NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4087 0.0000 0.0000 62.2834 32.5424 176.2659 2 K 4.1977 8.5002 122.2680 55.5869 33.5666 175.2618 3 I 3.9113 9.2032 122.4407 61.4410 38.5638 176.9639 4 K 4.5290 8.5067 124.2252 54.9746 33.3057 176.2451 5 T 4.2348 8.3956 114.5734 60.5472 69.8786 175.1709 6 V 3.7384 8.2416 125.5859 62.8122 29.7619 176.3371 7 R 3.8299 8.3503 123.7296 59.2249 30.3359 179.0183 8 G 3.8922 8.3044 105.9992 48.8280 0.0000 175.3713 9 A 4.0526 8.5157 122.8406 55.2420 18.4258 179.2341 10 A 4.2830 7.8692 116.0065 54.0709 18.3634 177.9455 11 K 4.5857 7.5654 113.4052 55.9994 32.1333 177.4610 12 R 4.4067 8.0663 115.7453 55.4481 33.1869 174.4301 13 F 5.4487 7.5744 114.8650 55.6892 43.6203 174.2993 14 K 4.5107 8.9611 114.6643 55.8952 35.7984 174.8710 15 K 4.0198 9.5232 126.3912 56.2831 32.7712 176.2678 16 T 4.7274 7.5729 114.4905 60.6706 70.0597 175.4524 17 G 3.8520 8.2628 110.1814 46.8966 0.0000 173.8764 18 K 4.1761 7.6308 120.2497 56.7441 36.7257 177.0231 19 G 3.6076 9.1286 105.3628 48.2109 0.0000 173.1644 20 G 3.9328 7.7059 108.4623 46.0500 0.0000 173.2535 21 F 5.2129 8.3053 111.8377 56.1977 44.2803 173.8936 22 K 3.9404 8.5069 124.4367 56.1757 32.5223 173.8991 23 H 4.7205 8.7036 116.0346 54.8950 30.8116 171.3029 24 K 4.5508 8.3095 120.0309 54.9335 33.6099 176.5497 25 H 4.3474 8.7178 122.9064 56.1305 29.0950 174.9915 26 A 4.4939 8.3276 124.6163 51.9200 21.0311 177.6206 27 N 4.3264 8.8679 113.1847 54.0360 36.2846 175.0768 28 L 4.6653 7.6751 120.2188 51.1523 41.7164 175.8814 29 R 5.2761 7.7315 126.0092 56.2355 30.2306 174.3929 30 H 4.6298 8.1489 117.0654 56.1354 32.5869 172.6545 31 I 3.1467 8.4852 119.7411 62.1748 35.5780 172.5661 32 L 4.5848 7.9457 124.4744 56.0019 44.4476 178.9321 33 T 3.4698 8.1259 111.8766 64.8927 67.1127 173.8770 34 K 4.4969 7.9381 117.7360 56.2422 32.8802 175.8465 35 K 4.5369 8.5907 119.3316 54.1728 34.8039 176.6298 36 A 4.0523 8.5651 124.9641 52.5236 19.7351 178.5182 37 T 3.7672 8.5645 115.3695 64.9628 68.7788 176.1458 38 K 3.6444 8.1167 122.0036 59.4048 31.8891 178.0715 39 R 3.8955 8.0106 117.6522 59.5854 29.9806 178.1286 40 K 4.1125 7.7402 117.7483 59.1743 31.7900 178.8578 41 R 3.8691 8.3599 119.2991 60.0287 29.5601 177.6147 42 H 4.7456 7.7026 111.8451 56.2688 28.5599 175.9727 43 L 4.5821 8.3638 122.3669 55.5463 44.2849 178.1826 44 R 4.0356 7.8110 116.6583 58.6402 30.0122 175.2350 45 P 4.4863 0.0000 0.0000 62.6809 31.9680 174.8188 46 K 4.6800 8.5899 117.1792 53.9679 33.5958 176.4358 47 A 4.5816 8.0385 126.3612 50.7245 21.5011 176.3339 48 M 4.3979 8.3476 119.2758 55.8898 33.4721 177.8373 49 V 3.9637 8.8457 120.4001 64.5628 30.4236 176.0717 50 S 4.5280 9.6101 116.9739 57.4952 68.4149 177.4794 51 K 3.9265 8.5836 119.4200 56.8559 31.2691 174.6975 52 G 3.9697 7.9725 103.1721 48.0941 0.0000 174.0775 53 D 4.5706 8.1324 118.9480 53.8579 41.7871 178.1798 54 L 3.9416 8.3549 122.2720 58.6158 41.6659 178.8437 55 G 3.9574 8.1177 103.2567 48.2739 0.0000 174.5031 56 L 3.9199 8.0134 122.3994 57.6585 42.0552 178.8196 57 V 3.1315 7.3902 117.4955 65.7165 31.4001 179.8227 58 I 4.2487 7.1443 111.8182 59.9522 37.1661 176.0107 59 A 4.5988 7.5272 120.9817 54.0280 25.2192 177.6245 60 C 4.5256 8.3817 113.0089 60.0148 29.3403 173.6941 61 L 4.9670 7.1785 119.4383 52.9561 42.2135 175.9910 62 P 4.2897 0.0000 0.0000 66.2460 31.7733 180.0261 63 Y 4.4075 7.8416 114.1364 58.1175 37.4320 175.7545 64 A 4.3875 7.6543 127.0001 52.4863 19.3990 176.6570 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 P 0.00 4.41 0.00 2.21 2.15 0.00 3.74 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 1.90 1.97 0.00 2 K 8.50 4.20 0.00 2.17 2.01 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.79 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.53 7.81 3 I 9.20 3.91 1.92 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 1.43 0.55 0.97 0.00 0.00 4 K 8.51 4.53 0.00 1.77 1.76 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.43 7.81 5 T 8.40 4.23 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 1.38 0.00 0.00 6 V 8.24 3.74 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 1.04 0.00 0.00 0.96 0.00 0.00 7 R 8.35 3.83 0.00 1.96 1.97 0.00 3.28 0.00 0.00 3.35 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 8 G 8.30 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 0.00 0.00 0.00 9 A 8.52 4.05 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.87 4.28 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 11 K 7.57 4.59 0.00 1.95 1.81 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.59 7.81 12 R 8.07 4.41 0.00 1.06 1.26 0.00 3.08 0.00 0.00 3.12 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.48 0.00 13 F 7.57 5.45 0.00 2.84 2.94 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 14 K 8.96 4.51 0.00 1.84 1.97 0.00 1.44 0.00 0.00 2.00 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.51 7.81 15 K 9.52 4.02 0.00 1.74 1.71 0.00 1.48 0.00 0.00 0.61 0.00 0.00 2.73 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.24 0.89 7.81 16 T 7.57 4.73 4.20 0.00 0.00 0.00 0.00 0.00 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 17 G 8.26 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 0.00 0.00 0.00 18 K 7.63 4.18 0.00 1.90 1.72 0.00 1.17 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.16 1.23 7.81 19 G 9.13 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 7.71 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.31 5.21 0.00 3.23 3.23 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.51 3.94 0.00 1.92 1.84 0.00 2.01 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.57 7.81 23 H 8.70 4.72 0.00 3.10 3.34 0.00 5.47 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.31 4.55 0.00 1.66 1.69 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.78 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.35 7.81 25 H 8.72 4.35 0.00 3.39 3.22 0.00 5.74 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.33 4.49 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 27 N 8.87 4.33 0.00 2.88 2.95 0.00 0.00 6.49 7.85 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 28 L 7.68 4.67 0.00 1.56 1.55 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.73 5.28 0.00 1.99 2.02 0.00 3.12 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.40 0.00 30 H 8.15 4.63 0.00 3.05 3.13 0.00 5.89 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.49 3.15 1.77 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 1.39 0.81 0.76 0.00 0.00 32 L 7.95 4.58 0.00 1.70 1.62 0.93 0.67 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 33 T 8.13 3.47 4.24 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 1.21 0.00 0.00 34 K 7.94 4.50 0.00 1.89 1.87 0.00 1.56 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.35 1.44 7.81 35 K 8.59 4.54 0.00 1.79 1.71 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.33 7.81 36 A 8.57 4.05 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 37 T 8.56 3.77 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 1.20 0.00 0.00 38 K 8.12 3.64 0.00 1.80 1.83 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.49 1.43 7.81 39 R 8.01 3.90 0.00 1.84 2.19 0.00 3.28 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 40 K 7.74 4.11 0.00 2.02 1.81 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.61 7.81 41 R 8.36 3.87 0.00 1.76 1.97 0.00 3.07 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 42 H 7.70 4.75 0.00 3.17 3.25 0.00 5.67 0.00 0.00 0.00 0.00 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.36 4.58 0.00 1.72 1.65 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.81 4.04 0.00 1.98 2.03 0.00 3.17 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 45 P 0.00 4.49 0.00 2.20 2.11 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 46 K 8.59 4.68 0.00 1.62 1.91 0.00 1.86 0.00 0.00 0.61 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.19 7.81 47 A 8.04 4.58 1.10 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 48 M 8.35 4.40 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.50 0.00 49 V 8.85 3.96 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.27 0.00 0.00 50 S 9.61 4.53 0.00 4.02 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 51 K 8.58 3.93 0.00 1.91 1.97 0.00 1.62 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.49 7.81 52 G 7.97 3.97 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 0.00 0.00 0.00 53 D 8.13 4.57 0.00 2.74 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.35 3.94 0.00 1.85 1.70 1.14 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.12 3.96 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 0.00 0.00 0.00 56 L 8.01 3.92 0.00 1.94 1.47 0.88 0.68 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 57 V 7.39 3.13 0.96 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 -0.77 0.00 0.00 0.44 0.00 0.00 58 I 7.14 4.25 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.84 1.20 0.00 0.00 59 A 7.53 4.60 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 60 C 8.38 4.53 0.00 2.81 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.18 4.97 0.00 1.56 1.61 0.82 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.29 0.00 1.97 2.03 0.00 3.71 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 2.02 2.16 0.00 63 Y 7.84 4.41 0.00 3.02 2.94 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 64 A 7.65 4.39 1.42 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 0.00 0.00 0.00