NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.0607 8.3101 121.7865 54.2903 34.4462 175.0534 20 A 4.3699 7.4866 132.9172 49.6674 19.9749 174.4575 21 K 3.9550 8.4047 120.5043 57.4967 33.6576 175.1676 22 V 4.1884 8.1398 121.5463 62.1640 30.9262 176.9300 23 K 4.2185 7.2599 119.4481 57.8706 32.6514 177.2001 24 A 4.6043 7.7721 121.2976 53.1160 18.3797 178.2325 25 T 4.3927 8.1652 115.8131 65.1746 69.1850 174.7893 26 L 4.9691 7.4997 120.5264 52.5138 45.8955 178.2740 27 G 3.9913 8.4354 111.0538 45.6182 0.0000 174.2342 28 E 4.3447 8.6306 116.5540 55.9240 28.0997 177.1480 29 F 4.5792 7.8292 113.5796 56.1698 39.6157 175.2377 30 D 4.4313 8.5509 123.2477 53.5828 42.0853 175.8399 31 L 4.8932 7.9289 123.8952 55.5906 40.7124 176.6966 32 R 4.4455 8.0582 114.5364 56.7365 32.0169 173.9308 33 D 4.4788 7.4026 118.0472 52.7760 40.9077 176.2178 34 Y 4.7787 7.3440 129.0231 56.9526 37.9927 177.0353 35 R 4.6738 7.7461 117.3886 56.7528 33.8039 177.5907 36 N 4.7309 8.0999 117.0570 56.3651 37.0107 178.7071 37 V 3.4528 7.1270 115.5946 64.2127 32.1088 177.5772 38 E 4.2818 8.1983 116.7777 59.5046 29.5061 179.1855 39 V 3.6429 9.2729 118.8151 65.5155 31.6034 177.8792 40 L 4.1743 7.8626 117.8935 57.8999 41.4696 179.2739 41 K 3.8295 9.1318 118.8255 59.7848 32.2150 178.1450 42 R 3.9989 8.0181 118.8170 59.2581 29.9083 178.2938 43 F 4.1454 8.5116 113.9407 57.8824 38.3833 174.3623 44 L 5.3182 7.9996 120.9902 51.5153 43.5613 176.8103 45 S 4.3258 8.5419 119.0471 58.2743 63.3369 174.7177 46 E 4.7052 8.4215 118.5044 55.9249 27.9392 176.9127 47 T 4.3614 7.8446 115.0841 63.5987 75.7496 175.9271 48 G 4.0735 8.4692 109.0519 44.8902 0.0000 173.4153 49 K 4.0817 7.7840 119.9529 55.5401 32.6613 175.8246 50 I 3.9055 8.3963 124.4427 61.6633 37.4561 175.8960 51 L 4.1842 8.8349 128.4485 54.6680 42.5558 176.3841 52 P 4.6215 0.0000 0.0000 62.4474 33.0817 176.5219 53 R 4.5329 8.5939 117.2993 58.2057 30.1968 177.7126 54 R 4.5694 7.8974 115.0343 56.8551 30.1476 176.5910 55 R 4.7362 7.6354 116.1874 57.2597 36.4396 177.4668 56 T 4.0078 8.3775 108.6158 63.0682 69.1329 175.8593 57 G 3.9250 7.8097 108.4144 46.4347 0.0000 173.2298 58 L 4.5790 7.8688 118.4914 52.7032 44.2522 176.0170 59 S 4.5091 8.2714 113.7441 56.8735 63.7533 174.2499 60 A 3.9387 8.5640 125.8183 55.7306 18.3841 179.8563 61 K 3.8947 8.2172 115.0417 60.4664 32.2489 177.9054 62 E 3.9876 8.4426 118.5322 58.1892 28.8410 179.0202 63 Q 3.8111 9.0462 119.6415 59.4329 29.5582 180.4691 64 R 3.9223 7.9382 118.6557 59.5066 30.0325 179.0452 65 I 3.7173 7.2863 117.6862 64.9089 37.2030 177.1330 66 L 3.7864 8.3954 121.3534 56.2281 41.5597 178.5751 67 A 3.9904 7.6596 118.4654 55.5206 18.5672 179.8939 68 K 4.0360 7.8937 116.6919 59.3757 31.9630 178.9743 69 T 4.0055 8.7436 110.6360 63.5964 69.3568 177.1534 70 I 3.7028 7.4802 122.3371 64.1707 36.9336 178.2864 71 K 3.8483 8.2558 118.9588 59.2401 32.1189 179.3949 72 R 3.9394 7.4336 117.9441 59.0997 29.9124 178.8542 73 A 4.0488 8.3277 120.9150 55.4072 18.2473 179.7722 74 R 4.4592 7.9534 117.8209 58.9521 29.7443 179.2497 75 I 4.0000 7.4194 118.1727 63.4716 37.2672 177.2543 76 L 4.4845 8.1379 118.9065 54.0407 41.4636 178.5712 77 G 4.1005 7.8500 107.2186 45.8650 0.0000 175.4623 78 L 4.1147 7.7468 119.6786 57.4549 42.1108 177.3931 79 L 4.6731 7.5627 117.6221 52.4053 43.6819 174.6374 80 P 5.1325 0.0000 0.0000 62.3596 32.6583 175.7970 81 F 4.5469 8.8902 115.5612 59.1862 40.6635 176.4085 82 T 5.5952 7.5324 113.2382 63.0148 72.4692 172.7164 83 E 4.8990 8.6072 122.9951 54.8212 33.7334 174.5183 84 K 4.6993 8.4069 118.2915 54.4851 34.9284 176.5931 85 L 3.9633 8.5555 125.7242 55.3039 42.5982 176.6315 86 V 3.8601 8.2257 125.4874 62.5840 32.8627 177.3318 87 R 3.3582 7.4266 115.4740 57.3112 27.3763 175.8897 88 K 4.1320 8.2633 127.5658 56.5490 32.3127 175.7836 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 19 K 8.31 4.06 0.00 1.70 1.73 0.00 1.58 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.49 7.81 20 A 7.49 4.37 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.40 3.96 0.00 1.76 1.78 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.44 7.81 22 V 8.14 4.19 1.92 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 0.49 0.00 0.00 0.83 0.00 0.00 23 K 7.26 4.22 0.00 2.16 1.66 0.00 1.79 0.00 0.00 2.06 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.54 7.81 24 A 7.77 4.60 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 25 T 8.17 4.39 4.13 0.00 0.00 0.00 0.00 0.00 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 26 L 7.50 4.97 0.00 1.84 1.54 0.31 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.44 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.63 4.34 0.00 1.99 1.96 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 2.32 2.32 0.00 29 F 7.83 4.58 0.00 3.15 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 30 D 8.55 4.43 0.00 2.58 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 4.89 0.00 1.69 1.55 0.80 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.06 4.45 0.00 1.68 2.11 0.00 3.28 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 33 D 7.40 4.48 0.00 2.66 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 7.34 4.78 0.00 3.10 3.07 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 0.00 0.00 0.00 35 R 7.75 4.67 0.00 1.80 1.91 0.00 3.19 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.19 0.00 36 N 8.10 4.73 0.00 2.87 2.83 0.00 0.00 6.85 7.56 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 37 V 7.13 3.45 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 0.95 0.00 0.00 0.94 0.00 0.00 38 E 8.20 4.28 0.00 1.91 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 2.31 2.38 0.00 39 V 9.27 3.64 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 0.44 0.00 0.00 0.94 0.00 0.00 40 L 7.86 4.17 0.00 1.76 1.73 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 41 K 9.13 3.83 0.00 1.84 1.88 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.54 7.81 42 R 8.02 4.00 0.00 1.82 1.66 0.00 2.80 0.00 0.00 2.96 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.48 0.00 43 F 8.51 4.15 0.00 3.12 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 44 L 8.00 5.32 0.00 1.63 1.58 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.54 4.33 0.00 4.00 4.07 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 0.00 0.00 0.00 46 E 8.42 4.71 0.00 1.98 2.00 0.00 0.00 0.00 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 2.27 0.00 47 T 7.84 4.36 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 1.23 0.00 0.00 48 G 8.47 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.78 4.08 0.00 1.81 1.76 0.00 1.72 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.42 7.81 50 I 8.40 3.91 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.70 0.91 0.00 0.00 51 L 8.83 4.18 0.00 1.78 1.69 0.90 0.95 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 52 P 0.00 4.62 0.00 2.13 2.24 0.00 3.72 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 53 R 8.59 4.53 0.00 1.89 1.98 0.00 3.23 0.00 0.00 3.31 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 54 R 7.90 4.57 0.00 1.86 1.94 0.00 3.26 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 55 R 7.64 4.74 0.00 1.81 1.88 0.00 3.28 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 56 T 8.38 4.01 4.51 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 57 G 7.81 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 58 L 7.87 4.58 0.00 1.67 1.71 1.19 0.92 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 59 S 8.27 4.51 0.00 3.89 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 60 A 8.56 3.94 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 61 K 8.22 3.89 0.00 1.82 1.81 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.53 7.81 62 E 8.44 3.99 0.00 2.27 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 0.00 2.37 2.35 0.00 63 Q 9.05 3.81 0.00 2.15 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 64 R 7.94 3.92 0.00 2.06 1.94 0.00 3.18 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.96 0.00 65 I 7.29 3.72 1.92 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 1.39 0.69 0.92 0.00 0.00 66 L 8.40 3.79 0.00 1.62 1.62 0.47 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.66 3.99 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 68 K 7.89 4.04 0.00 1.79 1.88 0.00 1.52 0.00 0.00 1.86 0.00 0.00 3.14 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.49 7.81 69 T 8.74 4.01 4.35 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 1.32 0.00 0.00 70 I 7.48 3.70 1.88 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.74 0.85 0.00 0.00 71 K 8.26 3.85 0.00 1.78 1.82 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.58 7.81 72 R 7.43 3.94 0.00 1.99 1.68 0.00 3.13 0.00 0.00 2.78 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.81 0.00 73 A 8.33 4.05 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 74 R 7.95 4.46 0.00 1.69 1.02 0.00 2.72 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.39 0.00 75 I 7.42 4.00 2.02 0.00 0.00 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 1.61 0.72 0.92 0.00 0.00 76 L 8.14 4.48 0.00 1.84 1.72 0.93 1.09 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 77 G 7.85 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 0.00 0.00 0.00 78 L 7.75 4.11 0.00 1.79 1.78 1.05 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.56 4.67 0.00 1.64 1.51 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 5.13 0.00 2.17 2.25 0.00 3.63 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 81 F 8.89 4.55 0.00 2.94 3.12 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 82 T 7.53 5.60 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 1.25 0.00 0.00 83 E 8.61 4.90 0.00 1.79 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.39 0.00 84 K 8.41 4.70 0.00 1.61 1.69 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.77 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.34 7.81 85 L 8.56 3.96 0.00 1.59 1.59 0.93 0.92 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 86 V 8.23 3.86 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 0.89 0.00 0.00 0.97 0.00 0.00 87 R 7.43 3.36 0.00 2.04 2.35 0.00 3.21 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 88 K 8.26 4.13 0.00 1.71 1.69 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.34 7.81