NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.2824 8.0427 120.5805 54.8627 44.3932 174.8376 4 N 4.6298 8.6419 116.5780 52.0555 40.6007 172.0664 5 I 5.0437 9.2704 126.5559 59.3033 42.0158 173.3727 6 H 5.0665 9.2280 123.5325 54.2010 30.9134 174.5926 7 I 5.7035 8.1354 126.0672 58.9501 35.4986 174.9517 8 K 4.2969 7.8185 125.8541 56.4943 33.4307 176.7415 9 S 4.5446 8.2957 111.6213 59.4953 68.6520 173.8675 10 G 3.7337 7.2074 113.9336 45.5913 0.0000 173.4146 11 Q 4.3623 7.6247 117.8175 55.1826 31.2673 173.7909 12 D 4.6772 7.6044 116.1657 52.3382 44.0027 174.3023 13 K 4.4766 6.8244 119.5901 55.4847 35.0762 175.6756 14 W 4.9535 8.6631 126.3555 53.6886 29.8710 173.7195 15 E 4.2875 8.6900 123.3570 56.8680 30.0113 176.1710 16 V 4.6475 8.6709 117.0520 59.7293 36.4490 173.9517 17 N 5.5888 8.7383 120.4584 50.8671 40.5766 174.3856 18 V 4.6060 8.4256 122.3662 60.9273 35.0991 174.1976 19 A 4.0790 8.8369 130.4685 51.7326 19.2169 176.2540 20 P 4.1581 0.0000 0.0000 65.8476 31.2224 178.3765 21 E 4.0733 7.9904 114.6209 57.3177 30.0635 176.9982 22 S 4.1831 7.7358 115.8587 58.0801 63.1955 173.7389 23 T 4.4878 8.1931 117.2894 61.5661 70.8138 175.2870 24 V 3.8849 8.8209 119.8066 65.2942 31.3081 177.5335 25 L 3.9892 8.2509 120.5374 58.1714 41.7430 178.9156 26 Q 4.0448 7.7686 118.2612 58.7485 28.4538 178.2201 27 F 4.3033 7.7056 120.2311 60.8057 39.5483 177.3460 28 K 4.0479 8.4142 118.7315 59.5255 31.8360 178.8635 29 E 4.0959 7.7046 115.6424 57.7317 29.5837 178.1943 30 A 4.2160 8.1145 120.4646 53.1913 18.9398 178.1479 31 I 4.0499 6.9761 117.0762 62.5994 38.8222 177.1076 32 N 4.6529 7.7278 118.0556 56.3436 38.8104 175.9210 33 K 4.6327 7.8824 114.9962 55.9631 32.1834 175.8345 34 A 4.7353 8.4203 117.4747 51.1515 20.2086 176.9975 35 N 4.2131 8.4918 110.7579 54.4641 39.6993 174.2487 36 G 3.2490 6.3355 107.0859 44.5364 0.0000 173.1949 37 I 4.2492 7.6305 123.1147 58.5650 38.5921 174.0571 38 P 4.6044 0.0000 0.0000 62.1027 31.7573 176.9997 39 V 3.3118 8.1750 118.0032 66.2109 31.2646 176.3996 40 A 4.4344 7.7228 119.7916 52.4901 19.4308 176.8226 41 N 4.9281 7.7202 113.8840 53.3390 38.6351 174.0492 42 Q 4.9143 7.7443 117.1682 54.3481 31.1513 175.5087 43 R 4.5984 8.3742 120.5673 54.7776 34.7505 173.8359 44 L 5.1494 8.6929 123.9585 52.9679 44.6413 175.3599 45 I 5.0164 8.6581 124.5112 59.6608 40.2581 174.0827 46 Y 4.9389 8.9037 127.0320 56.6531 42.8016 174.5227 47 S 3.3688 8.8488 117.1440 58.7968 60.9305 172.8557 48 G 3.9380 8.3832 108.4835 44.4560 0.0000 174.4250 49 K 4.5321 7.9813 119.0746 54.9149 34.0906 175.1159 50 I 4.7534 7.8668 121.2716 60.2593 38.5650 176.0483 51 L 4.2448 8.5635 126.6475 53.7434 42.8885 176.2121 52 K 4.6983 8.5381 117.3960 54.9095 36.0302 177.6783 53 D 4.4548 9.1719 123.8897 57.6088 41.0095 178.7576 54 D 4.4005 8.0277 116.8737 55.3743 40.2797 176.6576 55 Q 4.2652 7.7444 119.2182 54.8937 29.6857 175.6796 56 T 4.4904 7.9248 111.1110 61.1627 69.7955 175.9957 57 V 3.4412 8.6067 122.5417 65.8643 31.3281 177.8526 58 E 4.0697 8.2496 119.2133 58.3754 29.2974 178.4584 59 S 4.2064 8.0577 113.8424 60.7487 63.0379 175.0415 60 Y 4.5138 7.5764 118.6772 57.0173 39.2029 174.1341 61 H 4.1880 8.0574 116.9897 56.6623 26.4082 174.1833 62 I 4.2296 7.4493 118.0256 59.9917 38.8464 176.4657 63 Q 4.3970 8.0217 122.9048 54.1298 30.5347 174.6480 64 D 4.5562 8.3447 119.0941 55.1299 41.7781 175.8980 65 G 3.9199 9.0634 115.0200 47.4314 0.0000 172.7945 66 H 5.1353 8.0809 114.3057 53.6744 33.2657 173.1509 67 S 5.2645 8.7243 116.4960 57.0853 64.6756 173.6455 68 V 4.6614 8.6614 125.2669 61.5114 33.9219 174.5352 69 H 5.1673 9.0621 124.6465 54.9149 30.7269 173.8976 70 L 5.3884 8.1024 121.2553 53.4354 45.8809 175.8243 71 V 4.4998 8.6561 122.3614 60.7098 34.9192 174.6996 72 K 3.9268 8.9259 127.6430 56.9192 32.5381 176.7114 73 S 4.5342 8.3463 120.9421 56.2149 62.6155 173.7640 74 Q 4.1231 8.3770 126.1474 56.0376 28.8661 175.7812 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 3 L 8.04 4.28 0.00 1.59 1.68 0.86 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 4 N 8.64 4.63 0.00 2.86 2.94 0.00 0.00 6.70 7.02 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 5 I 9.27 5.04 2.05 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.66 1.07 0.00 0.00 6 H 9.23 5.07 0.00 3.14 3.20 0.00 5.79 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.14 5.70 2.10 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 1.55 0.63 0.99 0.00 0.00 8 K 7.82 4.30 0.00 1.38 1.62 0.00 1.94 0.00 0.00 1.65 0.00 0.00 2.75 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.21 7.81 9 S 8.30 4.54 0.00 3.86 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 10 G 7.21 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.62 4.36 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.17 2.33 0.00 12 D 7.60 4.68 0.00 2.57 1.54 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 13 K 6.82 4.48 0.00 1.57 1.39 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.47 7.81 14 W 8.66 4.95 0.00 3.24 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 15 E 8.69 4.29 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 16 V 8.67 4.65 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 0.64 0.00 0.00 1.07 0.00 0.00 17 N 8.74 5.59 0.00 2.60 2.75 0.00 0.00 6.98 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 18 V 8.43 4.61 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 0.81 0.00 0.00 1.17 0.00 0.00 19 A 8.84 4.08 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 20 P 0.00 4.16 0.00 2.17 2.27 0.00 3.68 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 2.04 1.94 0.00 21 E 7.99 4.07 0.00 2.07 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 2.26 2.22 0.00 22 S 7.74 4.18 0.00 3.87 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 23 T 8.19 4.49 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 24 V 8.82 3.88 2.57 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 1.21 0.00 0.00 1.12 0.00 0.00 25 L 8.25 3.99 0.00 1.94 1.69 0.98 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.77 4.04 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.58 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 27 F 7.71 4.30 0.00 3.05 3.27 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 28 K 8.41 4.05 0.00 2.00 1.81 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.75 7.81 29 E 7.70 4.10 0.00 2.06 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 2.32 2.29 0.00 30 A 8.11 4.22 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 31 I 6.98 4.05 1.77 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.52 0.66 0.00 0.00 32 N 7.73 4.65 0.00 2.66 2.76 0.00 0.00 6.29 7.61 0.00 0.00 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 K 7.88 4.63 0.00 1.69 1.71 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.37 7.81 34 A 8.42 4.74 1.21 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 35 N 8.49 4.21 0.00 1.44 2.12 0.00 0.00 6.18 7.00 0.00 0.00 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 6.34 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 0.00 0.00 0.00 37 I 7.63 4.25 1.66 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.51 0.84 0.00 0.00 38 P 0.00 4.60 0.00 2.14 1.97 0.00 3.55 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 39 V 8.17 3.31 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 0.83 0.00 0.00 0.98 0.00 0.00 40 A 7.72 4.43 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 41 N 7.72 4.93 0.00 2.63 2.78 0.00 0.00 6.84 7.18 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 42 Q 7.74 4.91 0.00 1.88 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.63 6.72 0.00 0.00 0.00 0.00 0.00 2.17 2.39 0.00 43 R 8.37 4.60 0.00 1.94 1.78 0.00 3.08 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 44 L 8.69 5.15 0.00 1.62 1.63 1.02 0.91 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 45 I 8.66 5.02 1.92 0.00 0.00 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 1.12 0.76 0.90 0.00 0.00 46 Y 8.90 4.94 0.00 2.98 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.85 3.37 0.00 2.72 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.38 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.98 4.53 0.00 1.74 1.74 0.00 1.88 0.00 0.00 1.91 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.40 7.81 50 I 7.87 4.75 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.52 0.97 0.00 0.00 51 L 8.56 4.24 0.00 1.47 1.57 0.86 -0.14 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 52 K 8.54 4.70 0.00 1.78 1.81 0.00 1.77 0.00 0.00 1.87 0.00 0.00 2.86 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.48 7.81 53 D 9.17 4.45 0.00 2.81 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 54 D 8.03 4.40 0.00 2.77 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 55 Q 7.74 4.27 0.00 2.14 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.96 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 56 T 7.92 4.49 4.40 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 1.23 0.00 0.00 57 V 8.61 3.44 1.85 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 0.65 0.00 0.00 0.17 0.00 0.00 58 E 8.25 4.07 0.00 2.14 1.81 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 2.18 2.37 0.00 59 S 8.06 4.21 0.00 3.88 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 60 Y 7.58 4.51 0.00 3.29 3.09 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 0.00 0.00 0.00 61 H 8.06 4.19 0.00 3.28 3.39 0.00 5.84 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 7.45 4.23 1.60 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.53 0.41 0.00 0.00 63 Q 8.02 4.40 0.00 1.63 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.94 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 64 D 8.34 4.56 0.00 2.62 2.56 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 0.00 65 G 9.06 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 66 H 8.08 5.14 0.00 3.17 3.17 0.00 5.60 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.72 5.26 0.00 3.84 3.89 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 68 V 8.66 4.66 2.21 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 1.13 0.00 0.00 0.65 0.00 0.00 69 H 9.06 5.17 0.00 3.34 3.25 0.00 5.63 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 8.10 5.39 0.00 1.77 1.56 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.66 4.50 2.10 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 0.94 0.00 0.00 0.97 0.00 0.00 72 K 8.93 3.93 0.00 1.69 1.75 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.75 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.47 7.81 73 S 8.35 4.53 0.00 3.88 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 74 Q 8.38 4.12 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.42 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00