NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4331 8.3349 115.2952 58.4825 63.2176 173.9498 5 S 4.5183 8.3629 120.9427 57.8696 63.0546 174.7545 6 L 4.2622 8.0147 124.4968 58.0168 41.8905 177.7079 7 Y 4.0934 8.0941 119.3681 60.5487 38.7868 177.0858 8 K 4.4167 7.5916 116.6623 57.7280 32.1871 178.4665 9 T 4.0170 7.1183 110.4345 63.9105 69.3564 176.7295 10 F 3.9918 7.5169 118.8423 59.3191 39.3949 176.5442 11 F 4.6222 7.4974 113.3872 56.1123 41.0976 175.7066 12 K 3.8177 8.6240 119.2091 57.7619 28.5818 175.9235 13 R 4.0642 8.1613 111.2038 56.6619 29.6290 176.9820 14 N 4.8391 7.9958 115.4520 51.6348 40.1377 174.8611 15 A 4.2121 8.0225 122.7327 51.2098 19.1886 177.6992 16 V 3.1023 7.6492 119.8625 62.4478 32.3957 176.5047 17 F 4.7811 7.9509 125.1297 56.3039 41.6003 177.1413 18 V 3.3850 8.4880 115.1424 64.7778 31.2922 179.1450 19 G 3.5841 7.9338 104.4711 48.2669 0.0000 175.7295 20 T 4.0067 7.8976 117.7591 66.1397 68.5100 176.8876 21 I 3.6915 7.7053 121.7993 64.4549 37.1930 178.4346 22 F 4.6296 8.8058 118.7355 60.6954 38.6117 177.6592 23 A 3.9584 8.3640 120.5177 55.1671 18.1384 179.9697 24 G 3.6389 8.5325 104.1994 47.7988 0.0000 175.8308 25 A 4.1471 8.2354 123.1506 55.1530 18.3020 179.7041 26 F 4.1147 8.6404 116.0324 60.6104 38.9671 178.1507 27 V 3.6435 7.8712 118.0153 65.9333 31.4317 177.6197 28 F 4.0021 8.5719 120.7315 61.5055 39.2032 176.5290 29 Q 4.0751 8.4221 118.9919 59.8455 28.7967 178.9940 30 T 3.8948 7.5150 115.8484 66.4756 68.6007 177.1146 31 V 3.5281 7.6227 120.0672 66.0342 31.5817 177.7839 32 F 3.9763 8.2125 120.6989 61.2256 39.0032 176.5126 33 D 4.1278 7.8699 117.1777 57.5990 40.9411 178.4548 34 T 3.8159 7.7436 115.5386 66.4841 68.5265 176.5335 35 A 3.9664 7.9749 122.7133 55.2408 18.2437 179.8596 36 I 3.6225 7.4201 118.0664 64.7662 37.1861 178.6385 37 T 3.9292 8.0132 116.7653 66.7291 68.2483 176.8019 38 S 4.1194 8.3400 117.0746 61.4096 62.9589 176.3669 39 W 4.0643 8.1602 130.8268 60.6600 30.3390 177.3490 40 Y 4.1141 8.6468 119.5643 61.0005 38.1396 177.8591 41 E 3.9216 8.4090 118.4241 59.0899 29.7981 178.7373 42 N 4.2736 8.0979 117.2077 57.0039 38.8946 176.3703 43 H 3.6623 7.7054 118.4070 58.3779 29.8169 175.7189 44 N 4.7064 7.2858 116.6844 51.4239 39.3289 174.3087 45 K 4.1215 7.1190 122.2778 58.0469 32.7178 175.1557 46 G 4.1814 9.7540 114.8573 45.8608 0.0000 174.7938 47 K 4.2253 7.5657 117.3651 57.6442 33.1623 177.9781 48 L 4.2729 7.6875 118.3410 54.0856 43.5147 177.6892 49 W 4.4264 8.7920 130.1243 60.4951 30.4587 178.1168 50 K 3.6282 8.1782 117.4297 59.9313 31.8943 178.2865 51 D 4.3897 7.8587 117.9793 56.9047 40.9363 178.8649 52 V 3.5748 7.3899 118.5266 65.5121 31.3921 178.0008 53 K 3.3994 7.3935 119.0541 58.5443 31.6598 178.0789 54 A 4.1619 7.1332 118.5587 53.3580 18.2989 177.8688 55 R 4.5346 7.4291 114.9841 55.4512 31.0015 175.5706 56 I 4.5447 7.2057 117.8682 59.6625 40.6596 175.4366 57 A 4.2343 8.1298 124.6827 52.2419 20.7855 176.3506 58 A 4.1279 8.4434 124.9056 53.4767 19.0151 175.7889 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 4 S 8.33 4.43 0.00 3.89 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 5 S 8.36 4.52 0.00 4.00 3.87 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 0.00 0.00 0.00 6 L 8.01 4.26 0.00 1.86 1.81 1.17 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.09 4.09 0.00 3.17 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 8 K 7.59 4.42 0.00 1.98 1.87 0.00 1.81 0.00 0.00 1.81 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.61 7.81 9 T 7.12 4.02 3.77 0.00 0.00 0.00 0.00 0.00 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 10 F 7.52 3.99 0.00 1.96 1.60 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.50 4.62 0.00 2.14 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.62 3.82 0.00 1.97 1.83 0.00 1.81 0.00 0.00 1.86 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.61 1.34 7.81 13 R 8.16 4.06 0.00 2.13 2.21 0.00 3.12 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.77 0.00 14 N 8.00 4.84 0.00 3.02 2.73 0.00 0.00 6.90 6.87 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 15 A 8.02 4.21 1.11 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 16 V 7.65 3.10 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 -0.05 0.00 0.00 17 F 7.95 4.78 0.00 3.18 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.49 3.38 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 0.42 0.00 0.00 0.82 0.00 0.00 19 G 7.93 3.58 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 0.00 0.00 0.00 20 T 7.90 4.01 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 21 I 7.71 3.69 1.90 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 1.61 0.74 0.97 0.00 0.00 22 F 8.81 4.63 0.00 3.13 2.97 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 0.00 0.00 0.00 23 A 8.36 3.96 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.53 3.64 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 0.00 0.00 0.00 25 A 8.24 4.15 1.58 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 0.00 0.00 26 F 8.64 4.11 0.00 3.15 3.20 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 0.00 27 V 7.87 3.64 2.36 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 1.07 0.00 0.00 1.11 0.00 0.00 28 F 8.57 4.00 0.00 3.30 3.27 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 29 Q 8.42 4.08 0.00 2.37 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.61 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 30 T 7.51 3.89 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 1.22 0.00 0.00 31 V 7.62 3.53 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 0.98 0.00 0.00 1.02 0.00 0.00 32 F 8.21 3.98 0.00 1.78 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.87 4.13 0.00 2.95 2.73 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 34 T 7.74 3.82 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 1.21 0.00 0.00 35 A 7.97 3.97 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 36 I 7.42 3.62 1.52 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 -0.07 0.74 0.00 0.00 37 T 8.01 3.93 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 1.26 0.00 0.00 38 S 8.34 4.12 0.00 4.13 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 39 W 8.16 4.06 0.00 3.55 3.41 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 40 Y 8.65 4.11 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 E 8.41 3.92 0.00 2.03 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 2.42 2.59 0.00 42 N 8.10 4.27 0.00 2.80 2.76 0.00 0.00 6.76 7.17 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 43 H 7.71 3.66 0.00 1.69 2.68 0.00 5.97 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 7.29 4.71 0.00 2.52 2.57 0.00 0.00 6.52 8.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.12 4.12 0.00 1.84 1.62 0.00 1.69 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.32 7.81 46 G 9.75 4.18 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 0.00 0.00 0.00 47 K 7.57 4.23 0.00 1.87 1.84 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.35 7.81 48 L 7.69 4.27 0.00 1.92 1.70 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 49 W 8.79 4.43 0.00 3.36 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 50 K 8.18 3.63 0.00 1.71 1.81 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.59 7.81 51 D 7.86 4.39 0.00 2.77 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.39 3.57 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 1.04 0.00 0.00 1.08 0.00 0.00 53 K 7.39 3.40 0.00 0.79 1.24 0.00 1.50 0.00 0.00 1.46 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.15 0.97 7.81 54 A 7.13 4.16 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 55 R 7.43 4.53 0.00 1.81 1.86 0.00 3.07 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.64 0.00 56 I 7.21 4.54 1.81 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 1.35 0.86 0.94 0.00 0.00 57 A 8.13 4.23 1.19 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 0.00 0.00 58 A 8.44 4.13 1.20 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 0.00 0.00 0.00