NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.1873 8.3101 121.7861 54.1021 34.4098 176.8450 20 A 4.9328 7.2496 126.9970 51.9135 21.0222 176.3291 21 K 4.6198 7.8214 121.7282 57.3072 32.2699 177.7016 22 V 3.0959 7.5324 124.4476 65.0275 32.5221 176.4987 23 K 3.6520 7.7404 119.7882 60.0752 32.0100 176.2417 24 A 4.3693 7.9619 128.1949 51.9959 16.9136 175.9531 25 T 4.4032 7.6022 117.2347 63.7057 75.3894 173.5780 26 L 5.0140 7.8027 119.5033 52.6121 46.2720 178.6400 27 G 4.2972 8.2363 115.2194 45.4117 0.0000 177.0981 28 E 4.2991 9.0690 131.4480 54.0821 28.7822 174.1922 29 F 4.8139 7.7636 120.3080 54.9289 40.5220 175.5838 30 D 4.6024 8.2794 121.0654 52.3635 40.2677 176.1853 31 L 4.4896 8.2715 122.8734 56.1410 40.1373 177.9278 32 R 4.3172 8.0787 121.5536 57.9719 31.2216 176.5771 33 D 4.1056 7.4953 115.8072 54.3224 41.5613 175.0844 34 Y 4.7642 7.2154 122.2422 56.7362 38.3748 176.1267 35 R 4.6274 8.8199 119.6311 56.7172 32.7023 176.6384 36 N 4.6731 8.6444 117.3546 57.7723 36.4669 179.6632 37 V 3.2017 6.9593 112.8613 64.8072 32.1608 176.9829 38 E 4.2051 8.1724 116.7783 59.8338 29.6990 179.4357 39 V 3.7653 8.4587 118.2914 65.6184 31.5010 178.2291 40 L 3.9639 7.7288 118.3719 57.6546 41.4338 178.7861 41 K 3.7401 9.2139 120.2087 59.8585 31.8360 178.0538 42 R 3.9835 7.5313 115.0405 58.2653 30.1478 177.1135 43 F 4.4352 8.9600 117.1472 59.2369 40.5256 177.3335 44 L 5.3502 8.3174 116.0878 52.8249 40.9779 177.8716 45 S 4.5372 8.2231 123.0811 59.1139 64.6843 176.7438 46 E 4.1558 9.0177 119.0674 58.7026 29.4827 177.9184 47 T 5.3492 8.2640 113.9331 64.5083 71.0592 174.2081 48 G 3.4370 7.3995 108.7380 44.8298 0.0000 173.7318 49 K 4.2830 7.9169 121.1325 56.4384 32.8219 176.4319 50 I 4.3226 7.8646 121.8435 59.5248 35.9127 174.0080 51 L 3.6601 8.0166 120.4143 52.1095 41.5857 175.7051 52 P 4.2381 0.0000 0.0000 63.1115 31.6121 177.0094 53 R 3.6539 9.1740 121.4978 58.9056 29.9776 177.4209 54 R 4.2659 7.9750 110.9501 56.6170 29.9979 176.1025 55 R 4.4449 8.8427 118.0359 58.3720 32.1860 178.1725 56 T 3.5919 7.8755 107.6049 63.0418 68.7777 174.8923 57 G 3.5947 8.1623 108.7879 46.3502 0.0000 172.9781 58 L 4.8405 7.6595 117.4478 52.2707 44.5768 177.1763 59 S 4.3647 8.8411 114.6219 58.5508 63.7783 174.2198 60 A 4.0265 8.4930 123.3413 54.5078 17.9372 179.1447 61 K 3.8081 8.0125 116.3040 59.7659 32.4196 178.4629 62 E 3.9870 8.2890 117.9095 59.6976 29.4103 178.6828 63 Q 4.0113 7.9317 118.9084 59.7647 28.9172 178.9471 64 R 3.8923 7.7005 117.0967 59.5511 30.0040 178.9588 65 I 3.3974 7.3282 118.6965 65.1420 36.7891 177.3816 66 L 4.1810 8.1659 120.9623 56.6991 42.0379 178.4596 67 A 4.1267 8.3274 121.3679 55.5611 18.5839 179.6096 68 K 4.3483 8.7756 111.1878 57.7126 32.1334 178.1011 69 T 4.4759 9.2608 117.4272 65.0242 70.2395 176.2199 70 I 3.7076 7.7607 121.0171 64.4441 37.0654 178.5059 71 K 4.0180 7.9979 118.6997 59.4475 31.8013 179.2717 72 R 3.8107 7.9908 117.5946 59.4666 29.5241 178.4059 73 A 3.9940 8.5772 120.3781 56.1369 18.2075 179.0887 74 R 3.8764 7.9895 117.1703 58.4828 29.7630 178.8719 75 I 3.3224 8.0268 121.9313 64.7426 37.5207 177.3896 76 L 4.1742 7.4050 118.3950 55.4913 42.0559 177.6125 77 G 4.0677 8.8821 107.5856 46.0471 0.0000 174.9494 78 L 4.1166 7.6500 119.5690 55.2985 40.1765 179.9442 79 L 4.0372 9.0191 125.7231 54.9749 42.6800 174.8270 80 P 4.6751 0.0000 0.0000 62.0303 33.1648 175.2663 81 F 4.7780 8.3251 115.1191 59.3935 40.2937 175.7231 82 T 5.1561 6.9690 113.2754 63.5400 72.3756 172.1910 83 E 5.5667 8.2704 124.4083 56.0722 30.8058 176.6795 84 K 4.2244 8.6028 124.0342 56.4528 32.6653 176.6812 85 L 4.3957 8.0882 124.1913 53.6296 43.4153 176.1742 86 V 3.7253 8.4634 121.1090 63.2531 32.6746 176.8101 87 R 3.5306 7.1810 115.3949 56.4478 33.7369 175.9064 88 K 3.9378 8.4436 120.2406 57.7432 32.5742 174.9301 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 4.19 0.00 1.70 1.85 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.48 7.81 20 A 7.25 4.93 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 21 K 7.82 4.62 0.00 1.81 1.79 0.00 1.98 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.63 1.38 7.81 22 V 7.53 3.10 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 0.66 0.00 0.00 23 K 7.74 3.65 0.00 2.20 1.75 0.00 1.81 0.00 0.00 1.95 0.00 0.00 3.16 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.56 7.81 24 A 7.96 4.37 1.28 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 0.00 0.00 0.00 25 T 7.60 4.40 4.36 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 1.15 0.00 0.00 26 L 7.80 5.01 0.00 1.56 1.55 0.70 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.24 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 0.00 0.00 0.00 0.00 28 E 9.07 4.30 0.00 1.92 1.88 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 2.09 2.19 0.00 29 F 7.76 4.81 0.00 3.20 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 30 D 8.28 4.60 0.00 2.72 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.27 4.49 0.00 1.81 1.96 1.04 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.08 4.32 0.00 1.76 2.28 0.00 3.33 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 33 D 7.50 4.11 0.00 2.59 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 7.22 4.76 0.00 3.03 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 35 R 8.82 4.63 0.00 1.67 1.99 0.00 3.21 0.00 0.00 3.46 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 36 N 8.64 4.67 0.00 2.90 3.17 0.00 0.00 6.84 7.64 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 37 V 6.96 3.20 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 0.96 0.00 0.00 0.93 0.00 0.00 38 E 8.17 4.21 0.00 1.93 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 0.00 2.32 2.39 0.00 39 V 8.46 3.77 2.05 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 0.86 0.00 0.00 0.93 0.00 0.00 40 L 7.73 3.96 0.00 1.92 1.66 0.97 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 41 K 9.21 3.74 0.00 1.87 2.04 0.00 1.53 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.53 7.81 42 R 7.53 3.98 0.00 1.93 2.05 0.00 3.19 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.56 0.00 43 F 8.96 4.44 0.00 3.18 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 44 L 8.32 5.35 0.00 1.64 1.14 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.22 4.54 0.00 3.94 3.96 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 46 E 9.02 4.16 0.00 1.98 2.06 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 2.31 2.29 0.00 47 T 8.26 5.35 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 1.28 0.00 0.00 48 G 7.40 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 0.00 0.00 0.00 49 K 7.92 4.28 0.00 1.83 1.79 0.00 1.69 0.00 0.00 1.86 0.00 0.00 3.13 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.43 7.81 50 I 7.86 4.32 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.86 0.98 0.00 0.00 51 L 8.02 3.66 0.00 1.79 1.58 0.87 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.24 0.00 2.22 2.23 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 53 R 9.17 3.65 0.00 1.90 2.04 0.00 3.26 0.00 0.00 3.38 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 54 R 7.98 4.27 0.00 1.95 2.03 0.00 3.08 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 55 R 8.84 4.44 0.00 1.99 1.91 0.00 3.27 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 56 T 7.88 3.59 4.37 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 1.33 0.00 0.00 57 G 8.16 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.66 4.84 0.00 1.72 1.76 1.25 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.84 4.36 0.00 3.99 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 60 A 8.49 4.03 1.32 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 0.00 0.00 0.00 61 K 8.01 3.81 0.00 1.83 1.85 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.57 7.81 62 E 8.29 3.99 0.00 2.18 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 0.00 2.41 2.40 0.00 63 Q 7.93 4.01 0.00 2.41 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 64 R 7.70 3.89 0.00 1.95 1.98 0.00 3.23 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 65 I 7.33 3.40 2.02 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.59 0.96 0.00 0.00 66 L 8.17 4.18 0.00 1.72 1.80 0.49 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.33 4.13 1.41 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 0.00 0.00 68 K 8.78 4.35 0.00 1.83 1.87 0.00 1.56 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.47 7.81 69 T 9.26 4.48 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 70 I 7.76 3.71 1.88 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 1.57 0.68 0.91 0.00 0.00 71 K 8.00 4.02 0.00 1.86 1.91 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.54 1.66 7.81 72 R 7.99 3.81 0.00 2.05 1.75 0.00 3.33 0.00 0.00 3.30 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 73 A 8.58 3.99 1.40 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 74 R 7.99 3.88 0.00 1.93 1.02 0.00 3.24 0.00 0.00 3.40 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.63 0.00 75 I 8.03 3.32 1.99 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 1.56 0.71 0.93 0.00 0.00 76 L 7.40 4.17 0.00 1.77 1.68 0.91 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.88 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 0.00 0.00 0.00 0.00 78 L 7.65 4.12 0.00 1.84 1.26 1.02 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 79 L 9.02 4.04 0.00 1.59 1.52 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.68 0.00 2.15 2.03 0.00 3.67 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.95 0.00 81 F 8.33 4.78 0.00 3.09 3.03 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 82 T 6.97 5.16 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 1.24 0.00 0.00 83 E 8.27 5.57 0.00 2.19 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 0.00 2.32 2.09 0.00 84 K 8.60 4.22 0.00 1.77 1.80 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.39 7.81 85 L 8.09 4.40 0.00 1.71 1.57 1.07 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.46 3.73 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 0.87 0.00 0.00 0.93 0.00 0.00 87 R 7.18 3.53 0.00 2.03 2.19 0.00 3.38 0.00 0.00 3.15 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 88 K 8.44 3.94 0.00 1.79 1.74 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.18 1.17 7.81