NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 H 4.8050 8.4444 117.8361 55.3904 30.5015 172.6069 8 H 3.7763 8.7159 122.2888 56.6919 30.0463 170.9001 *50 E 4.8134 8.4840 124.3547 55.5741 30.3898 173.0753 51 P 4.4305 0.0000 0.0000 62.4931 32.2944 176.9283 52 G 3.9885 8.4582 108.1590 46.3093 0.0000 173.1865 53 D 5.1130 7.6265 122.3904 51.6344 41.9096 176.4723 54 L 4.0774 8.4648 116.3648 58.1376 42.1333 179.4820 55 R 3.9945 8.3011 118.0908 59.1802 30.1423 178.1931 56 H 4.0596 8.1814 117.1034 58.7797 29.7410 175.2251 57 D 4.8002 7.8592 115.9941 53.8405 41.1889 175.9167 58 L 4.8848 7.4485 119.8128 52.6239 44.2179 176.7455 59 N 4.7186 8.9318 120.8946 51.9982 39.9030 176.1594 60 Q 3.9844 8.4918 120.3716 59.3183 29.0013 177.8914 61 Q 3.9357 7.9983 119.9908 59.1674 29.1563 177.8596 62 E 3.9336 8.0976 118.9646 59.5813 29.6263 179.1149 63 R 3.9427 8.4234 118.2037 59.5008 30.1715 178.9653 64 A 4.0023 8.4316 120.5587 55.3276 18.3852 179.4721 65 T 3.8045 8.4524 114.6212 67.1201 68.6426 176.6122 66 L 4.2729 8.2624 120.8585 57.8666 41.7789 179.5984 67 S 4.1381 8.5619 114.6959 61.7453 62.6448 176.7088 68 S 3.9853 8.0723 116.5734 60.8320 62.0539 175.7079 69 N 3.5309 7.9639 119.2217 56.1754 38.2972 177.4890 70 V 3.3311 7.2634 119.2847 65.8952 31.3204 177.8629 71 Q 3.8463 7.4096 118.2860 58.8292 28.9524 177.7886 72 R 3.9482 7.6057 118.9194 59.4872 30.4987 177.9659 73 F 4.7426 7.8227 118.0307 60.6900 38.5018 178.2758 74 F 4.2053 8.4884 118.9967 57.9465 38.7597 175.9666 *76 I 4.0625 7.5976 107.7895 59.8486 38.7324 176.0309 77 G 3.8551 8.0085 107.1044 45.8324 0.0000 173.5241 78 H 4.5347 7.9806 118.9633 56.1237 30.9380 176.5550 79 G 3.6147 8.1650 112.1344 44.4616 0.0000 171.8500 80 S 4.5874 8.5664 113.0077 56.3738 65.4528 173.4643 81 L 5.4590 8.8213 129.5922 53.7674 43.3900 175.1989 82 T 4.9327 9.0559 115.7497 59.8104 72.6596 172.5284 83 A 5.3133 8.5829 122.9910 50.4673 22.0654 175.3457 84 D 4.9120 8.8981 119.9963 51.5803 42.3867 174.5990 85 A 4.1013 9.0743 121.0443 56.1084 18.0954 179.2600 86 G 3.9559 8.2644 102.6459 46.6431 0.0000 174.9766 87 G 4.2165 7.7656 111.8108 45.8271 0.0000 173.3316 88 L 5.2433 8.4492 125.0425 53.3824 44.3571 175.2990 89 T 4.7520 8.8647 116.7913 62.1742 72.4738 172.2944 90 Y 5.4079 8.8001 126.7745 56.1394 41.9067 174.0203 91 T 4.7417 8.2462 120.3085 60.2587 71.0035 172.7710 92 V 4.6317 8.1476 126.3126 60.3484 34.4805 174.2335 93 S 5.1301 8.2306 118.0756 56.9130 66.0963 173.1776 94 W 4.5361 8.2032 117.5903 56.1585 29.9247 173.6801 95 V 3.9590 8.4391 119.6484 60.5724 31.7174 174.1203 96 P 4.8884 0.0000 0.0000 61.6077 32.8266 176.1846 97 T 4.0462 8.4252 108.5239 61.9613 70.1086 174.4819 98 K 3.8637 8.7091 122.9653 59.9879 31.8622 178.6904 99 Q 3.9668 8.0965 119.1201 59.3392 28.9728 178.2993 100 I 3.8877 7.2721 117.3309 63.9988 37.3452 177.8589 101 Q 3.9262 8.4894 120.9081 59.4611 28.5734 178.8648 102 R 4.0155 8.1524 118.3075 59.2105 30.1334 178.8870 103 K 4.1552 7.4176 117.4382 58.5004 32.2288 178.8292 104 V 4.2245 7.7738 109.6834 60.8996 32.7326 175.7619 105 A 4.2687 8.4054 126.7909 52.1277 19.0796 175.6606 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 7 H 8.44 4.80 0.00 3.19 3.29 0.00 5.70 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.72 3.78 0.00 3.31 3.25 0.00 5.89 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *50 E 8.48 4.81 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 2.35 2.19 0.00 51 P 0.00 4.43 0.00 2.21 2.13 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 52 G 8.46 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 53 D 7.63 5.11 0.00 2.91 2.83 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 0.00 0.00 0.00 54 L 8.46 4.08 0.00 1.71 1.74 0.85 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 55 R 8.30 3.99 0.00 2.02 2.01 0.00 3.18 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 56 H 8.18 4.06 0.00 3.33 3.46 0.00 5.74 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 D 7.86 4.80 0.00 2.72 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 7.45 4.88 0.00 1.64 1.56 0.94 1.04 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 59 N 8.93 4.72 0.00 2.95 2.96 0.00 0.00 6.55 7.13 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 60 Q 8.49 3.98 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 61 Q 8.00 3.94 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 62 E 8.10 3.93 0.00 2.24 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 2.42 2.42 0.00 63 R 8.42 3.94 0.00 1.96 2.02 0.00 3.34 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 64 A 8.43 4.00 1.37 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 0.00 0.00 0.00 65 T 8.45 3.80 4.47 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 1.27 0.00 0.00 66 L 8.26 4.27 0.00 1.97 2.06 1.01 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.56 4.14 0.00 3.99 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 68 S 8.07 3.99 0.00 3.87 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 69 N 7.96 3.53 0.00 2.69 1.80 0.00 0.00 6.64 7.04 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 70 V 7.26 3.33 2.14 0.00 0.00 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 0.77 0.00 0.00 71 Q 7.41 3.85 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.23 0.00 72 R 7.61 3.95 0.00 1.71 1.64 0.00 3.39 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 73 F 7.82 4.74 0.00 3.20 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 74 F 8.49 4.21 0.00 2.82 2.91 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 *76 I 7.60 4.06 1.90 0.00 0.00 1.00 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 77 G 8.01 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 0.00 0.00 0.00 78 H 7.98 4.53 0.00 3.07 3.20 0.00 5.84 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 G 8.16 3.61 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 0.00 0.00 0.00 80 S 8.57 4.59 0.00 3.76 3.61 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 81 L 8.82 5.46 0.00 1.81 1.57 1.21 1.05 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 82 T 9.06 4.93 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 1.23 0.00 0.00 83 A 8.58 5.31 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 84 D 8.90 4.91 0.00 2.68 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 85 A 9.07 4.10 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 86 G 8.26 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 0.00 0.00 0.00 87 G 7.77 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 0.00 0.00 0.00 0.00 88 L 8.45 5.24 0.00 1.59 1.67 0.98 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 89 T 8.86 4.75 4.29 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 1.25 0.00 0.00 90 Y 8.80 5.41 0.00 3.20 2.93 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 0.00 0.00 0.00 91 T 8.25 4.74 4.17 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 1.16 0.00 0.00 92 V 8.15 4.63 1.76 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 0.80 0.00 0.00 0.83 0.00 0.00 93 S 8.23 5.13 0.00 3.87 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 94 W 8.20 4.54 0.00 3.22 2.83 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 0.00 0.00 0.00 95 V 8.44 3.96 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 0.85 0.00 0.00 0.92 0.00 0.00 96 P 0.00 4.89 0.00 2.26 1.93 0.00 3.66 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.74 0.00 97 T 8.43 4.05 4.29 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 1.30 0.00 0.00 98 K 8.71 3.86 0.00 1.90 1.88 0.00 1.62 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.58 7.81 99 Q 8.10 3.97 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 100 I 7.27 3.89 2.01 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 1.43 0.73 0.90 0.00 0.00 101 Q 8.49 3.93 0.00 2.28 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.53 0.00 102 R 8.15 4.02 0.00 1.88 1.98 0.00 3.21 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 103 K 7.42 4.16 0.00 1.79 1.86 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.68 7.81 104 V 7.77 4.22 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 0.74 0.00 0.00 0.89 0.00 0.00 105 A 8.41 4.27 1.16 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.