NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.0632 8.3101 120.1325 54.8745 34.2812 176.5950 20 A 3.8136 8.2217 116.3442 51.4565 17.6416 175.2199 21 K 4.5481 8.1916 118.2318 54.3509 35.5859 175.6059 22 V 3.4578 8.7973 124.9578 66.4473 31.6781 178.2552 23 K 4.2237 7.9683 119.5621 59.4615 32.7193 177.1171 24 A 4.4930 7.1882 120.5649 51.1011 17.1529 177.4722 25 T 4.6256 7.7749 112.4161 62.5676 72.2693 173.9461 26 L 4.3297 7.5632 120.2426 54.5153 45.4249 173.4724 27 G 3.9201 8.3958 109.2489 43.6481 0.0000 172.1240 28 E 3.6518 8.6213 119.7188 56.5037 29.3349 176.5185 29 F 4.9310 7.6832 120.0017 54.8103 41.1688 174.3682 30 D 4.6035 8.7388 122.7650 53.8892 40.0421 175.7706 31 L 4.2822 8.5289 127.7184 56.1315 40.6529 177.8513 32 R 4.3696 7.7498 121.3754 58.0010 31.9094 175.5893 33 D 4.2686 7.7899 118.3403 53.4417 39.1764 175.8269 34 Y 4.2451 7.7840 123.2161 58.6368 38.4145 178.0032 35 R 4.3036 7.7602 119.8803 57.6184 30.9326 177.2598 36 N 4.8670 8.0289 116.7502 55.6905 37.3792 179.0583 37 V 3.3277 8.4900 115.2952 66.0436 31.9644 178.9516 38 E 3.7348 8.0325 118.2948 59.4739 28.7816 179.1207 39 V 3.7421 8.3825 119.1023 64.6501 31.4068 178.0468 40 L 3.9781 7.3874 117.7449 57.8838 41.7062 179.2943 41 K 3.4482 8.8290 120.3197 60.0436 31.7189 178.5498 42 R 4.0357 9.1796 117.3616 58.0921 29.9994 177.2034 43 F 4.5071 8.8437 117.2162 57.0421 39.1665 175.2138 44 L 4.9319 7.3328 121.5333 52.5759 43.4668 177.3081 45 S 4.4553 8.6935 117.7125 57.9808 64.1232 173.7306 46 E 4.1026 8.8228 118.8762 60.3922 29.6071 178.7855 47 T 4.7485 7.6161 114.4224 67.4876 68.5039 174.5640 48 G 3.4456 8.1193 109.8954 44.5583 0.0000 173.9833 49 K 4.0539 7.8790 121.4372 56.8436 32.6414 177.5302 50 I 4.1338 8.3345 123.2529 64.0554 36.8915 177.4950 51 L 3.2993 8.1437 114.3375 55.0064 38.2730 173.4048 52 P 4.3825 0.0000 0.0000 62.6478 31.6150 177.0146 53 R 4.0299 8.4600 117.4062 58.8210 29.2436 177.3106 54 R 3.9446 6.8427 117.1509 59.5945 30.6392 178.1445 55 R 4.0334 7.9618 118.3272 58.5621 31.0809 178.3620 56 T 4.0063 7.8681 111.8655 61.5671 68.9420 173.9378 57 G 4.2782 8.0064 108.3937 46.6709 0.0000 171.0961 58 L 5.0819 7.6571 116.4689 51.3812 46.2879 177.0489 59 S 4.6076 9.0161 115.5943 57.4312 66.1578 174.7162 60 A 4.0185 8.3524 122.1177 55.1710 17.8167 179.4294 61 K 4.0708 7.9122 116.6915 59.6914 32.5381 177.7688 62 E 4.0728 8.6233 120.1574 57.7195 29.1646 178.6453 63 Q 3.9425 8.5570 119.1970 59.7308 29.6343 179.8723 64 R 3.9013 7.5908 117.9020 60.1344 30.0036 178.3020 65 I 3.6288 7.6772 117.1945 64.6708 37.2939 178.3396 66 L 3.6729 7.4861 119.2204 58.4808 42.6156 178.5128 67 A 3.9650 8.4460 119.8049 56.0396 18.7327 179.1717 68 K 4.6638 8.0976 117.0337 55.7020 31.5239 177.6163 69 T 4.7151 7.3897 115.6158 64.5021 75.4211 176.5659 70 I 3.5818 8.3315 121.6291 64.5922 37.2932 177.9374 71 K 3.8313 8.0013 118.6223 59.9226 31.8875 178.8769 72 R 3.7816 8.0161 116.8948 59.7472 29.9291 178.6930 73 A 3.9816 7.8712 119.5406 55.3470 18.0623 179.8995 74 R 3.7013 7.6978 116.0530 59.1327 29.8078 178.8827 75 I 4.2213 7.8655 120.0553 63.7653 37.2004 177.3093 76 L 4.4661 7.5741 118.4592 54.0485 40.9629 178.3539 77 G 3.9936 7.7039 106.3203 46.2617 0.0000 175.4360 78 L 4.1020 7.6918 118.1453 55.5412 42.0083 176.8954 79 L 4.8018 7.1022 118.2798 51.7298 45.2523 174.6754 80 P 4.4633 0.0000 0.0000 62.8962 31.9729 176.4658 81 F 4.1611 8.5554 118.5315 59.3551 39.5431 175.3035 82 T 4.4684 7.3027 114.9917 63.5094 72.2368 171.7531 83 E 4.8302 7.8968 117.0268 55.7546 32.8794 176.0336 84 K 4.5675 8.7373 121.1102 55.8455 33.5872 176.2581 85 L 4.1697 8.2667 123.9785 54.3916 42.4803 176.3523 86 V 3.7162 8.5286 126.6807 63.9090 32.2892 176.6625 87 R 3.1711 8.1488 119.1806 56.6799 30.4536 175.7842 88 K 3.9426 8.2209 121.6473 57.5738 32.4980 174.2193 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 1.73 1.93 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.50 7.81 20 A 8.22 3.81 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 21 K 8.19 4.55 0.00 1.74 1.67 0.00 1.83 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.32 7.81 22 V 8.80 3.46 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 -0.24 0.00 0.00 0.69 0.00 0.00 23 K 7.97 4.22 0.00 1.93 1.86 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.46 1.48 7.81 24 A 7.19 4.49 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 25 T 7.77 4.63 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 1.19 0.00 0.00 26 L 7.56 4.33 0.00 1.79 1.76 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.40 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 28 E 8.62 3.65 0.00 1.88 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 2.29 2.28 0.00 29 F 7.68 4.93 0.00 2.99 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 30 D 8.74 4.60 0.00 2.81 2.66 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 0.00 0.00 0.00 0.00 31 L 8.53 4.28 0.00 1.81 2.04 0.97 0.70 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 7.75 4.37 0.00 1.82 2.26 0.00 3.34 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 33 D 7.79 4.27 0.00 2.78 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 0.00 0.00 0.00 0.00 34 Y 7.78 4.25 0.00 3.04 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 35 R 7.76 4.30 0.00 1.88 1.93 0.00 3.10 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.15 0.00 36 N 8.03 4.87 0.00 2.77 2.96 0.00 0.00 6.81 7.57 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 37 V 8.49 3.33 2.05 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 0.85 0.00 0.00 0.91 0.00 0.00 38 E 8.03 3.73 0.00 2.03 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 2.30 2.28 0.00 39 V 8.38 3.74 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.85 0.00 0.00 40 L 7.39 3.98 0.00 1.68 1.63 0.92 0.60 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 8.83 3.45 0.00 1.91 2.00 0.00 1.51 0.00 0.00 1.64 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.56 7.81 42 R 9.18 4.04 0.00 2.07 1.77 0.00 3.17 0.00 0.00 3.19 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 43 F 8.84 4.51 0.00 3.02 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 44 L 7.33 4.93 0.00 1.68 1.58 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.69 4.46 0.00 3.93 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 46 E 8.82 4.10 0.00 1.98 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 0.00 2.32 2.28 0.00 47 T 7.62 4.75 4.33 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 1.28 0.00 0.00 48 G 8.12 3.45 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 0.00 49 K 7.88 4.05 0.00 1.82 1.78 0.00 1.71 0.00 0.00 1.85 0.00 0.00 3.14 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.56 1.44 7.81 50 I 8.33 4.13 1.90 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 1.44 0.75 0.94 0.00 0.00 51 L 8.14 3.30 0.00 1.94 1.77 0.90 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.38 0.00 2.23 2.24 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 53 R 8.46 4.03 0.00 1.94 1.99 0.00 3.29 0.00 0.00 3.38 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 54 R 6.84 3.94 0.00 2.03 1.84 0.00 3.19 0.00 0.00 3.17 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 55 R 7.96 4.03 0.00 1.82 1.94 0.00 3.25 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.57 0.00 56 T 7.87 4.01 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 57 G 8.01 4.28 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 0.00 58 L 7.66 5.08 0.00 1.67 1.69 1.16 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 59 S 9.02 4.61 0.00 4.02 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 0.00 60 A 8.35 4.02 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 61 K 7.91 4.07 0.00 1.77 1.85 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.53 7.81 62 E 8.62 4.07 0.00 2.31 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 2.34 2.32 0.00 63 Q 8.56 3.94 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.65 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 64 R 7.59 3.90 0.00 2.07 2.01 0.00 3.20 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.02 0.00 65 I 7.68 3.63 1.93 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 1.41 0.63 0.98 0.00 0.00 66 L 7.49 3.67 0.00 1.55 1.81 0.37 0.88 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 67 A 8.45 3.97 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 68 K 8.10 4.66 0.00 1.75 1.81 0.00 1.58 0.00 0.00 1.84 0.00 0.00 3.17 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.51 7.81 69 T 7.39 4.72 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 1.33 0.00 0.00 70 I 8.33 3.58 1.97 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 1.53 0.68 0.84 0.00 0.00 71 K 8.00 3.83 0.00 1.77 1.89 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.62 7.81 72 R 8.02 3.78 0.00 1.85 1.69 0.00 3.20 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 73 A 7.87 3.98 1.36 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 0.00 0.00 74 R 7.70 3.70 0.00 1.19 0.66 0.00 2.98 0.00 0.00 2.94 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.74 0.00 75 I 7.87 4.22 2.03 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 1.71 1.07 0.92 0.00 0.00 76 L 7.57 4.47 0.00 1.71 1.69 0.94 0.83 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 77 G 7.70 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 78 L 7.69 4.10 0.00 1.69 1.72 0.95 0.87 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 79 L 7.10 4.80 0.00 1.47 1.35 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.46 0.00 2.19 2.05 0.00 3.70 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 1.96 1.97 0.00 81 F 8.56 4.16 0.00 3.12 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 7.30 4.47 4.30 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 1.25 0.00 0.00 83 E 7.90 4.83 0.00 2.00 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 2.29 2.21 0.00 84 K 8.74 4.57 0.00 1.67 1.79 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.71 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.39 7.81 85 L 8.27 4.17 0.00 1.59 1.58 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.53 3.72 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 0.88 0.00 0.00 0.93 0.00 0.00 87 R 8.15 3.17 0.00 2.03 2.17 0.00 3.35 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 88 K 8.22 3.94 0.00 1.75 1.71 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.17 1.20 7.81