NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2312 8.3149 120.1346 55.3501 33.1728 175.2068 2 P 4.1532 0.0000 0.0000 61.9421 31.3437 171.4070 3 V 3.9759 8.0658 117.8363 61.1661 33.1397 176.1275 4 S 4.4061 7.9564 114.6871 56.3533 63.9762 172.6734 5 L 3.7294 7.6088 124.0971 55.4265 41.3300 175.6385 6 S 4.6624 7.4068 114.5431 57.1411 64.8840 173.8700 7 Y 4.0204 8.5265 121.6806 59.0657 38.6517 175.5497 8 R 3.9461 8.0127 117.4534 55.8595 28.6646 176.5210 9 C 5.0681 7.8727 115.8747 54.7445 44.2647 172.5101 10 P 4.4775 0.0000 0.0000 65.6304 31.1566 177.3309 11 C 4.6496 8.4163 115.4933 55.9490 40.9751 173.5114 12 R 3.8199 8.4681 123.8258 57.7090 30.5571 176.6783 13 F 4.5627 7.4911 114.4357 55.6468 40.9363 175.2001 14 F 5.4592 8.1760 121.1630 55.7949 41.8552 175.7572 15 E 4.0708 9.4880 125.2082 59.4538 29.5807 178.5214 16 S 4.2375 8.4147 115.8762 59.6124 62.7886 171.0161 17 H 4.5375 7.9438 118.9908 55.5635 28.4601 175.1329 18 V 4.3497 7.5357 118.3593 61.1259 34.4850 174.2070 19 A 4.1894 8.1290 129.4560 49.9937 21.2526 177.3056 20 R 2.5146 6.9328 119.6838 58.9382 30.0129 178.5515 21 A 4.0133 7.4401 118.1705 53.7103 18.8485 177.0271 22 N 4.6264 7.9435 113.8663 52.9547 39.1669 173.7087 23 V 4.6580 7.2045 116.9413 61.6286 32.5164 175.2869 24 K 4.2921 9.5584 130.4618 58.8300 33.1553 176.4916 25 H 4.9593 8.0048 118.5110 54.6026 33.5507 172.0896 26 L 5.3023 8.4557 124.5255 52.8288 44.4826 175.6899 27 K 4.6684 9.4731 125.0072 54.5888 35.8156 174.6816 28 I 4.7504 8.5435 127.3576 59.7252 39.2549 174.7367 29 L 4.6905 9.0440 128.6654 53.2177 43.6834 175.5854 30 N 4.8358 8.8383 121.4667 51.8093 38.7824 174.5393 31 T 4.4520 8.1267 121.8302 61.1485 69.5186 174.1281 32 P 4.2685 0.0000 0.0000 65.3732 31.5662 177.4679 33 N 4.7181 8.0663 112.7206 53.8365 38.1139 175.8322 34 C 4.7252 7.4596 114.2614 55.3648 43.9571 176.8172 35 A 4.1394 7.1027 121.5343 52.7249 23.0559 175.0856 36 L 4.6641 8.3749 116.0422 54.5667 43.2373 176.7943 37 Q 4.5625 8.6630 118.1423 55.0961 32.3465 173.3058 38 I 4.9737 8.2624 122.2309 59.5542 40.8191 174.4516 39 V 5.0357 9.3139 126.2388 61.1761 33.9563 174.2780 40 A 5.9160 9.3333 128.5826 49.2637 22.7481 174.3945 41 R 4.9931 8.5054 121.0816 54.5951 32.5677 175.3427 42 L 4.5791 9.0793 126.8044 54.8355 42.4449 178.2941 43 K 3.9369 9.1090 123.4086 59.5496 32.1305 178.3223 44 N 4.4646 8.2290 117.8288 56.1608 39.3255 175.7155 45 N 4.4639 8.1103 114.5148 53.5668 39.2242 176.0673 46 N 4.8819 8.3873 112.1415 53.1429 36.4555 173.5841 47 R 4.7064 7.2419 114.6041 54.6163 32.4439 175.1644 48 Q 4.8416 8.5404 119.7102 55.5595 29.7950 175.6880 49 V 4.6281 9.3317 117.8811 59.7078 35.6616 173.9593 50 C 5.2577 8.8112 120.5349 56.2788 36.5072 172.6740 51 I 4.7706 9.3051 125.6334 59.6086 39.5356 174.5499 52 D 3.4547 8.1763 125.3991 52.3935 41.6903 175.2565 53 P 4.2476 0.0000 0.0000 64.2901 31.3688 177.0309 54 K 4.1214 7.5953 117.6127 57.4397 32.6402 177.8855 55 L 3.9638 7.4778 120.7751 54.5370 42.8811 177.7961 56 K 3.9067 8.6647 124.5735 59.3971 32.3021 179.0967 57 W 4.3248 8.1820 116.2210 59.2973 28.1093 178.2744 58 I 3.2256 6.7185 120.6999 64.0464 36.5357 177.9827 59 Q 3.9819 8.0097 119.0454 58.8905 28.5005 178.7527 60 E 3.9569 8.3503 119.5738 59.6521 29.5819 178.6326 61 Y 4.2555 8.2512 119.8671 60.7348 38.7603 178.2870 62 L 3.6381 8.2998 120.2953 57.7752 41.7804 179.4454 63 E 4.1195 8.0944 117.3338 59.0234 29.3840 179.4112 64 K 3.9981 8.0037 119.4053 59.3585 32.1056 179.2106 65 A 3.8938 7.9898 119.8217 54.9612 18.3267 179.2757 66 L 4.0558 8.0398 116.7962 56.9692 41.8717 178.3378 67 N 4.5246 7.5829 114.6240 54.8140 39.3589 174.8615 68 K 4.1660 7.9291 123.2985 56.3932 32.3934 175.9513 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 K 8.31 4.23 0.00 1.76 1.84 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.47 7.81 2 P 0.00 4.15 0.00 2.12 2.03 0.00 3.68 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 2.05 2.18 0.00 3 V 8.07 3.98 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 0.72 0.00 0.00 0.92 0.00 0.00 4 S 7.96 4.41 0.00 3.82 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 L 7.61 3.73 0.00 1.79 1.74 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 6 S 7.41 4.66 0.00 3.91 3.85 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 7 Y 8.53 4.02 0.00 2.89 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 8 R 8.01 3.95 0.00 1.88 1.79 0.00 3.29 0.00 0.00 3.13 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.77 0.00 9 C 7.87 5.07 0.00 2.80 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 10 P 0.00 4.48 0.00 2.25 2.28 0.00 3.92 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 2.13 2.32 0.00 11 C 8.42 4.65 0.00 3.19 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 12 R 8.47 3.82 0.00 1.27 1.03 0.00 3.21 0.00 0.00 3.07 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.35 0.00 13 F 7.49 4.56 0.00 2.94 2.86 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 14 F 8.18 5.46 0.00 3.07 2.92 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 15 E 9.49 4.07 0.00 2.04 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 0.00 2.44 2.47 0.00 16 S 8.41 4.24 0.00 4.10 4.10 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.94 4.54 0.00 3.23 3.28 0.00 5.72 0.00 0.00 0.00 0.00 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.54 4.35 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.05 0.00 0.00 19 A 8.13 4.19 1.03 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 0.00 0.00 20 R 6.93 2.51 0.00 0.83 1.42 0.00 2.90 0.00 0.00 3.41 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.46 0.00 21 A 7.44 4.01 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 22 N 7.94 4.63 0.00 2.73 2.83 0.00 0.00 6.57 7.27 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 23 V 7.20 4.66 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 0.83 0.00 0.00 1.04 0.00 0.00 24 K 9.56 4.29 0.00 1.70 1.90 0.00 1.74 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.45 7.81 25 H 8.00 4.96 0.00 3.27 3.05 0.00 5.86 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.46 5.30 0.00 1.51 1.46 0.41 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 27 K 9.47 4.67 0.00 1.88 1.69 0.00 1.52 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.49 7.81 28 I 8.54 4.75 1.90 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 1.59 0.92 0.93 0.00 0.00 29 L 9.04 4.69 0.00 1.73 1.63 1.00 0.30 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 30 N 8.84 4.84 0.00 2.69 2.84 0.00 0.00 6.08 7.72 0.00 0.00 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 T 8.13 4.45 4.44 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 1.33 0.00 0.00 32 P 0.00 4.27 0.00 2.05 2.12 0.00 3.69 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 2.04 2.12 0.00 33 N 8.07 4.72 0.00 2.89 2.86 0.00 0.00 6.68 7.68 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 34 C 7.46 4.73 0.00 2.94 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 35 A 7.10 4.14 1.29 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 0.00 0.00 0.00 36 L 8.37 4.66 0.00 1.51 1.57 0.96 0.78 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 37 Q 8.66 4.56 0.00 2.40 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.82 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 38 I 8.26 4.97 1.76 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.86 0.94 0.00 0.00 39 V 9.31 5.04 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 1.09 0.00 0.00 1.01 0.00 0.00 40 A 9.33 5.92 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.51 4.99 0.00 1.89 1.82 0.00 3.13 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 42 L 9.08 4.58 0.00 1.62 1.57 0.95 1.05 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 43 K 9.11 3.94 0.00 1.57 1.85 0.00 1.81 0.00 0.00 1.78 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.48 7.81 44 N 8.23 4.46 0.00 2.62 2.82 0.00 0.00 7.25 7.66 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 45 N 8.11 4.46 0.00 2.88 2.84 0.00 0.00 7.14 6.92 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 46 N 8.39 4.88 0.00 2.88 2.92 0.00 0.00 7.25 7.69 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 47 R 7.24 4.71 0.00 2.02 2.04 0.00 2.77 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 48 Q 8.54 4.84 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.65 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 49 V 9.33 4.63 2.18 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 0.84 0.00 0.00 1.05 0.00 0.00 50 C 8.81 5.26 0.00 3.35 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.31 4.77 1.87 0.00 0.00 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 1.21 1.56 0.64 0.00 0.00 52 D 8.18 3.45 0.00 2.56 2.36 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.25 0.00 2.09 2.00 0.00 3.24 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.00 0.00 54 K 7.60 4.12 0.00 1.96 1.85 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.33 7.81 55 L 7.48 3.96 0.00 1.20 1.21 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.66 3.91 0.00 1.84 1.88 0.00 1.75 0.00 0.00 1.92 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.52 7.81 57 W 8.18 4.32 0.00 3.64 3.31 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 58 I 6.72 3.23 1.50 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.03 0.68 0.00 0.00 59 Q 8.01 3.98 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.59 0.00 60 E 8.35 3.96 0.00 2.35 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 0.00 2.68 2.56 0.00 61 Y 8.25 4.26 0.00 3.17 3.02 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 62 L 8.30 3.64 0.00 1.77 1.59 0.84 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.09 4.12 0.00 2.18 2.18 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 2.59 2.40 0.00 64 K 8.00 4.00 0.00 1.93 1.89 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.77 1.65 7.81 65 A 7.99 3.89 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 66 L 8.04 4.06 0.00 1.63 1.66 0.85 0.81 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 67 N 7.58 4.52 0.00 2.70 3.02 0.00 0.00 7.10 6.55 0.00 0.00 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 K 7.93 4.17 0.00 1.93 1.67 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.49 7.81