NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.3557 8.1233 123.5821 51.7138 19.1225 177.3759 5 L 3.7856 8.4644 123.5852 58.0451 41.5956 177.7305 6 L 4.2785 8.7715 119.7794 58.1080 41.9680 179.5326 7 R 3.9659 7.8957 117.1491 59.3091 30.1399 178.8056 8 Q 3.9752 8.3241 117.8492 58.9167 28.6292 179.0379 9 A 3.6279 8.9362 122.4802 55.1817 18.4320 178.7159 10 Y 4.1188 8.0971 118.3412 61.1448 38.6495 178.2860 11 S 4.0843 8.5090 112.8538 61.1883 62.5195 175.4212 12 A 4.2861 7.7353 121.7603 53.8148 19.1807 177.9751 13 L 4.3593 8.1061 116.0756 56.7394 42.9801 178.4026 14 F 4.8782 7.3662 117.2631 60.2556 39.1477 176.9027 15 R 3.5277 7.3175 121.1253 58.9347 30.2177 176.8058 16 R 4.0530 7.6623 121.9464 56.1447 29.7045 177.7404 17 T 3.8767 8.5901 121.4132 65.8213 68.6916 175.3849 18 S 4.5344 7.8947 116.0364 60.7657 63.9976 176.2966 19 T 3.9712 8.1805 113.5048 63.9809 68.5610 176.4823 20 F 4.1406 8.3494 123.2349 61.2007 39.4201 176.6806 21 A 4.0855 8.2213 119.7790 55.3851 18.2242 179.3104 22 L 3.9491 7.7285 117.5471 58.2815 41.5411 180.1375 23 T 3.8224 7.9282 115.6457 66.5591 68.4459 176.8607 24 V 3.4104 7.5026 120.1644 66.0123 31.5017 178.1544 25 V 3.5135 7.9372 117.8900 65.8956 31.3579 177.4441 26 L 4.0524 8.3174 120.4826 58.2767 41.8107 179.4557 27 G 3.5211 8.7626 105.5210 47.8890 0.0000 175.2634 28 A 4.0637 8.3133 124.5173 54.8747 18.1329 179.8454 29 V 3.5642 7.9239 116.2828 66.1671 31.7893 178.2480 30 L 3.9645 7.7176 118.4637 57.8392 41.5622 178.9740 31 F 4.0483 8.8379 120.9198 62.3010 39.1732 175.9476 32 E 3.9505 8.9992 118.8293 58.3202 29.1309 178.5313 33 R 3.7962 8.1509 117.9044 59.3679 30.6094 178.5827 34 A 4.0934 7.8285 119.8523 54.8300 19.0505 179.2655 35 F 3.8852 8.1595 119.4312 61.2880 39.1636 177.0945 36 D 4.0821 8.4035 119.0104 57.2998 40.6450 178.2721 37 Q 4.0213 7.6021 117.0710 59.1456 28.8316 179.2167 38 G 3.7888 7.9631 106.0371 48.0494 0.0000 175.2171 39 A 3.7885 7.3675 123.3441 54.7335 18.3509 179.3720 40 D 4.3286 8.0885 117.1440 57.5081 40.9861 179.0555 41 A 4.0185 8.6948 121.6285 55.1885 18.3775 179.7950 42 I 3.6718 8.2132 118.7061 64.3412 36.9517 178.4670 43 F 4.2493 8.6763 120.6250 61.5211 39.6001 176.6391 44 E 3.9456 8.6519 118.6310 59.5696 29.0032 178.8780 45 H 4.0363 7.8722 116.8271 59.2879 30.1126 177.1379 46 L 4.1790 7.7780 118.6292 56.2943 41.4912 176.7669 47 N 4.9868 7.6863 116.2436 51.9817 39.2203 174.4038 48 E 4.0479 7.8820 118.4660 57.6062 30.5351 178.7291 49 G 4.0514 8.7002 109.1191 46.2345 0.0000 174.0880 50 K 4.3392 7.6524 118.3117 57.0524 33.6690 177.2096 51 L 4.3540 6.9102 115.5753 53.5131 42.4460 177.8141 52 W 4.2577 8.6939 130.2723 59.9448 31.0064 178.1587 53 K 3.8816 8.1411 118.7068 59.5864 31.8725 177.4355 54 H 4.4816 7.9271 115.3288 58.5502 29.3348 176.5161 55 I 3.5796 8.2875 119.5385 65.5286 37.4485 179.9519 56 K 3.4323 7.2208 120.8511 58.7665 32.9838 177.1287 57 H 4.1721 7.7226 112.5358 58.1789 28.3567 176.6167 58 K 3.8842 7.6918 119.2610 58.4850 31.8008 177.2267 59 Y 4.5596 7.4754 112.9773 57.5371 40.2764 175.5172 60 E 4.0632 8.2034 120.4269 56.6524 27.9300 175.7205 61 A 3.8002 8.4535 125.2839 52.7476 16.4774 177.9857 62 S 4.4380 7.6634 113.7782 60.1495 63.1095 174.3247 63 E 4.6150 7.8512 118.2919 55.2268 31.7727 175.5741 64 E 4.1230 8.7972 120.7591 57.0282 29.4491 174.3585 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 A 8.12 4.36 1.30 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 0.00 0.00 0.00 5 L 8.46 3.79 0.00 1.79 1.72 0.93 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.77 4.28 0.00 1.70 1.77 0.95 1.04 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 7 R 7.90 3.97 0.00 1.86 1.99 0.00 3.12 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 8 Q 8.32 3.98 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.63 0.00 9 A 8.94 3.63 0.98 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 0.00 0.00 0.00 0.00 0.00 10 Y 8.10 4.12 0.00 3.20 3.18 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 11 S 8.51 4.08 0.00 4.21 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 12 A 7.74 4.29 1.27 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 0.00 0.00 13 L 8.11 4.36 0.00 0.97 1.61 0.71 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 14 F 7.37 4.88 0.00 2.98 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 15 R 7.32 3.53 0.00 1.34 1.70 0.00 3.27 0.00 0.00 3.17 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.44 0.00 16 R 7.66 4.05 0.00 1.91 1.89 0.00 3.20 0.00 0.00 3.33 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 17 T 8.59 3.88 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 1.12 0.00 0.00 18 S 7.89 4.53 0.00 4.06 4.12 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 0.00 0.00 0.00 0.00 19 T 8.18 3.97 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 1.22 0.00 0.00 20 F 8.35 4.14 0.00 3.14 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 21 A 8.22 4.09 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 22 L 7.73 3.95 0.00 1.79 1.75 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 23 T 7.93 3.82 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 1.21 0.00 0.00 24 V 7.50 3.41 2.19 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 0.87 0.00 0.00 0.71 0.00 0.00 25 V 7.94 3.51 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 0.95 0.00 0.00 0.99 0.00 0.00 26 L 8.32 4.05 0.00 1.90 1.66 0.93 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.76 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.31 4.06 1.41 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 0.00 0.00 29 V 7.92 3.56 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 1.05 0.00 0.00 0.99 0.00 0.00 30 L 7.72 3.96 0.00 1.86 1.74 0.95 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.84 4.05 0.00 3.13 3.33 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 0.00 32 E 9.00 3.95 0.00 2.32 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 2.57 2.42 0.00 33 R 8.15 3.80 0.00 1.88 1.93 0.00 3.13 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 34 A 7.83 4.09 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.16 3.89 0.00 1.98 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.40 4.08 0.00 2.66 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.60 4.02 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 38 G 7.96 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 0.00 0.00 0.00 39 A 7.37 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.09 4.33 0.00 2.82 2.76 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 41 A 8.69 4.02 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 42 I 8.21 3.67 2.02 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.79 0.94 0.00 0.00 43 F 8.68 4.25 0.00 2.94 3.25 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 44 E 8.65 3.95 0.00 2.05 2.03 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 2.41 2.71 0.00 45 H 7.87 4.04 0.00 3.24 3.55 0.00 5.76 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.78 4.18 0.00 1.75 1.69 1.03 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 47 N 7.69 4.99 0.00 2.31 2.50 0.00 0.00 6.85 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 E 7.88 4.05 0.00 1.91 1.79 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 2.48 2.12 0.00 49 G 8.70 4.05 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 0.00 0.00 0.00 50 K 7.65 4.34 0.00 1.67 1.84 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.56 7.81 51 L 6.91 4.35 0.00 1.33 1.52 0.85 0.69 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 52 W 8.69 4.26 0.00 3.36 3.08 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 0.00 0.00 0.00 0.00 53 K 8.14 3.88 0.00 1.79 1.80 0.00 1.87 0.00 0.00 1.93 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.51 7.81 54 H 7.93 4.48 0.00 3.23 3.25 0.00 5.75 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.29 3.58 1.66 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 1.49 0.97 1.03 0.00 0.00 56 K 7.22 3.43 0.00 1.25 1.46 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.26 1.25 7.81 57 H 7.72 4.17 0.00 3.16 3.38 0.00 5.78 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 58 K 7.69 3.88 0.00 0.79 0.97 0.00 1.50 0.00 0.00 1.48 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.29 1.20 7.81 59 Y 7.48 4.56 0.00 3.00 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 60 E 8.20 4.06 0.00 2.28 1.88 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 2.35 2.36 0.00 61 A 8.45 3.80 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 62 S 7.66 4.44 0.00 4.07 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 63 E 7.85 4.61 0.00 2.01 1.84 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 2.18 2.27 0.00 64 E 8.80 4.12 0.00 2.15 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 2.22 2.31 0.00