NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.6580 7.7374 119.5303 56.8218 32.4987 174.6117 4 G 3.6363 7.6649 110.6946 46.8002 0.0000 170.9645 5 H 5.0496 7.6564 114.6465 54.0894 31.5317 174.2889 6 S 4.1909 8.3618 118.1650 60.7999 62.2750 174.9997 7 L 4.2684 7.6334 121.8428 56.7154 43.0627 177.5258 8 Q 3.8530 7.9430 118.8503 59.4145 28.8159 178.0899 9 D 4.3717 7.9214 119.2211 57.1586 40.9540 177.1732 10 P 4.2934 0.0000 0.0000 65.4987 31.3207 178.1387 11 Y 3.9341 8.0468 118.4467 60.8133 38.8018 178.0024 12 L 3.7918 8.1494 120.2407 57.7167 41.4832 179.1227 13 N 4.5795 8.5060 117.2035 56.9115 38.8854 177.2052 14 T 3.8541 7.9029 117.3608 66.5881 68.6512 176.7491 15 L 3.8984 7.6601 120.9028 57.5781 41.5090 179.5434 16 R 4.1309 7.9906 120.1137 59.0334 29.9535 178.7486 17 K 3.9620 8.2349 117.5840 59.3527 32.1734 177.9746 18 E 4.2577 8.2306 115.4121 55.8077 29.6941 176.2347 19 R 3.7480 7.6433 117.0697 56.8181 28.4336 176.6304 20 V 3.7725 7.4597 116.7881 62.2001 32.2519 174.1291 21 P 4.6428 0.0000 0.0000 63.0531 32.6050 175.6812 22 V 4.9723 9.2030 115.8142 59.9920 36.9403 174.1447 23 S 5.1309 8.9515 117.7679 56.8368 66.1613 173.3167 24 I 4.8951 8.6859 125.4579 59.8022 39.7133 174.0796 25 Y 4.8440 9.0309 125.7484 56.8403 39.5683 175.5795 26 L 4.9194 9.1425 124.4345 53.5140 43.4535 178.4436 27 V 3.6350 8.9270 114.9516 64.3480 31.5288 177.3770 28 N 4.5737 8.0666 114.6329 52.9028 37.6791 175.6049 29 G 4.1263 8.1916 107.9358 45.3617 0.0000 174.4433 30 I 3.8495 8.0533 121.4086 61.3508 38.3682 175.0432 31 K 4.4832 8.5340 127.2895 54.7238 33.6819 175.0632 32 L 4.7206 8.8608 128.1101 53.5090 44.0613 175.8347 33 Q 4.8594 9.3362 119.3643 53.0684 32.7306 176.6087 34 G 4.1075 7.4033 109.5030 45.8758 0.0000 171.8513 35 Q 4.7840 8.4749 121.5307 54.2790 32.2752 174.7901 36 I 4.2818 8.3217 122.1636 61.7828 37.5365 176.4619 37 E 4.2276 9.4063 128.7572 58.9537 30.3878 176.6558 38 S 4.6934 7.6146 111.8110 58.5503 65.9755 174.5733 39 F 5.0319 7.7570 113.0543 56.5619 39.2546 172.7773 40 D 4.6876 8.5333 119.8524 52.2150 41.7683 175.4621 41 Q 4.0769 8.7971 118.3297 58.7770 29.2171 177.8137 42 F 5.0103 7.9886 115.3138 57.2217 41.5139 174.8908 43 V 5.0135 8.7581 112.9195 59.4684 36.4738 174.6134 44 I 5.0314 8.6348 121.8958 59.6158 41.1256 174.6202 45 L 4.7973 9.1576 130.0622 54.0496 43.1859 174.7033 46 L 5.0617 9.0068 130.0063 53.2712 44.2929 174.6902 47 K 5.0478 8.9897 128.4741 53.7941 34.1207 173.0561 48 N 4.6637 8.7855 128.3423 52.2267 41.4798 176.6937 49 T 3.9762 8.8405 112.1130 66.2701 68.5893 173.7204 50 V 4.3781 7.3150 111.9822 59.8938 35.7863 173.6144 51 S 4.9236 8.4793 116.5823 57.3455 62.4368 172.9214 52 Q 4.7320 8.8942 125.9544 54.5513 31.6816 174.0727 53 M 4.7930 8.4609 120.4569 54.2447 33.6224 174.9830 54 V 4.4233 8.7483 126.7311 61.1920 34.3059 174.3684 55 Y 4.4067 8.5703 125.6279 57.2864 38.7165 176.7418 56 K 4.0538 9.3259 125.3869 59.6959 32.3843 178.9962 57 H 4.1950 8.3435 112.8572 57.8217 28.6364 175.7002 58 A 4.5031 8.0028 122.0599 52.3045 19.3967 176.5089 59 I 4.6197 7.7784 118.1587 60.5059 38.3389 175.5007 60 S 4.7388 9.0954 120.9042 60.1621 63.9379 174.3637 61 T 4.7973 7.7653 109.8216 59.2789 72.6281 172.2116 62 V 4.7458 8.4334 121.9001 61.2815 34.1361 174.8095 63 V 4.4343 8.9781 129.0739 60.3739 32.4262 173.1078 64 P 4.8180 0.0000 0.0000 62.5676 31.9902 177.9220 65 S 4.4637 9.0687 118.2924 60.6934 63.4785 174.0795 66 R 4.6865 7.4070 115.6486 53.6536 32.3998 172.9124 67 P 4.4198 0.0000 0.0000 62.9697 31.8532 176.5512 68 V 4.4343 8.0324 113.6851 59.4832 35.1725 174.9202 69 R 4.5088 8.3669 123.1448 54.5412 31.2608 175.9541 70 L 4.3653 8.2986 125.1630 53.4397 42.7597 175.1277 71 P 4.4301 0.0000 0.0000 63.0275 31.2125 176.4825 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 3 K 7.74 4.66 0.00 1.76 1.86 0.00 1.75 0.00 0.00 2.35 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.41 7.81 4 G 7.66 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 5 H 7.66 5.05 0.00 3.13 3.40 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 6 S 8.36 4.19 0.00 4.05 4.16 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 7 L 7.63 4.27 0.00 1.73 1.61 0.89 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 7.94 3.85 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.68 0.00 0.00 0.00 0.00 0.00 2.20 2.32 0.00 9 D 7.92 4.37 0.00 2.96 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 10 P 0.00 4.29 0.00 2.21 2.14 0.00 3.76 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.19 0.00 11 Y 8.05 3.93 0.00 3.15 3.06 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 12 L 8.15 3.79 0.00 0.73 0.72 0.22 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.51 4.58 0.00 3.28 2.90 0.00 0.00 7.22 7.45 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 14 T 7.90 3.85 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 1.16 0.00 0.00 15 L 7.66 3.90 0.00 1.74 1.60 0.66 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.99 4.13 0.00 2.13 2.20 0.00 3.27 0.00 0.00 3.36 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 17 K 8.23 3.96 0.00 1.76 1.86 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.70 7.81 18 E 8.23 4.26 0.00 2.08 1.95 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 2.29 2.25 0.00 19 R 7.64 3.75 0.00 1.92 1.97 0.00 3.16 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 20 V 7.46 3.77 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 0.69 0.00 0.00 0.87 0.00 0.00 21 P 0.00 4.64 0.00 2.10 1.94 0.00 3.58 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 22 V 9.20 4.97 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 0.74 0.00 0.00 0.98 0.00 0.00 23 S 8.95 5.13 0.00 3.80 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 24 I 8.69 4.90 1.84 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 1.25 0.76 0.93 0.00 0.00 25 Y 9.03 4.84 0.00 2.97 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 26 L 9.14 4.92 0.00 1.75 1.71 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.93 3.63 2.11 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 0.77 0.00 0.00 1.01 0.00 0.00 28 N 8.07 4.57 0.00 2.83 2.95 0.00 0.00 6.30 7.00 0.00 0.00 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 G 8.19 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 8.05 3.85 1.99 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 1.12 0.72 0.89 0.00 0.00 31 K 8.53 4.48 0.00 1.45 1.53 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.93 0.21 7.81 32 L 8.86 4.72 0.00 1.52 1.50 0.91 0.66 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 33 Q 9.34 4.86 0.00 1.83 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.16 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 34 G 7.40 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 0.00 0.00 0.00 35 Q 8.47 4.78 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.94 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 36 I 8.32 4.28 1.89 0.00 0.00 0.80 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 1.06 1.06 0.00 0.00 37 E 9.41 4.23 0.00 1.93 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 2.33 2.26 0.00 38 S 7.61 4.69 0.00 3.70 3.88 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 0.00 0.00 0.00 39 F 7.76 5.03 0.00 3.20 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.53 4.69 0.00 2.85 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.80 4.08 0.00 1.79 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.90 0.00 0.00 0.00 0.00 0.00 1.32 2.12 0.00 42 F 7.99 5.01 0.00 3.40 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 43 V 8.76 5.01 1.92 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 0.27 0.00 0.00 0.94 0.00 0.00 44 I 8.63 5.03 1.88 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.70 0.94 0.00 0.00 45 L 9.16 4.80 0.00 1.73 1.67 0.94 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 46 L 9.01 5.06 0.00 1.75 1.49 0.93 0.38 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 47 K 8.99 5.05 0.00 2.08 1.63 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.52 7.81 48 N 8.79 4.66 0.00 2.83 2.35 0.00 0.00 7.03 7.87 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 49 T 8.84 3.98 4.23 0.00 0.00 0.00 0.00 0.00 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 50 V 7.31 4.38 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 0.69 0.00 0.00 0.93 0.00 0.00 51 S 8.48 4.92 0.00 3.92 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 8.89 4.73 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.57 0.00 0.00 0.00 0.00 0.00 2.39 2.26 0.00 53 M 8.46 4.79 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.14 0.00 54 V 8.75 4.42 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 1.03 0.00 0.00 0.93 0.00 0.00 55 Y 8.57 4.41 0.00 2.98 2.41 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 56 K 9.33 4.05 0.00 1.98 1.93 0.00 1.86 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.47 1.53 7.81 57 H 8.34 4.20 0.00 3.28 3.56 0.00 5.53 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 58 A 8.00 4.50 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 59 I 7.78 4.62 2.02 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 1.39 0.84 0.98 0.00 0.00 60 S 9.10 4.74 0.00 3.86 4.01 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 0.00 0.00 0.00 61 T 7.77 4.80 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 1.17 0.00 0.00 62 V 8.43 4.75 2.20 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 0.91 0.00 0.00 0.97 0.00 0.00 63 V 8.98 4.43 2.29 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 1.01 0.00 0.00 1.07 0.00 0.00 64 P 0.00 4.82 0.00 2.26 1.91 0.00 3.76 0.00 0.00 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.09 0.00 65 S 9.07 4.46 0.00 3.85 4.09 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 66 R 7.41 4.69 0.00 2.05 1.89 0.00 3.07 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 67 P 0.00 4.42 0.00 2.07 2.04 0.00 3.62 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 2.03 2.12 0.00 68 V 8.03 4.43 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 0.68 0.00 0.00 0.85 0.00 0.00 69 R 8.37 4.51 0.00 1.75 1.81 0.00 3.23 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 70 L 8.30 4.37 0.00 1.70 1.62 1.03 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.43 0.00 2.05 1.98 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00