NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.1397 8.3101 121.7897 55.7809 33.9964 175.5572 20 A 4.2010 7.6023 119.7143 49.7451 19.9829 173.1216 21 K 4.1674 8.7996 120.4749 56.7811 33.4859 176.7995 22 V 3.4661 8.5492 124.6076 65.5933 31.6869 177.8444 23 K 4.1363 8.1192 119.7825 58.9219 32.0262 176.8083 24 A 4.4339 7.9204 119.7367 52.7882 18.6767 177.5262 25 T 4.4210 7.9055 111.7893 63.2353 69.5558 173.4776 26 L 4.7375 7.3024 120.1916 52.5333 46.2858 176.5451 27 G 3.9023 7.8635 112.3797 45.7557 0.0000 173.5305 28 E 4.4586 8.7344 124.1258 55.4950 30.1060 175.6695 29 F 4.9244 9.7393 119.0641 54.8955 40.3412 174.9016 30 D 4.6321 8.5776 123.9351 52.9448 40.1763 176.2075 31 L 4.4552 7.9597 130.1884 56.2281 40.6113 177.8956 32 R 4.4239 8.3710 119.7187 57.2151 32.1356 174.9424 33 D 4.5381 7.3703 117.5151 53.8987 39.4541 175.1444 34 Y 4.5525 8.1686 124.3606 57.0938 38.2274 177.1961 35 R 4.3435 7.6388 120.7203 57.5485 33.3723 176.7449 36 N 4.6802 8.0726 116.4262 54.2393 34.9752 175.9605 37 V 3.3687 6.8300 114.2708 65.1171 32.1332 177.8201 38 E 4.1361 7.8848 114.6564 57.6623 29.7315 177.5402 39 V 4.2520 7.7980 116.8476 64.4256 33.2865 177.2882 40 L 4.2802 7.6516 116.0912 58.3847 41.5241 179.8800 41 K 4.0074 8.8592 118.3714 58.7987 32.1307 176.8084 42 R 4.5775 8.3531 118.1574 56.3075 31.2974 176.0286 43 F 4.8696 8.6748 112.8450 56.5728 41.4909 175.5825 44 L 5.5178 8.0247 121.7864 58.4438 41.9335 178.1876 45 S 3.7170 6.7397 116.5097 58.4682 67.3159 172.3537 46 E 4.5064 8.7544 119.1784 58.3107 31.3000 177.6154 47 T 4.7016 7.2173 113.3479 63.9743 68.6580 175.4577 48 G 4.0445 7.5449 107.4041 45.0257 0.0000 174.6225 49 K 4.2776 8.0611 119.7092 56.3842 33.5169 176.2455 50 I 4.3794 8.2091 123.7127 60.8775 37.6170 176.1687 51 L 4.3099 8.7255 127.8213 54.1686 42.4076 175.6376 52 P 4.6140 0.0000 0.0000 61.8472 32.4781 177.7678 53 R 4.6055 8.4875 118.4468 58.9970 30.0950 179.3806 54 R 3.9866 8.0864 115.3936 58.3346 30.3706 176.5092 55 R 4.5161 8.3226 115.2575 57.9034 32.4439 178.2379 56 T 3.9101 8.0159 107.5502 63.0320 68.7001 175.8559 57 G 3.9102 8.3911 108.3214 45.4667 0.0000 173.3082 58 L 4.4421 7.6968 119.6045 54.3429 42.8210 176.0801 59 S 4.7145 8.3616 114.4763 57.9768 66.6667 172.8990 60 A 3.9239 8.8228 120.8369 55.4630 17.6333 179.3207 61 K 3.7165 8.1809 115.5523 59.0523 32.8064 178.4130 62 E 3.8152 8.0333 118.4636 59.7445 29.3436 179.3065 63 Q 3.8232 8.3468 119.1544 59.3364 29.1944 178.3212 64 R 3.9953 7.7106 118.7155 59.5746 30.0597 179.0752 65 I 3.7052 7.8284 112.4143 63.6898 37.3095 178.1139 66 L 3.7926 7.8751 121.8776 57.9927 41.7843 178.4665 67 A 3.9284 8.3801 120.3302 55.8801 18.4691 179.2495 68 K 3.9841 8.2454 117.1846 58.9933 32.0629 179.2321 69 T 3.9646 7.8874 109.6378 65.7042 68.7904 176.0182 70 I 3.9382 8.0233 123.3976 63.6077 37.0198 178.6111 71 K 4.0901 8.7624 119.8456 59.6622 31.7228 179.0457 72 R 3.8730 8.3081 116.9085 59.4949 30.2472 178.3971 73 A 4.2285 8.1151 119.1824 55.7343 18.4048 179.3114 74 R 4.2368 7.8463 116.4370 58.9446 30.0726 179.3203 75 I 4.0359 7.6978 117.6300 64.2933 37.0177 177.6613 76 L 4.3538 8.3176 118.1175 54.4024 41.1713 178.0301 77 G 3.9449 7.9682 107.0088 46.2848 0.0000 174.8421 78 L 4.2701 7.4087 117.0490 55.5708 42.2324 176.7719 79 L 4.4923 7.0816 117.5954 52.7945 45.5234 172.9157 80 P 4.6061 0.0000 0.0000 62.5497 32.3383 176.0657 81 F 4.7940 8.1658 117.0762 59.3079 39.9711 176.0418 82 T 4.7206 7.5634 111.2153 61.6683 70.0969 172.1657 83 E 4.8343 8.7039 123.5414 54.9449 33.2576 174.5843 84 K 4.4480 8.6192 122.0823 56.0302 33.0279 176.7667 85 L 4.1466 8.5011 125.6082 54.8509 42.8655 176.1575 86 V 4.1742 7.9533 123.7736 61.7817 33.8080 172.2121 87 R 3.6689 8.5906 131.8715 56.0473 28.2183 175.8015 88 K 4.1608 8.4489 124.6929 56.3329 32.2908 175.7883 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 19 K 8.31 4.14 0.00 1.72 1.90 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.51 7.81 20 A 7.60 4.20 1.22 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 0.00 0.00 21 K 8.80 4.17 0.00 1.81 1.86 0.00 2.01 0.00 0.00 1.86 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.39 7.81 22 V 8.55 3.47 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 0.26 0.00 0.00 0.85 0.00 0.00 23 K 8.12 4.14 0.00 2.15 2.00 0.00 2.06 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.63 1.73 7.81 24 A 7.92 4.43 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 25 T 7.91 4.42 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 1.13 0.00 0.00 26 L 7.30 4.74 0.00 0.79 1.15 0.73 0.74 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 27 G 7.86 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 28 E 8.73 4.46 0.00 2.03 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 2.35 2.32 0.00 29 F 9.74 4.92 0.00 3.10 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 30 D 8.58 4.63 0.00 2.80 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.96 4.46 0.00 1.52 1.28 0.62 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.37 4.42 0.00 1.67 2.17 0.00 3.31 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 33 D 7.37 4.54 0.00 2.96 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.17 4.55 0.00 3.20 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 35 R 7.64 4.34 0.00 1.61 1.78 0.00 3.02 0.00 0.00 3.13 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.50 0.00 36 N 8.07 4.68 0.00 2.95 2.97 0.00 0.00 6.28 7.68 0.00 0.00 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 V 6.83 3.37 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 1.01 0.00 0.00 0.93 0.00 0.00 38 E 7.88 4.14 0.00 1.93 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 2.32 2.32 0.00 39 V 7.80 4.25 2.47 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 1.24 0.00 0.00 1.09 0.00 0.00 40 L 7.65 4.28 0.00 1.89 1.80 1.01 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.86 4.01 0.00 1.78 1.95 0.00 1.69 0.00 0.00 1.64 0.00 0.00 3.10 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.56 7.81 42 R 8.35 4.58 0.00 1.67 1.60 0.00 3.01 0.00 0.00 3.05 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.47 0.00 43 F 8.67 4.87 0.00 3.05 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 44 L 8.02 5.52 0.00 1.67 1.69 1.04 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 45 S 6.74 3.72 0.00 4.08 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 46 E 8.75 4.51 0.00 1.97 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 2.29 2.24 0.00 47 T 7.22 4.70 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 1.27 0.00 0.00 48 G 7.54 4.04 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 49 K 8.06 4.28 0.00 1.80 1.78 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.46 7.81 50 I 8.21 4.38 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.77 0.92 0.00 0.00 51 L 8.73 4.31 0.00 1.67 1.68 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.61 0.00 2.20 1.98 0.00 3.65 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 2.13 2.12 0.00 53 R 8.49 4.61 0.00 1.89 2.01 0.00 3.42 0.00 0.00 3.30 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 54 R 8.09 3.99 0.00 1.82 2.02 0.00 3.17 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 55 R 8.32 4.52 0.00 1.99 1.95 0.00 3.38 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 56 T 8.02 3.91 4.54 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 0.00 0.00 0.00 1.52 0.00 0.00 57 G 8.39 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 0.00 0.00 0.00 58 L 7.70 4.44 0.00 1.62 1.61 1.12 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.36 4.71 0.00 4.06 4.03 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 0.00 0.00 0.00 0.00 60 A 8.82 3.92 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 61 K 8.18 3.72 0.00 1.81 1.81 0.00 1.74 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.53 7.81 62 E 8.03 3.82 0.00 2.13 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 0.00 2.20 2.28 0.00 63 Q 8.35 3.82 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 64 R 7.71 4.00 0.00 2.06 1.96 0.00 3.16 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 65 I 7.83 3.71 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.71 0.87 0.00 0.00 66 L 7.88 3.79 0.00 1.55 1.77 0.52 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.38 3.93 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 68 K 8.25 3.98 0.00 1.85 1.78 0.00 1.58 0.00 0.00 1.68 0.00 0.00 3.12 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.47 7.81 69 T 7.89 3.96 4.35 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 1.38 0.00 0.00 70 I 8.02 3.94 1.87 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.27 0.94 0.00 0.00 71 K 8.76 4.09 0.00 1.88 1.93 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.51 1.82 7.81 72 R 8.31 3.87 0.00 1.86 1.95 0.00 3.07 0.00 0.00 2.69 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 73 A 8.12 4.23 1.45 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 0.00 0.00 74 R 7.85 4.24 0.00 2.17 1.45 0.00 3.44 0.00 0.00 3.77 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 75 I 7.70 4.04 2.03 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.83 0.97 0.00 0.00 76 L 8.32 4.35 0.00 1.92 1.72 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.97 3.94 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 0.00 0.00 0.00 78 L 7.41 4.27 0.00 1.86 1.72 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.08 4.49 0.00 1.68 1.44 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.61 0.00 2.34 2.01 0.00 3.72 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 1.98 2.18 0.00 81 F 8.17 4.79 0.00 3.09 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 82 T 7.56 4.72 4.32 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 0.00 0.00 0.00 1.32 0.00 0.00 83 E 8.70 4.83 0.00 2.05 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 2.36 2.41 0.00 84 K 8.62 4.45 0.00 1.68 1.79 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.68 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.39 7.81 85 L 8.50 4.15 0.00 1.59 1.57 0.93 0.88 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 86 V 7.95 4.17 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 0.86 0.00 0.00 0.99 0.00 0.00 87 R 8.59 3.67 0.00 1.98 1.97 0.00 3.25 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 88 K 8.45 4.16 0.00 1.73 1.64 0.00 1.88 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.34 7.81