NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3077 8.3231 115.4125 58.7001 64.6869 172.3231 2 G 3.6942 8.4668 110.6652 46.4071 0.0000 174.4862 3 I 3.6527 8.6163 121.4961 64.1333 39.0700 176.1662 4 V 3.7451 7.6992 118.4111 66.0333 31.3736 177.9598 5 Q 4.0714 7.9613 117.3043 58.6958 28.6313 178.3413 6 Q 4.0789 8.2797 119.7836 58.9949 28.5307 178.2810 7 Q 4.1969 7.8482 117.3139 57.7478 28.8949 177.2817 8 N 4.4761 8.3543 120.2797 56.3193 39.0942 175.9061 9 N 4.5419 7.9039 117.8910 54.6988 37.7527 176.8140 10 L 3.9348 7.3720 123.1881 58.2040 42.2247 178.4229 11 L 3.9842 7.6529 120.1630 58.0611 42.0237 178.9597 12 R 3.9017 7.9724 117.7937 59.2938 30.1386 178.8632 13 A 4.0092 8.0959 120.4217 55.3110 18.4433 179.7961 14 I 3.7819 7.6084 117.8183 64.3544 37.3358 178.5180 15 E 3.9512 8.6912 119.8904 59.1844 29.3141 179.2095 16 A 4.1488 8.0473 121.0299 55.1612 18.4973 179.7397 17 Q 4.0153 8.0807 116.3166 58.7926 28.6127 178.6324 18 Q 3.9808 7.9121 120.4901 59.4857 28.9972 178.0775 19 H 4.2700 7.7463 116.0401 58.8729 28.9155 177.6364 20 L 3.9827 7.9672 121.7367 57.5596 41.7521 178.8794 21 L 4.0117 7.9327 120.7209 58.2841 42.0477 178.8430 22 Q 4.0205 8.4708 118.3796 58.9622 28.6039 178.7803 23 L 4.1097 8.3570 120.4332 57.8932 41.7112 179.7768 24 T 3.9593 7.8365 115.4162 66.6250 68.5079 176.9794 25 V 3.7748 8.5981 120.6314 65.9361 31.0407 177.7583 26 W 4.2939 8.8175 128.5501 60.5622 30.2852 178.1836 27 G 3.7115 8.1517 104.8159 47.6169 0.0000 175.5074 28 I 3.8990 7.7094 121.9013 64.0597 37.1996 178.0322 29 K 3.7388 8.0259 119.2692 59.9229 31.9222 178.9995 30 Q 3.8453 7.3453 116.6949 59.1841 27.7489 179.3519 31 L 3.9957 7.5088 118.2450 56.8589 41.6933 178.7262 32 Q 3.9804 8.1292 117.6484 56.9967 28.8349 177.5648 33 A 4.0849 7.4832 120.7822 54.4071 18.8213 179.3527 34 R 3.9180 7.5439 115.9875 59.5300 30.2633 178.7421 35 S 4.2502 6.9416 113.9281 62.3321 64.2914 175.0520 36 G 4.1119 6.8742 107.3790 46.4661 0.0000 175.6074 37 G 3.9454 7.3564 107.0702 43.8825 0.0000 172.6736 38 R 4.2193 7.9136 132.0338 55.7889 29.7862 174.6185 39 G 3.7641 9.1983 104.0569 45.5933 0.0000 173.5694 40 G 4.0613 8.8100 107.2342 45.9425 0.0000 173.8544 41 W 4.5686 7.8448 126.2391 56.6006 35.0323 175.4727 42 M 4.4865 8.2895 117.7817 58.2945 30.8854 176.9742 43 E 4.4327 8.1784 117.3277 56.7729 29.9792 177.4315 44 W 4.5623 8.5662 129.6899 59.8960 30.8768 177.7028 45 D 4.2765 8.4059 118.6263 56.9887 40.2046 178.3916 46 R 3.8614 7.7151 118.4108 59.1109 30.0507 178.4494 47 E 3.9792 7.5110 119.2232 59.0489 29.6222 179.0216 48 I 3.7599 7.1732 113.1248 63.8599 37.5851 178.1148 49 N 4.2731 8.2980 118.5251 56.3148 38.2794 177.1538 50 N 4.3380 7.8682 117.4254 55.8665 38.5700 176.7374 51 Y 4.2648 7.6175 117.3795 60.2733 38.1614 178.0064 52 T 3.8975 8.1264 117.2753 66.5471 68.5164 177.0663 53 S 4.0784 7.9983 117.1831 61.4179 62.8827 176.4268 54 L 3.9803 7.6904 123.0701 58.1114 41.7923 179.2199 55 I 3.7825 7.9418 119.7980 64.7941 36.9641 178.1857 56 H 4.3075 8.5944 117.3138 58.6999 28.5254 177.8631 57 S 4.1542 8.1963 115.3275 61.2070 62.3474 176.1496 58 L 4.0605 7.7642 121.3406 57.7823 41.3307 179.5578 59 I 3.7984 7.9116 119.9474 64.0709 36.9616 178.3065 60 E 3.9429 7.8390 119.5643 59.4280 29.2472 178.7464 61 E 3.9211 7.9737 118.2540 60.0063 29.7157 179.7093 62 S 4.1154 7.9839 114.3333 61.9959 62.6983 177.0572 63 Q 4.0482 7.9051 119.5702 58.7520 28.5659 177.9891 64 N 4.5544 8.2264 117.5723 55.9495 38.8542 177.3227 65 Q 4.1750 8.4087 119.0604 57.9427 28.5960 177.2684 66 Q 4.2789 7.6356 117.8095 56.1596 28.8359 176.1313 67 E 4.4338 7.4818 121.1237 57.0459 30.9607 176.1276 68 K 4.0137 7.7707 124.1295 57.0092 32.9122 174.3263 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 1 S 8.32 4.31 0.00 3.99 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 2 G 8.47 3.69 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 0.00 0.00 0.00 3 I 8.62 3.65 1.87 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 1.52 0.57 0.91 0.00 0.00 4 V 7.70 3.75 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 1.07 0.00 0.00 0.96 0.00 0.00 5 Q 7.96 4.07 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 6 Q 8.28 4.08 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.86 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 7 Q 7.85 4.20 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 8 N 8.35 4.48 0.00 2.80 2.71 0.00 0.00 6.82 7.57 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 9 N 7.90 4.54 0.00 3.03 3.06 0.00 0.00 5.67 6.67 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 10 L 7.37 3.93 0.00 2.01 1.69 0.92 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.65 3.98 0.00 1.78 1.78 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 12 R 7.97 3.90 0.00 2.08 1.96 0.00 3.18 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 13 A 8.10 4.01 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 14 I 7.61 3.78 1.98 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 1.52 0.89 0.91 0.00 0.00 15 E 8.69 3.95 0.00 2.09 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 2.29 2.52 0.00 16 A 8.05 4.15 1.39 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 0.00 0.00 0.00 17 Q 8.08 4.02 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.63 0.00 18 Q 7.91 3.98 0.00 2.33 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 19 H 7.75 4.27 0.00 3.51 3.29 0.00 5.69 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.97 3.98 0.00 1.93 1.69 0.94 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.93 4.01 0.00 2.15 1.74 0.95 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.47 4.02 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 23 L 8.36 4.11 0.00 1.97 1.78 0.83 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 24 T 7.84 3.96 4.56 0.00 0.00 0.00 0.00 0.00 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 25 V 8.60 3.77 2.32 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 1.11 0.00 0.00 0.98 0.00 0.00 26 W 8.82 4.29 0.00 3.66 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 27 G 8.15 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.71 3.90 2.25 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.83 0.00 0.00 29 K 8.03 3.74 0.00 1.82 1.59 0.00 1.87 0.00 0.00 2.01 0.00 0.00 3.21 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.48 1.54 7.81 30 Q 7.35 3.85 0.00 1.80 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.82 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 31 L 7.51 4.00 0.00 1.78 1.56 0.91 0.83 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 32 Q 8.13 3.98 0.00 1.78 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 1.32 1.95 0.00 33 A 7.48 4.08 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 34 R 7.54 3.92 0.00 1.71 1.93 0.00 3.10 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.85 0.00 35 S 6.94 4.25 0.00 3.90 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 36 G 6.87 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 37 G 7.36 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 0.00 0.00 0.00 38 R 7.91 4.22 0.00 1.83 1.95 0.00 3.20 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 39 G 9.20 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.81 4.06 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 0.00 0.00 0.00 41 W 7.84 4.57 0.00 3.56 3.01 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 42 M 8.29 4.49 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.77 0.00 43 E 8.18 4.43 0.00 2.09 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 2.37 2.43 0.00 44 W 8.57 4.56 0.00 3.18 3.66 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 0.00 0.00 0.00 0.00 45 D 8.41 4.28 0.00 3.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 R 7.72 3.86 0.00 2.07 2.14 0.00 3.06 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 47 E 7.51 3.98 0.00 2.20 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 2.31 2.55 0.00 48 I 7.17 3.76 1.66 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.57 0.19 0.00 0.00 49 N 8.30 4.27 0.00 2.76 2.87 0.00 0.00 6.96 7.50 0.00 0.00 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 N 7.87 4.34 0.00 2.42 2.61 0.00 0.00 7.04 7.28 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 51 Y 7.62 4.26 0.00 3.08 2.90 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 52 T 8.13 3.90 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 1.01 0.00 0.00 53 S 8.00 4.08 0.00 3.84 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 54 L 7.69 3.98 0.00 1.69 1.81 0.95 1.22 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 55 I 7.94 3.78 2.07 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 1.56 0.75 0.96 0.00 0.00 56 H 8.59 4.31 0.00 3.19 3.33 0.00 5.63 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.20 4.15 0.00 3.91 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 58 L 7.76 4.06 0.00 1.93 1.71 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.91 3.80 2.01 0.00 0.00 0.85 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 1.03 0.92 0.00 0.00 60 E 7.84 3.94 0.00 2.21 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 2.48 2.50 0.00 61 E 7.97 3.92 0.00 2.33 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 0.00 2.34 2.54 0.00 62 S 7.98 4.12 0.00 4.01 3.92 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 0.00 0.00 0.00 0.00 63 Q 7.91 4.05 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.97 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 64 N 8.23 4.55 0.00 2.95 2.85 0.00 0.00 6.96 7.40 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 65 Q 8.41 4.17 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.00 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 66 Q 7.64 4.28 0.00 2.34 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 67 E 7.48 4.43 0.00 2.20 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 2.26 2.41 0.00 68 K 7.77 4.01 0.00 1.66 1.59 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.28 1.34 7.81