NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8690 8.3544 109.7328 45.3951 0.0000 172.8883 2 R 4.3815 8.2998 122.9681 53.9340 32.2265 173.2303 3 Q 4.6134 8.7837 121.8068 53.3047 33.1518 174.6235 4 F 4.2042 8.3310 117.9804 59.2913 39.2930 176.2077 5 G 4.0363 9.4341 112.8884 45.6208 0.0000 173.6065 6 H 4.9951 7.5618 113.8685 55.4256 29.8142 174.8946 7 L 4.0630 7.7371 120.0251 56.6356 41.9029 176.8061 8 T 4.3994 7.1559 110.4621 61.1160 70.2589 172.5890 9 R 4.3034 8.3547 124.9808 55.1220 30.5416 175.6235 10 V 4.4713 8.2071 124.2921 61.0177 34.4501 174.5782 11 R 4.4644 7.9572 124.5330 55.7736 33.3852 174.5900 12 H 4.0539 8.8049 117.5050 57.2367 25.8269 174.9871 13 V 4.2599 7.8664 118.6282 61.1106 32.9653 174.2973 14 I 4.0615 8.2610 128.4864 60.1203 38.1336 175.2655 15 T 4.4150 8.1372 121.9655 61.9243 69.8737 173.1686 16 Y 4.5917 8.5866 124.7429 56.6167 39.2010 175.3812 17 S 4.8667 8.5199 119.7159 56.6066 66.8667 173.1750 18 L 4.8171 8.0703 121.4947 52.5105 44.4376 176.7368 19 S 4.2791 8.4381 116.5657 57.5976 62.8495 173.5636 20 P 4.2094 0.0000 0.0000 65.3661 31.1788 177.9515 21 F 4.2417 7.7753 116.2976 58.8888 39.1260 176.0725 22 E 4.4205 8.0670 119.4242 56.5784 30.0934 176.0523 23 Q 4.7337 7.2152 115.8719 53.6551 31.2465 175.4245 24 R 4.1181 8.2495 115.6745 55.5818 30.6833 176.6162 25 A 3.7108 8.4647 123.7734 54.6061 18.4384 177.9605 26 F 4.7055 7.3084 115.6399 54.8351 38.4063 173.7382 27 P 4.3043 0.0000 0.0000 65.0310 32.3273 177.0822 28 H 4.9594 7.6570 113.1224 53.9072 29.4464 173.3813 29 Y 4.0697 8.1434 124.3409 60.2308 39.6203 177.7141 30 F 4.5307 7.9466 117.2388 59.1094 39.8586 178.1301 31 S 4.1522 8.1999 112.6564 61.2132 63.2189 175.6551 32 K 4.3323 8.2974 122.7229 57.8707 32.3660 178.5347 33 G 3.6612 7.7555 107.1271 47.0179 0.0000 175.1788 34 I 3.6644 7.6681 122.8023 63.6351 37.3156 176.5695 35 P 4.2758 0.0000 0.0000 65.7540 31.1477 178.4700 36 N 4.3303 7.8126 114.0137 56.2180 38.5447 177.8278 37 V 3.6160 7.6683 120.5138 64.9042 31.3876 178.2825 38 L 3.9799 7.7803 119.3537 57.3938 41.5681 179.4843 39 R 3.8868 8.0828 118.8540 59.1726 29.8894 178.1848 40 R 4.3066 7.6985 112.9352 57.6156 30.1244 178.5033 41 T 4.0218 7.9688 117.5923 66.8762 68.3840 176.4403 42 R 3.8523 7.9162 118.9603 59.5308 30.1422 178.0347 43 A 4.2180 7.8708 118.7562 53.9627 18.6034 177.4956 44 C 4.7920 8.3248 110.3860 57.2822 31.3421 176.1661 45 I 3.6733 7.8897 114.2417 63.9044 37.0036 177.5435 46 L 4.2551 7.8890 118.6776 56.0290 41.8891 177.3832 47 R 4.4072 7.9733 117.0466 57.1084 32.0418 178.2785 48 V 3.7843 7.8019 116.3448 65.5148 31.7796 177.8503 49 A 4.1810 7.7404 120.2672 54.9195 18.4714 177.7893 50 P 4.2421 0.0000 0.0000 65.2471 31.2907 177.0271 51 P 4.3715 0.0000 0.0000 65.2304 31.3192 178.5763 52 F 4.7112 7.4096 116.8255 60.6624 38.8917 177.9301 53 V 3.8651 8.4840 118.1552 66.0176 31.3015 177.9861 54 A 4.0872 7.8657 119.3489 54.9536 18.2117 179.4478 55 F 4.1922 8.5351 119.2796 61.6420 39.5605 176.4998 56 Y 3.9546 8.8075 119.5502 60.9070 38.4246 178.4131 57 L 3.9432 8.0843 119.6418 57.8594 41.6579 179.7191 58 V 3.6455 7.7769 117.9976 65.6232 31.3608 177.6257 59 Y 3.8583 8.1722 119.9111 60.8290 38.5276 177.5851 60 T 3.2914 7.8301 117.0171 66.0392 68.3744 176.5578 61 W 4.0709 8.3676 130.5484 60.3480 30.7937 178.2055 62 G 3.4608 7.9588 105.5925 48.1555 0.0000 175.7735 63 T 3.7668 7.4569 118.2398 66.0723 68.4835 176.6034 64 Q 3.8015 7.4316 121.5370 59.2572 28.9063 178.1156 65 E 3.6155 7.4957 118.9973 58.7483 29.4786 178.2086 66 F 4.3509 7.6527 120.3074 61.1056 39.5011 176.8122 67 E 3.7527 7.5219 116.9955 58.4889 30.7097 178.5285 68 K 4.3049 7.2481 119.5895 54.3942 30.6546 175.4187 69 S 4.6652 7.4254 112.4005 59.3602 69.3556 176.9786 70 K 4.0509 7.8665 119.4921 58.8715 32.1251 177.9950 71 R 4.1556 7.5868 116.5504 55.8080 30.6837 176.0578 72 K 4.5628 8.0678 119.4742 55.3028 35.5935 175.7515 73 N 4.3388 8.9760 122.1007 56.0020 39.1405 173.4104 74 P 4.6126 0.0000 0.0000 60.7807 32.9018 175.7810 75 A 4.1504 8.3405 121.1230 52.7284 18.2579 177.5889 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 G 8.35 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 2 R 8.30 4.38 0.00 1.77 1.71 0.00 3.38 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.75 0.00 3 Q 8.78 4.61 0.00 2.16 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 4 F 8.33 4.20 0.00 3.07 2.96 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 5 G 9.43 4.04 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 0.00 0.00 0.00 6 H 7.56 5.00 0.00 3.18 3.23 0.00 5.66 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 7 L 7.74 4.06 0.00 1.62 1.63 0.56 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.16 4.40 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 1.22 0.00 0.00 9 R 8.35 4.30 0.00 1.80 1.82 0.00 3.23 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 10 V 8.21 4.47 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 0.94 0.00 0.00 11 R 7.96 4.46 0.00 1.60 1.16 0.00 3.34 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.54 0.00 12 H 8.80 4.05 0.00 3.32 3.39 0.00 5.64 0.00 0.00 0.00 0.00 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.87 4.26 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 0.84 0.00 0.00 0.98 0.00 0.00 14 I 8.26 4.06 1.71 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 1.30 0.65 0.08 0.00 0.00 15 T 8.14 4.42 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 1.21 0.00 0.00 16 Y 8.59 4.59 0.00 2.91 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 17 S 8.52 4.87 0.00 3.80 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.07 4.82 0.00 1.60 1.54 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.44 4.28 0.00 3.92 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 20 P 0.00 4.21 0.00 1.75 2.07 0.00 3.77 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 1.65 1.80 0.00 21 F 7.78 4.24 0.00 3.03 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 22 E 8.07 4.42 0.00 1.99 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 2.36 2.42 0.00 23 Q 7.22 4.73 0.00 1.95 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.88 0.00 0.00 0.00 0.00 0.00 2.39 2.16 0.00 24 R 8.25 4.12 0.00 1.92 1.95 0.00 3.16 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 25 A 8.46 3.71 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.31 4.71 0.00 2.89 2.80 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 27 P 0.00 4.30 0.00 2.08 2.06 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 28 H 7.66 4.96 0.00 3.22 3.22 0.00 5.83 0.00 0.00 0.00 0.00 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 8.14 4.07 0.00 2.86 2.33 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 30 F 7.95 4.53 0.00 3.13 2.96 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 31 S 8.20 4.15 0.00 4.07 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 32 K 8.30 4.33 0.00 1.99 1.84 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.43 7.81 33 G 7.76 3.66 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 0.00 0.00 0.00 34 I 7.67 3.66 2.01 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.00 0.91 0.00 0.00 35 P 0.00 4.28 0.00 2.14 2.11 0.00 3.55 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.19 0.00 36 N 7.81 4.33 0.00 3.05 2.84 0.00 0.00 6.75 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 7.67 3.62 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 0.94 0.00 0.00 0.93 0.00 0.00 38 L 7.78 3.98 0.00 1.90 1.76 0.92 0.66 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 39 R 8.08 3.89 0.00 2.05 2.09 0.00 3.24 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 40 R 7.70 4.31 0.00 2.04 2.03 0.00 3.12 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.66 0.00 41 T 7.97 4.02 4.37 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 1.22 0.00 0.00 42 R 7.92 3.85 0.00 2.04 2.10 0.00 3.26 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 43 A 7.87 4.22 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 44 C 8.32 4.79 0.00 3.06 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 45 I 7.89 3.67 1.89 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 1.51 0.81 0.93 0.00 0.00 46 L 7.89 4.26 0.00 1.66 1.76 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.97 4.41 0.00 1.75 1.93 0.00 3.31 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 48 V 7.80 3.78 2.15 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 1.26 0.00 0.00 1.02 0.00 0.00 49 A 7.74 4.18 1.45 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 50 P 0.00 4.24 0.00 2.15 2.13 0.00 3.58 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.20 0.00 51 P 0.00 4.37 0.00 1.64 1.89 0.00 3.58 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.04 0.00 52 F 7.41 4.71 0.00 3.32 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 53 V 8.48 3.87 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 1.10 0.00 0.00 0.99 0.00 0.00 54 A 7.87 4.09 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.54 4.19 0.00 3.32 3.44 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 56 Y 8.81 3.95 0.00 3.25 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 57 L 8.08 3.94 0.00 1.92 1.71 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 58 V 7.78 3.65 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 1.08 0.00 0.00 0.97 0.00 0.00 59 Y 8.17 3.86 0.00 2.19 2.40 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 0.00 60 T 7.83 3.29 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 1.00 0.00 0.00 61 W 8.37 4.07 0.00 3.31 3.21 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 62 G 7.96 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 7.46 3.77 3.79 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 0.00 0.00 1.08 0.00 0.00 64 Q 7.43 3.80 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.22 2.41 0.00 65 E 7.50 3.62 0.00 1.16 1.12 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 1.58 2.00 0.00 66 F 7.65 4.35 0.00 2.91 3.18 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 0.00 0.00 0.00 0.00 67 E 7.52 3.75 0.00 1.95 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 0.00 2.24 2.52 0.00 68 K 7.25 4.30 0.00 1.67 1.68 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.41 7.81 69 S 7.43 4.67 0.00 3.86 3.90 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 70 K 7.87 4.05 0.00 1.61 1.81 0.00 1.44 0.00 0.00 1.52 0.00 0.00 2.39 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.31 7.81 71 R 7.59 4.16 0.00 1.73 1.80 0.00 3.23 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 72 K 8.07 4.56 0.00 1.77 1.70 0.00 1.56 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.27 1.44 7.81 73 N 8.98 4.34 0.00 2.69 2.87 0.00 0.00 7.14 7.69 0.00 0.00 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 P 0.00 4.61 0.00 2.07 1.96 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 75 A 8.34 4.15 1.22 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 0.00 0.00 0.00