NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5639 8.1633 120.2767 55.3266 33.9388 173.9418 2 V 4.9401 8.2333 114.1607 58.0901 35.6577 173.2183 3 R 4.7020 9.3946 118.7380 55.1179 33.5965 173.2520 4 D 4.7863 8.4893 120.3639 53.7040 42.0527 175.5505 5 A 3.1749 6.6505 122.8757 50.7952 23.7528 174.7447 6 Y 4.7729 7.7129 116.8922 56.7265 38.7806 175.5473 7 I 4.1393 8.4561 125.2485 61.3032 38.6946 174.7138 8 A 5.2957 8.8048 129.7424 50.0123 22.2267 175.1368 9 K 4.5682 8.7064 117.9910 54.1372 35.7661 175.5522 10 N 4.0515 8.3988 116.4087 53.8470 38.6504 174.2855 11 Y 4.4591 8.6016 120.8448 56.9468 39.4572 175.3886 12 N 4.3226 8.8203 125.0210 55.2159 37.2913 174.0311 13 C 4.9896 7.8278 113.8892 54.7393 43.2253 175.2242 14 V 4.2456 7.9467 117.2225 61.4288 32.2088 174.7198 15 Y 4.6113 8.4516 118.4860 56.7061 39.2154 176.0180 16 E 5.3789 9.2025 124.0831 56.3861 30.7594 174.5606 17 C 4.7536 8.3722 113.8563 55.5023 43.8371 173.0623 18 F 5.0688 9.0747 120.0844 59.3229 40.6919 176.0496 19 R 4.5748 7.8152 118.8382 54.4429 32.8708 176.8527 20 D 4.5926 8.6765 122.5338 57.7271 40.8608 179.1388 21 A 4.1196 8.0550 120.6690 55.0659 18.4018 178.7449 22 Y 4.0671 8.1687 117.6811 61.3782 38.9090 179.1675 23 C 4.1920 8.1255 116.4326 59.7630 40.2414 175.5976 24 N 4.3617 8.6829 119.2281 56.6172 38.4923 176.7501 25 E 3.8676 8.3011 120.0829 59.2725 29.1245 178.9602 26 L 3.6519 7.5674 120.1133 58.3295 42.0702 178.4519 27 C 4.1884 8.3595 116.8597 60.2630 41.2979 176.3195 28 T 4.0176 8.0208 112.9677 64.2013 68.1140 176.5754 29 K 3.8914 8.0125 120.6342 58.7876 32.0233 177.8543 30 N 4.7927 7.4224 113.7039 52.7722 38.8345 176.0477 31 G 3.8640 8.0733 109.1171 44.9299 0.0000 174.2673 32 A 4.7366 8.0948 122.5459 51.1733 19.0690 178.9947 33 S 4.1693 8.6649 115.1745 61.3310 63.3849 174.1269 34 S 4.6016 7.8009 113.4918 58.3596 65.7280 174.5279 35 G 4.7003 8.6650 106.5132 46.1875 0.0000 171.2620 36 Y 5.0438 9.0080 117.2375 55.9815 42.1332 173.4236 37 C 4.8483 9.3054 121.2048 55.2196 41.9577 172.6484 38 Q 4.3339 8.5739 129.3901 55.7276 29.7274 174.6203 39 W 5.0628 8.9924 126.0721 55.6349 31.1727 175.7993 40 A 3.7522 8.7561 124.9799 53.3883 16.0431 177.2959 41 G 4.3098 7.8450 111.0100 44.6414 0.0000 174.6627 42 K 3.7039 8.8401 119.2518 59.0341 32.0819 177.9840 43 Y 4.6737 7.5406 114.8971 57.5167 39.6677 177.2996 44 G 3.8587 7.8250 111.2455 46.7070 0.0000 176.2759 45 N 5.5449 8.6883 125.6985 51.7989 39.5277 173.0384 46 A 5.3188 8.9781 125.0670 50.2002 23.4764 174.1382 47 C 5.0521 9.3583 117.9459 56.5830 42.9228 172.5959 48 W 4.7344 8.9362 134.0130 55.6654 32.8589 173.5446 49 C 5.1673 8.1556 124.5988 55.3653 43.6043 172.2585 50 Y 4.9031 8.8848 120.3099 56.7638 39.8202 175.8476 51 A 3.9667 8.9140 126.2769 52.9932 17.0273 177.0496 52 L 4.3754 7.9861 123.6724 53.9595 43.2607 174.4556 53 P 4.7816 0.0000 0.0000 62.8549 31.8150 176.4833 54 D 4.5722 8.5863 120.0752 54.1100 39.3412 176.8157 55 N 4.5203 7.9948 116.4091 53.7373 37.9660 174.6933 56 V 4.2163 7.3542 120.0551 60.4970 32.9970 173.6201 57 P 4.6194 0.0000 0.0000 62.8072 32.4343 175.1679 58 I 5.1069 8.0123 114.9748 58.6985 41.1996 174.6486 59 R 4.2759 8.7795 124.1800 56.4187 30.2396 176.1226 60 V 4.6377 8.8878 119.1334 58.3217 35.2504 173.7138 61 P 4.2936 0.0000 0.0000 63.4330 31.6361 176.1769 62 G 3.8574 8.3720 107.5214 43.8543 0.0000 172.9154 63 K 4.3572 8.1756 118.9785 55.4031 33.1995 177.1092 64 C 4.8652 8.4510 121.7604 55.5556 45.4412 173.7167 65 R 4.2710 9.0673 125.3820 56.4778 30.4495 175.1544 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 8.16 4.56 0.00 1.96 2.15 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 2 V 8.23 4.94 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 0.70 0.00 0.00 0.94 0.00 0.00 3 R 9.39 4.70 0.00 1.77 1.94 0.00 2.89 0.00 0.00 3.29 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.69 0.00 4 D 8.49 4.79 0.00 2.72 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 A 6.65 3.17 0.89 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 0.00 0.00 6 Y 7.71 4.77 0.00 2.97 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 7 I 8.46 4.14 1.74 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.72 0.77 0.00 0.00 8 A 8.80 5.30 1.19 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 0.00 0.00 0.00 9 K 8.71 4.57 0.00 1.63 1.59 0.00 0.94 0.00 0.00 0.61 0.00 0.00 2.58 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.81 1.01 7.81 10 N 8.40 4.05 0.00 2.23 1.54 0.00 0.00 6.71 7.46 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 11 Y 8.60 4.46 0.00 3.06 2.80 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 12 N 8.82 4.32 0.00 3.00 3.03 0.00 0.00 6.93 7.65 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 13 C 7.83 4.99 0.00 2.94 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 14 V 7.95 4.25 2.06 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 0.08 0.00 0.00 0.87 0.00 0.00 15 Y 8.45 4.61 0.00 2.99 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 16 E 9.20 5.38 0.00 1.89 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 2.48 2.17 0.00 17 C 8.37 4.75 0.00 3.18 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 18 F 9.07 5.07 0.00 2.89 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 19 R 7.82 4.57 0.00 2.05 1.90 0.00 3.29 0.00 0.00 3.50 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.95 0.00 20 D 8.68 4.59 0.00 2.71 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 8.05 4.12 1.38 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 0.00 0.00 22 Y 8.17 4.07 0.00 3.15 3.29 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 23 C 8.13 4.19 0.00 3.22 3.14 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 0.00 0.00 0.00 0.00 24 N 8.68 4.36 0.00 3.01 2.84 0.00 0.00 7.19 7.39 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 25 E 8.30 3.87 0.00 2.13 1.90 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 2.31 2.37 0.00 26 L 7.57 3.65 0.00 1.21 1.46 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 27 C 8.36 4.19 0.00 2.96 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.02 4.02 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 29 K 8.01 3.89 0.00 1.88 1.86 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.55 7.81 30 N 7.42 4.79 0.00 2.71 2.75 0.00 0.00 7.26 7.53 0.00 0.00 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 G 8.07 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 0.00 0.00 0.00 32 A 8.09 4.74 1.33 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 0.00 0.00 33 S 8.66 4.17 0.00 4.02 4.03 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 34 S 7.80 4.60 0.00 3.94 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 35 G 8.66 4.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.01 5.04 0.00 3.32 3.11 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 37 C 9.31 4.85 0.00 3.31 3.26 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 0.00 38 Q 8.57 4.33 0.00 1.85 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.57 0.00 0.00 0.00 0.00 0.00 2.48 2.42 0.00 39 W 8.99 5.06 0.00 3.22 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 40 A 8.76 3.75 1.44 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 0.00 0.00 41 G 7.85 4.31 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 0.00 42 K 8.84 3.70 0.00 1.64 1.70 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.30 1.10 7.81 43 Y 7.54 4.67 0.00 2.60 2.72 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 0.00 0.00 0.00 0.00 44 G 7.83 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 0.00 0.00 0.00 45 N 8.69 5.54 0.00 2.70 3.03 0.00 0.00 6.47 7.90 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 46 A 8.98 5.32 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.36 5.05 0.00 3.01 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.94 4.73 0.00 3.01 2.35 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.16 5.17 0.00 2.48 2.74 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 0.00 0.00 0.00 0.00 50 Y 8.88 4.90 0.00 2.95 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 51 A 8.91 3.97 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 52 L 7.99 4.38 0.00 1.54 1.52 0.87 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.78 0.00 2.38 1.94 0.00 3.73 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 54 D 8.59 4.57 0.00 2.77 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 55 N 7.99 4.52 0.00 2.84 2.96 0.00 0.00 5.98 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 56 V 7.35 4.22 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 0.94 0.00 0.00 57 P 0.00 4.62 0.00 2.12 1.97 0.00 3.59 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 58 I 8.01 5.11 1.89 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 1.21 0.66 0.82 0.00 0.00 59 R 8.78 4.28 0.00 1.68 1.90 0.00 3.27 0.00 0.00 2.89 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.32 0.00 60 V 8.89 4.64 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 0.85 0.00 0.00 1.01 0.00 0.00 61 P 0.00 4.29 0.00 2.09 2.07 0.00 3.72 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.19 0.00 62 G 8.37 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 0.00 0.00 0.00 63 K 8.18 4.36 0.00 1.77 1.76 0.00 1.75 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.43 7.81 64 C 8.45 4.87 0.00 3.04 2.97 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 0.00 0.00 0.00 65 R 9.07 4.27 0.00 1.94 1.79 0.00 3.17 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00