 7.6222 117.3191 54.2560 33.5452 175.7181 16 F 4.2039 7.8386 118.5764 57.7853 39.2420 176.8430 17 K 4.3982 8.6149 119.9983 58.1523 32.9904 178.3694 18 V 3.7838 7.8496 119.7888 66.0631 31.6193 176.7150 19 R 4.2940 7.7093 114.3090 56.9371 30.4596 176.3554 20 A 4.3796 7.7278 122.4055 51.6811 18.1114 176.2411 21 Y 4.3734 8.1016 120.3248 57.5685 39.0000 175.4020 22 T 4.3065 8.0666 110.5023 60.8473 70.7797 173.6584 23 R 4.4998 7.8749 117.3157 55.3084 32.7268 173.6554 24 C 4.1257 9.3872 127.1255 59.7465 31.7551 173.4889 25 V 3.7014 8.3092 127.9363 66.0814 31.5725 177.5873 26 R 4.0381 7.9677 118.9672 58.7761 30.3302 176.5786 27 C 4.7528 7.6843 111.6346 56.2180 31.7200 174.9562 28 G 3.9032 8.3381 111.3755 45.0629 0.0000 171.1413 29 R 4.5253 7.8815 122.5779 54.7613 33.0963 175.7155 30 A 3.8589 8.7863 128.0603 54.2080 19.3983 177.7706 31 R 4.2544 7.9225 113.8321 56.5941 31.4150 176.0575 32 S 3.6057 8.3968 113.0617 59.2012 62.0465 171.9715 33 V 4.4243 7.5673 118.0475 62.7998 32.9199 174.1366 34 Y 4.6024 8.8575 124.9598 56.8354 39.1631 177.1584 35 R 4.0216 8.7545 123.2392 59.3591 30.6740 178.1716 36 F 4.2613 8.5053 118.8689 61.3667 39.6700 176.1542 37 F 3.9948 8.5244 117.5959 58.5305 39.1609 177.0871 38 G 3.9874 8.5828 108.2993 44.9748 0.0000 172.6395 39 L 4.9932 7.7129 119.1011 53.0579 44.7373 175.1354 40 C 5.5106 8.2339 113.8621 56.5229 32.4713 174.0555 41 R 3.8907 8.6609 114.8762 59.8109 29.2612 178.5520 42 I 3.6604 7.6480 119.9603 64.3285 37.2889 177.7773 43 C 4.2320 7.9927 118.2068 62.4964 28.0124 175.2761 44 L 3.4723 7.8391 121.2145 58.7943 41.4669 178.9312 45 R 3.6714 7.8793 117.4093 59.4015 29.4960 178.5358 46 E 3.9230 7.9186 117.6743 59.6463 29.5925 179.4923 47 L 4.0360 7.9972 118.5351 57.5057 41.3878 179.4879 48 A 4.0049 7.8614 120.4288 55.3134 18.3463 178.9992 49 H 4.3655 7.8877 114.0333 59.0140 28.8092 177.8958 50 K 4.1622 7.7115 119.4763 58.4235 32.1854 178.4419 51 G 4.0630 8.3281 106.6094 45.3476 0.0000 174.8804 52 Q 4.1430 7.9333 117.0490 57.2330 29.2974 175.9028 53 L 4.6539 7.6282 119.8371 52.1098 42.6617 174.3151 54 P 4.4454 0.0000 0.0000 63.6678 32.0341 175.8833 55 G 4.2494 8.9487 116.6923 45.9818 0.0000 173.9002 56 V 3.5253 6.7439 118.2142 62.9567 31.4689 175.0567 57 R 4.7053 8.2166 125.7219 53.7148 33.3862 174.2666 58 K 4.0387 8.5407 122.7636 55.8944 32.6450 176.5530 59 A 4.3483 8.5218 129.7027 52.6706 18.9477 178.0191 60 S 4.5850 8.4626 118.2796 56.5668 64.6097 174.2925 61 W 4.5691 7.8718 120.4396 56.2851 28.0425 176.2093 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 4.38 1.29 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 0.00 0.00 0.00 3 R 7.60 4.40 0.00 1.81 1.89 0.00 3.25 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 4 K 8.60 4.14 0.00 1.91 1.78 0.00 1.67 0.00 0.00 1.83 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.56 7.81 5 A 7.97 4.13 1.34 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 6 L 7.83 4.32 0.00 1.75 1.80 1.02 0.82 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 7 I 7.56 3.80 1.88 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 1.67 0.80 1.00 0.00 0.00 8 E 8.04 4.35 0.00 2.04 2.02 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 2.36 2.36 0.00 9 K 7.63 4.06 0.00 1.99 2.06 0.00 1.83 0.00 0.00 1.76 0.00 0.00 3.14 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.50 7.81 10 A 7.41 4.16 1.10 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 11 K 7.23 4.15 0.00 1.69 1.85 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.59 7.81 12 R 7.18 3.88 0.00 1.94 1.92 0.00 3.13 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 13 T 8.14 4.67 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 1.21 0.00 0.00 14 P 0.00 4.25 0.00 2.12 2.14 0.00 3.90 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 15 K 7.62 4.01 0.00 1.79 1.86 0.00 1.68 0.00 0.00 1.35 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.43 7.81 16 F 7.84 4.20 0.00 3.08 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 17 K 8.61 4.40 0.00 1.91 1.98 0.00 1.60 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.48 7.81 18 V 7.85 3.78 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 0.82 0.00 0.00 0.96 0.00 0.00 19 R 7.71 4.29 0.00 2.04 2.10 0.00 3.44 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 20 A 7.73 4.38 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 0.00 0.00 0.00 0.00 0.00 21 Y 8.10 4.37 0.00 3.14 2.98 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 0.00 0.00 0.00 22 T 8.07 4.31 4.27 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 1.24 0.00 0.00 23 R 7.87 4.50 0.00 1.59 1.70 0.00 3.43 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.63 0.00 24 C 9.39 4.13 0.00 3.12 3.21 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 25 V 8.31 3.70 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 0.82 0.00 0.00 0.99 0.00 0.00 26 R 7.97 4.04 0.00 1.84 1.98 0.00 3.23 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 27 C 7.68 4.75 0.00 3.08 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 28 G 8.34 3.90 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 0.00 0.00 0.00 29 R 7.88 4.53 0.00 1.83 1.78 0.00 3.20 0.00 0.00 3.38 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.63 0.00 30 A 8.79 3.86 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 31 R 7.92 4.25 0.00 1.84 1.89 0.00 3.37 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 32 S 8.40 3.61 0.00 4.16 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 33 V 7.57 4.42 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 0.94 0.00 0.00 1.07 0.00 0.00 34 Y 8.86 4.60 0.00 3.30 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 35 R 8.75 4.02 0.00 1.90 2.05 0.00 3.23 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 36 F 8.51 4.26 0.00 2.94 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 37 F 8.52 3.99 0.00 3.12 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 38 G 8.58 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 0.00 0.00 0.00 39 L 7.71 4.99 0.00 1.62 1.55 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.23 5.51 0.00 3.35 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 41 R 8.66 3.89 0.00 2.12 2.42 0.00 3.00 0.00 0.00 3.39 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.76 0.00 42 I 7.65 3.66 1.87 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 1.66 1.20 0.91 0.00 0.00 43 C 7.99 4.23 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 44 L 7.84 3.47 0.00 1.28 1.49 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.88 3.67 0.00 1.93 1.84 0.00 3.15 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.51 0.00 46 E 7.92 3.92 0.00 2.23 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 2.33 2.52 0.00 47 L 8.00 4.04 0.00 1.62 1.69 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.86 4.00 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 49 H 7.89 4.37 0.00 3.44 3.34 0.00 5.66 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.71 4.16 0.00 1.97 1.87 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.68 7.81 51 G 8.33 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 52 Q 7.93 4.14 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 53 L 7.63 4.65 0.00 1.71 1.75 0.75 1.61 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 54 P 0.00 4.45 0.00 2.09 2.02 0.00 3.83 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 55 G 8.95 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.74 3.53 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.31 0.00 0.00 57 R 8.22 4.71 0.00 1.93 1.77 0.00 3.32 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 58 K 8.54 4.04 0.00 1.78 1.73 0.00 1.84 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.40 7.81 59 A 8.52 4.35 1.48 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 0.00 0.00 0.00 60 S 8.46 4.59 0.00 3.86 3.76 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 61 W 7.87 4.57 0.00 3.29 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00