NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5729 8.3049 118.1903 54.8632 32.8384 175.0767 2 K 4.1761 9.0661 120.9093 53.3177 33.3214 175.9463 3 P 4.4135 0.0000 0.0000 66.3874 31.8713 178.3128 4 E 4.0559 8.2233 117.7358 59.1730 29.4276 179.0004 5 E 3.9834 8.1381 118.7828 59.0574 29.4327 178.9308 6 L 4.0561 7.9680 119.9963 58.3070 42.2088 179.1303 7 V 3.6704 7.9142 118.1194 65.9933 31.2607 177.8428 8 R 3.8979 8.0749 117.6427 59.7835 30.0441 177.6599 9 H 4.2391 8.0807 115.8358 58.0172 29.9388 176.1277 10 F 4.4919 7.8045 117.4558 57.6323 39.2264 175.2507 11 G 4.2084 8.4252 107.8143 45.3886 0.0000 173.6257 12 D 5.0235 7.8167 117.6562 50.3860 44.0503 176.7399 13 V 3.4233 8.1010 117.5126 66.3898 31.4343 177.6517 14 E 3.9616 8.1158 117.7129 59.2408 29.3117 179.3131 15 K 3.9253 9.0608 118.7922 59.2617 32.1631 179.1992 16 A 3.0600 7.8949 120.4737 54.6715 18.3121 179.4871 17 A 3.7269 7.5856 118.7771 55.2801 18.2422 179.9417 18 V 3.5332 7.5862 116.8353 66.1733 31.3493 178.3531 19 G 3.0601 7.5826 104.4784 46.6995 0.0000 174.4255 20 V 4.3110 6.9894 110.6480 60.4076 32.4283 175.5945 21 G 3.8011 7.8261 107.3298 46.9942 0.0000 173.8848 22 V 4.5196 7.5094 111.4820 58.6979 35.2625 175.7579 23 T 4.1681 7.9174 110.3073 60.7067 69.7430 173.9529 24 P 4.2037 0.0000 0.0000 65.7310 31.2874 179.1242 25 G 3.6808 8.1285 103.9065 47.6884 0.0000 175.3112 26 A 3.5992 7.6326 122.7535 54.7982 18.2601 179.9136 27 V 2.6507 6.6632 116.1497 66.0533 31.5454 177.8433 28 Y 4.0150 7.7722 116.4455 60.9302 37.5567 178.3213 29 Q 4.0102 8.1138 120.5212 59.0598 29.2436 178.4582 30 W 4.6261 7.9198 121.2809 59.2747 28.8711 178.3103 31 L 4.0755 8.0329 117.9110 58.2820 41.2255 179.5294 32 Q 4.1918 8.1421 116.0150 58.5268 28.7475 178.0683 33 A 4.2695 8.3983 121.2892 52.7186 18.4783 178.4200 34 G 3.9244 8.7960 104.6936 45.5332 0.0000 172.9982 35 E 4.6894 7.5904 114.4616 55.3963 31.6970 174.1202 36 I 3.7415 7.8715 121.0473 58.6491 39.0000 174.8056 37 P 4.2527 0.0000 0.0000 61.9578 33.1452 175.7275 38 P 4.1460 0.0000 0.0000 66.2656 31.0605 178.8387 39 L 3.9249 7.7956 118.1165 57.3095 41.4577 179.2546 40 R 3.8064 7.7700 118.1980 59.4520 29.9860 178.1978 41 Q 3.8502 7.9818 117.9437 59.2656 28.7356 179.2494 42 S 4.0477 7.8812 115.8059 61.7358 62.7791 176.3976 43 D 4.3474 8.0442 120.6246 57.2612 40.9707 178.3009 44 I 3.7722 8.0426 120.6726 64.3071 37.0508 177.8650 45 E 4.5774 8.3795 121.6941 58.8708 29.4396 179.1779 46 V 3.8136 8.0076 118.1243 66.2434 31.4806 178.2900 47 R 4.0869 8.3687 116.9232 58.5049 30.1151 177.9782 48 T 4.3963 8.0936 108.5636 60.2620 69.1087 174.5093 49 A 3.1034 8.8202 122.6096 53.9141 16.5784 178.1659 50 Y 4.0555 8.5816 114.6722 59.6487 36.2624 171.3179 51 K 4.1307 7.9930 121.2960 58.4475 32.6702 177.3648 52 L 4.6993 7.7809 118.0643 52.6233 43.6080 175.3359 53 K 4.8209 8.2686 121.9132 54.1323 34.4595 177.0778 54 S 4.5292 9.2836 119.0321 58.3825 64.8384 175.2447 55 D 4.3253 9.1204 123.1905 57.5138 40.5422 178.8754 56 F 3.9490 8.3061 120.5177 61.9333 39.2551 177.2822 57 T 4.0118 8.2211 115.0434 66.7404 68.1451 176.9403 58 S 4.1056 8.3534 117.2995 61.5464 62.8224 176.7912 59 Q 4.0251 8.1558 120.7098 59.0201 28.2881 178.5692 60 R 3.7624 7.5096 118.1079 59.7553 30.1599 177.6395 61 M 4.3353 8.1920 115.2634 54.7129 32.2958 176.4217 62 G 3.8964 8.0175 107.1483 46.6398 0.0000 174.5219 63 K 4.6284 8.1207 114.1201 54.7822 32.8196 176.6774 64 E 4.1746 7.9562 121.6344 56.6385 29.5351 177.2454 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 M 8.30 4.57 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 2 K 9.07 4.18 0.00 1.82 1.97 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.59 7.81 3 P 0.00 4.41 0.00 2.37 2.54 0.00 3.74 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.32 0.00 4 E 8.22 4.06 0.00 2.11 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 2.43 2.50 0.00 5 E 8.14 3.98 0.00 2.25 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 2.34 2.33 0.00 6 L 7.97 4.06 0.00 1.89 2.02 1.27 1.22 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 7 V 7.91 3.67 2.23 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 0.95 0.00 0.00 0.91 0.00 0.00 8 R 8.07 3.90 0.00 1.95 2.12 0.00 3.33 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 9 H 8.08 4.24 0.00 3.18 3.42 0.00 5.99 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 10 F 7.80 4.49 0.00 3.07 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 11 G 8.43 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.82 5.02 0.00 2.88 2.79 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 13 V 8.10 3.42 1.91 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 0.28 0.00 0.00 0.70 0.00 0.00 14 E 8.12 3.96 0.00 2.10 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 0.00 2.42 2.46 0.00 15 K 9.06 3.93 0.00 2.05 1.95 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.48 1.62 7.81 16 A 7.89 3.06 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.59 3.73 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 18 V 7.59 3.53 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 0.95 0.00 0.00 0.88 0.00 0.00 19 G 7.58 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 0.00 0.00 0.00 20 V 6.99 4.31 2.17 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 0.83 0.00 0.00 1.06 0.00 0.00 21 G 7.83 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.51 4.52 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 0.94 0.00 0.00 0.76 0.00 0.00 23 T 7.92 4.17 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 1.17 0.00 0.00 24 P 0.00 4.20 0.00 2.24 2.49 0.00 3.57 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 2.11 2.12 0.00 25 G 8.13 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.63 3.60 0.83 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 0.00 0.00 27 V 6.66 2.65 1.78 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 0.93 0.00 0.00 0.53 0.00 0.00 28 Y 7.77 4.01 0.00 3.12 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 8.11 4.01 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 30 W 7.92 4.63 0.00 3.57 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 8.03 4.08 0.00 1.88 1.82 0.78 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.14 4.19 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.02 0.00 0.00 0.00 0.00 0.00 2.46 2.63 0.00 33 A 8.40 4.27 1.46 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 0.00 0.00 0.00 34 G 8.80 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 0.00 0.00 0.00 35 E 7.59 4.69 0.00 2.05 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 2.23 2.26 0.00 36 I 7.87 3.74 1.53 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 1.10 0.50 -0.17 0.00 0.00 37 P 0.00 4.25 0.00 2.01 1.92 0.00 2.62 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 38 P 0.00 4.15 0.00 2.21 2.29 0.00 3.64 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 2.04 0.00 39 L 7.80 3.92 0.00 1.67 1.72 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 40 R 7.77 3.81 0.00 1.81 1.75 0.00 3.52 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.34 0.00 41 Q 7.98 3.85 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.55 0.00 0.00 0.00 0.00 0.00 2.21 2.51 0.00 42 S 7.88 4.05 0.00 3.97 3.83 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 43 D 8.04 4.35 0.00 2.80 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 44 I 8.04 3.77 2.03 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.87 1.02 0.00 0.00 45 E 8.38 4.58 0.00 2.10 2.16 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 2.35 2.40 0.00 46 V 8.01 3.81 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 1.03 0.00 0.00 1.10 0.00 0.00 47 R 8.37 4.09 0.00 1.96 2.05 0.00 3.33 0.00 0.00 3.32 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.84 0.00 48 T 8.09 4.40 4.19 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 1.39 0.00 0.00 49 A 8.82 3.10 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 50 Y 8.58 4.06 0.00 3.11 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 51 K 7.99 4.13 0.00 1.68 1.83 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.48 1.53 7.81 52 L 7.78 4.70 0.00 1.69 1.52 0.88 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 53 K 8.27 4.82 0.00 1.71 1.69 0.00 1.73 0.00 0.00 1.88 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.32 7.81 54 S 9.28 4.53 0.00 4.00 4.02 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 55 D 9.12 4.33 0.00 2.71 2.77 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 0.00 56 F 8.31 3.95 0.00 3.13 2.96 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 57 T 8.22 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 1.19 0.00 0.00 58 S 8.35 4.11 0.00 3.98 4.02 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 59 Q 8.16 4.03 0.00 2.16 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.74 0.00 0.00 0.00 0.00 0.00 2.64 2.30 0.00 60 R 7.51 3.76 0.00 1.56 2.06 0.00 3.26 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 61 M 8.19 4.34 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.52 0.00 62 G 8.02 3.90 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 0.00 0.00 0.00 63 K 8.12 4.63 0.00 1.66 1.70 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.59 1.51 7.81 64 E 7.96 4.17 0.00 1.93 1.83 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 2.25 2.26 0.00