NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9325 8.3393 109.7344 44.7357 0.0000 173.9037 3 K 3.7968 7.9423 118.9536 55.6626 33.2145 170.8227 4 V 4.4260 8.6737 121.4541 61.3878 35.5357 174.9640 5 Y 5.1006 8.7477 123.8032 56.1416 41.1428 174.6609 6 K 4.5461 8.1270 121.9249 54.5176 35.4820 174.7146 7 K 5.0735 8.4950 124.5449 54.7082 34.4011 175.8798 8 V 4.5047 8.6545 117.6465 59.4893 35.1891 174.4195 9 E 4.9693 8.7591 124.9533 55.0111 30.4665 174.8666 10 L 4.9041 9.0137 127.2794 52.7970 45.8589 175.9571 11 V 4.7514 8.3263 120.7519 61.2117 33.6223 175.0580 12 G 4.5587 9.0911 116.1163 44.9639 0.0000 172.1581 13 T 5.3932 8.0397 112.2882 60.0760 72.0766 172.9575 14 S 4.6577 8.6035 114.9603 57.9779 65.9727 175.8393 15 E 4.4856 8.9990 123.7328 57.4001 30.0238 177.9548 16 E 4.1952 8.4171 118.6827 57.5528 30.0684 176.4339 17 G 3.3582 7.0805 104.1207 44.3894 0.0000 173.2785 18 L 3.7547 7.4217 118.1145 57.8358 41.5826 179.0116 19 E 3.8873 8.1432 117.7902 59.7033 29.4210 179.3558 20 A 3.9179 7.9011 119.6458 54.9578 18.5667 179.3314 21 A 3.9347 7.6821 119.1019 55.3203 18.4960 179.8949 22 I 3.4932 7.6643 118.1990 64.7361 37.1481 178.6660 23 Q 3.8964 8.1709 118.6375 58.8665 28.5383 178.9939 24 A 3.9337 8.0155 121.5866 54.9357 18.3234 179.5289 25 A 3.8733 7.8032 118.7701 55.3935 18.4834 179.7652 26 L 3.8191 7.8609 117.2806 57.7349 41.4073 179.5661 27 A 3.9367 8.0863 120.4228 55.0201 18.5865 179.4597 28 R 3.8998 7.9386 116.7975 59.3454 30.2329 178.1965 29 A 3.8783 8.0951 121.0406 55.5363 18.1137 179.6449 30 R 3.8387 7.9961 115.4779 59.3224 30.0540 178.5167 31 K 4.1530 7.8278 118.1049 58.5969 32.1320 177.6592 32 T 4.5188 7.6842 105.2263 60.5216 70.4197 173.4818 33 L 4.5520 7.6727 121.9248 52.7801 44.1063 175.8655 34 R 4.5262 7.9500 120.2119 55.7228 33.0591 174.9536 35 H 4.1970 8.5766 114.3717 56.6945 25.9050 175.1529 36 L 4.5632 8.1945 118.8571 55.7848 42.0431 175.6504 37 D 5.1996 9.2375 122.4983 55.1856 42.9254 176.3055 38 W 5.5776 7.8593 113.2955 55.1134 32.1038 172.8470 39 F 5.3313 8.4134 113.9347 55.3343 40.8021 173.6118 40 E 4.7693 9.3232 119.3370 54.6514 33.2801 174.9666 41 V 4.3887 8.6110 124.0914 62.5901 32.0509 175.1355 42 K 4.5200 9.5610 127.6276 57.8371 33.7029 176.6787 43 E 4.8520 7.9837 117.0558 54.6649 34.3807 174.3239 44 I 5.0692 8.4333 122.1031 59.8089 40.0003 174.7097 45 A 4.6774 9.0216 127.9306 51.6329 23.2320 174.0437 46 G 4.1492 8.1738 103.5943 46.7315 0.0000 172.9443 47 T 4.7693 8.1286 110.0053 59.9876 71.6940 173.5453 48 I 4.7709 8.2490 122.8545 59.8132 39.6225 175.6140 49 G 4.3263 8.7514 116.1832 44.4592 0.0000 173.1080 50 E 3.8776 8.9516 117.6472 58.7372 29.7202 177.4576 51 A 4.6218 7.9725 119.5837 51.8551 20.4328 176.3585 52 G 3.9932 7.4837 106.2044 44.6619 0.0000 176.5363 53 V 3.7264 8.2354 124.9194 63.2671 31.3840 175.0553 54 K 4.1829 8.8538 128.9885 58.3690 33.4990 175.8711 55 E 4.8419 7.5229 120.5039 54.5184 33.0119 173.6554 56 Y 4.6764 8.9724 125.3993 57.8493 39.7360 174.6160 57 Q 5.0232 9.6982 122.4403 54.1482 32.7140 174.3975 58 V 4.7673 8.9599 124.9328 61.0084 34.2310 174.4441 59 V 4.6497 8.6175 129.5748 62.0878 32.6004 174.7537 60 L 5.3652 9.2498 127.9205 54.1061 44.3781 175.0903 61 E 4.8553 9.2074 121.1609 55.5258 31.4371 175.2308 62 V 4.4797 9.0336 124.9673 61.0286 33.9551 174.3756 63 G 3.2487 8.1392 115.8761 44.1833 0.0000 172.3543 64 F 5.6237 8.2784 117.5975 55.0787 41.8356 173.4532 65 R 4.3145 8.8762 122.2057 56.2045 30.5906 175.9271 66 L 4.3868 8.3484 127.2668 54.3286 42.2412 177.1930 67 E 4.1920 8.8167 123.1129 55.7304 30.4213 176.5377 68 E 4.0912 8.5242 119.8641 56.6614 29.7179 176.4639 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 2 G 8.34 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 3 K 7.94 3.80 0.00 1.54 1.67 0.00 1.56 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.49 7.81 4 V 8.67 4.43 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 1.07 0.00 0.00 0.89 0.00 0.00 5 Y 8.75 5.10 0.00 3.01 2.99 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 6 K 8.13 4.55 0.00 1.52 0.74 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.20 1.28 7.81 7 K 8.49 5.07 0.00 1.64 1.64 0.00 2.01 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.10 1.39 7.81 8 V 8.65 4.50 2.13 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 0.83 0.00 0.00 1.08 0.00 0.00 9 E 8.76 4.97 0.00 1.98 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 10 L 9.01 4.90 0.00 1.54 1.48 0.87 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.33 4.75 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 0.81 0.00 0.00 0.94 0.00 0.00 12 G 9.09 4.56 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 0.00 0.00 0.00 13 T 8.04 5.39 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 1.22 0.00 0.00 14 S 8.60 4.66 0.00 3.91 3.77 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 15 E 9.00 4.49 0.00 2.03 2.02 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 2.48 2.30 0.00 16 E 8.42 4.20 0.00 1.97 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 2.34 2.27 0.00 17 G 7.08 3.36 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 0.00 18 L 7.42 3.75 0.00 1.56 1.64 0.87 0.89 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 19 E 8.14 3.89 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 20 A 7.90 3.92 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 21 A 7.68 3.93 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 22 I 7.66 3.49 1.88 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 1.43 0.85 0.36 0.00 0.00 23 Q 8.17 3.90 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 24 A 8.02 3.93 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 25 A 7.80 3.87 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 26 L 7.86 3.82 0.00 1.59 1.63 0.57 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.09 3.94 1.30 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 0.00 0.00 0.00 28 R 7.94 3.90 0.00 1.93 2.03 0.00 3.13 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 29 A 8.10 3.88 1.30 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 0.00 0.00 0.00 30 R 8.00 3.84 0.00 1.84 2.18 0.00 3.25 0.00 0.00 3.20 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 31 K 7.83 4.15 0.00 1.96 1.81 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.45 7.81 32 T 7.68 4.52 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 33 L 7.67 4.55 0.00 1.42 0.91 0.38 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.95 4.53 0.00 1.66 1.50 0.00 3.26 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.52 0.00 35 H 8.58 4.20 0.00 3.67 3.53 0.00 5.63 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.19 4.56 0.00 1.67 1.67 0.86 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.24 5.20 0.00 2.96 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 38 W 7.86 5.58 0.00 3.26 3.19 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 39 F 8.41 5.33 0.00 3.01 2.93 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 40 E 9.32 4.77 0.00 1.97 1.91 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 2.36 2.52 0.00 41 V 8.61 4.39 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.12 0.00 0.00 42 K 9.56 4.52 0.00 1.78 1.85 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.57 7.81 43 E 7.98 4.85 0.00 1.88 1.79 0.00 0.00 0.00 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 2.35 0.00 44 I 8.43 5.07 1.92 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 1.32 0.65 1.00 0.00 0.00 45 A 9.02 4.68 1.20 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 0.00 0.00 0.00 46 G 8.17 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.13 4.77 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 1.18 0.00 0.00 48 I 8.25 4.77 1.84 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 1.22 0.61 0.94 0.00 0.00 49 G 8.75 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 0.00 0.00 0.00 0.00 50 E 8.95 3.88 0.00 1.96 2.02 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 2.30 2.24 0.00 51 A 7.97 4.62 1.25 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 52 G 7.48 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 53 V 8.24 3.73 1.78 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 -0.24 0.00 0.00 0.70 0.00 0.00 54 K 8.85 4.18 0.00 1.90 1.80 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.75 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.34 7.81 55 E 7.52 4.84 0.00 1.81 1.68 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 0.00 2.20 2.26 0.00 56 Y 8.97 4.68 0.00 3.06 2.84 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 0.00 0.00 0.00 0.00 57 Q 9.70 5.02 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 58 V 8.96 4.77 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 0.97 0.00 0.00 0.96 0.00 0.00 59 V 8.62 4.65 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 0.92 0.00 0.00 0.95 0.00 0.00 60 L 9.25 5.37 0.00 1.97 1.76 0.89 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.21 4.86 0.00 1.91 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 62 V 9.03 4.48 2.07 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 0.93 0.00 0.00 0.90 0.00 0.00 63 G 8.14 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 64 F 8.28 5.62 0.00 3.38 3.05 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 0.00 0.00 0.00 0.00 65 R 8.88 4.31 0.00 2.05 1.94 0.00 3.11 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.08 0.00 66 L 8.35 4.39 0.00 1.60 1.56 0.86 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.82 4.19 0.00 2.01 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 0.00 2.38 2.42 0.00 68 E 8.52 4.09 0.00 1.89 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00