NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 F 5.0167 8.3249 122.8326 58.0473 40.5632 173.4272 5 Q 3.8475 6.8098 119.0970 55.0565 29.0958 174.5225 6 K 4.1371 9.2563 123.7017 55.9821 33.9303 176.0113 7 I 4.9916 7.7130 122.5576 59.1938 39.3546 175.0654 8 Y 4.6844 8.5994 119.9150 57.3316 39.3800 175.5299 9 S 4.6527 7.5081 114.4549 55.5383 67.1282 173.1626 10 P 4.1607 0.0000 0.0000 66.0015 31.0602 179.2104 11 T 3.7533 7.7477 114.1028 66.6310 68.3983 176.4224 12 Q 3.9620 7.9943 121.2268 58.8160 28.9895 178.0278 13 L 3.8905 7.8644 121.2176 58.1946 42.2268 178.7955 14 A 3.6955 8.0502 120.8755 55.0637 18.2119 179.2596 15 N 4.2055 8.2146 114.6944 56.3603 38.6311 177.3773 16 A 4.0052 7.9258 121.8312 55.6353 18.5824 179.5046 17 M 4.1623 8.6231 117.3975 58.6142 32.0958 179.0741 18 K 4.2196 8.8331 120.0359 59.1269 32.3261 178.7061 19 L 3.9145 7.9540 120.8584 58.1693 42.1692 178.9560 20 V 3.6034 7.8659 118.1713 66.1264 31.4554 177.9045 21 R 4.1494 8.1627 118.2674 59.6666 29.9725 178.5800 22 Q 3.9666 8.1432 117.8349 59.1161 28.5370 178.7449 23 Q 4.0202 8.4077 118.0182 58.0529 28.7419 177.4648 24 N 4.2281 7.2624 115.1664 51.8124 38.6522 175.5879 25 G 3.7593 7.2787 108.1622 45.7797 0.0000 174.0849 26 W 5.7264 7.6974 118.3707 55.2993 29.9765 175.7724 27 T 4.7489 8.3524 109.9473 59.7199 70.9928 175.5254 28 Q 4.1229 8.5079 120.3678 59.0667 29.4013 179.4846 29 S 4.0932 8.2648 114.3628 61.5714 62.9719 176.1978 30 E 3.9822 8.1306 120.3034 59.4312 29.2780 179.2031 31 L 3.7889 7.6868 119.0355 57.4508 41.7412 179.2518 32 A 3.9980 7.9755 120.7313 54.9952 18.1218 179.9221 33 K 3.9076 8.1126 116.9993 59.5322 31.9369 179.5833 34 K 3.9053 7.5666 117.3461 58.9994 32.0817 178.4540 35 I 4.2531 7.4047 109.6765 59.9807 37.9213 175.7751 36 G 3.8324 7.8008 108.4129 46.7492 0.0000 173.4463 37 I 4.6599 7.5089 111.2887 57.9773 40.7616 175.0903 38 K 4.2392 8.2094 119.7371 55.9776 32.8692 178.3939 39 Q 3.9810 8.7073 122.1363 59.1910 28.9496 178.5583 40 A 4.0401 8.0079 121.5468 55.3429 18.3592 179.3687 41 T 3.8533 7.6129 114.2845 67.0294 68.5583 176.7371 42 I 3.8207 7.7968 120.9992 64.5325 37.2630 178.2597 43 S 4.1374 8.1914 113.9408 61.2793 62.0433 175.7379 44 N 4.2908 8.7590 120.1682 56.6635 38.5443 176.3795 45 F 4.3110 8.3459 121.0327 61.7519 39.5157 176.7673 46 E 3.7759 8.3581 116.6766 58.5720 29.2966 178.1011 47 N 4.7660 7.9345 114.4172 53.2487 40.6946 174.9349 48 N 5.0570 9.0147 118.6024 51.1724 39.3654 173.8502 49 P 4.0699 0.0000 0.0000 64.8563 32.1108 177.9440 50 D 4.4555 7.3877 118.7413 57.5331 41.3056 177.7987 51 N 4.8093 7.8294 115.4973 52.7817 37.4597 175.1401 52 T 4.7387 7.2146 115.4385 61.6335 72.1402 175.0690 53 T 4.1043 8.2581 121.5060 63.5381 70.6301 175.9132 54 L 4.3630 8.5176 123.5848 58.0947 41.8955 179.8184 55 T 3.9855 8.0094 109.4058 65.1672 68.5872 176.1479 56 T 3.7684 8.0180 118.2047 66.4044 68.5388 175.6670 57 F 3.8009 8.1935 122.1164 61.7009 39.2352 177.3802 58 F 3.4023 8.6651 117.2668 59.8688 38.6283 177.9911 59 K 3.8942 8.4817 118.7687 59.5830 31.7423 179.4798 60 I 3.6103 7.7090 120.1695 64.0313 36.8805 178.2874 61 L 3.7845 7.3690 121.3766 58.1001 41.8022 179.1120 62 Q 3.9596 8.1438 118.6450 58.7608 28.4606 178.6093 63 S 4.0434 7.9460 114.0020 60.3349 63.0841 175.4004 64 L 4.2986 7.1409 121.0225 53.3836 41.9822 175.8481 65 E 3.7373 8.0176 117.4002 57.7608 27.4269 173.6120 66 L 4.8492 7.6087 116.5279 53.2840 45.2950 175.3442 67 S 4.5807 8.0891 112.8760 57.7541 65.1616 171.9964 68 M 4.9892 8.2850 119.4048 53.7394 34.0402 174.4641 69 T 4.6620 8.0111 111.8246 60.7358 70.4363 173.0926 70 L 4.4701 8.2023 127.1660 54.3163 43.0043 175.1948 71 C 4.6700 7.6970 113.4240 57.8998 31.5383 173.1709 72 D 4.5724 8.5686 119.7142 54.2504 41.0880 176.2418 73 A 4.5576 8.5086 123.0686 51.4536 19.1730 177.7535 74 K 4.2336 8.0403 123.1562 58.0631 32.1773 175.5732 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 4 F 8.32 5.02 0.00 2.87 3.13 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 0.00 5 Q 6.81 3.85 0.00 1.76 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.82 0.00 0.00 0.00 0.00 0.00 1.88 1.16 0.00 6 K 9.26 4.14 0.00 1.79 1.38 0.00 1.81 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.46 7.81 7 I 7.71 4.99 1.78 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.62 0.89 0.00 0.00 8 Y 8.60 4.68 0.00 2.85 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.51 4.65 0.00 3.99 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.16 0.00 2.32 2.23 0.00 3.57 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.13 0.00 11 T 7.75 3.75 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 1.16 0.00 0.00 12 Q 7.99 3.96 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 13 L 7.86 3.89 0.00 2.00 1.71 0.45 1.27 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 14 A 8.05 3.70 0.79 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 0.00 0.00 0.00 15 N 8.21 4.21 0.00 2.89 2.86 0.00 0.00 6.91 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.93 4.01 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.62 4.16 0.00 2.33 2.47 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.74 0.00 18 K 8.83 4.22 0.00 1.84 2.03 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.47 1.81 7.81 19 L 7.95 3.91 0.00 2.03 1.78 0.95 0.68 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 20 V 7.87 3.60 2.36 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 1.06 0.00 0.00 1.07 0.00 0.00 21 R 8.16 4.15 0.00 2.16 2.20 0.00 3.30 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.02 0.00 22 Q 8.14 3.97 0.00 2.31 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.57 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 23 Q 8.41 4.02 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.86 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 24 N 7.26 4.23 0.00 1.44 1.42 0.00 0.00 7.00 7.49 0.00 0.00 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 G 7.28 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.70 5.73 0.00 3.54 2.97 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 27 T 8.35 4.75 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 1.28 0.00 0.00 28 Q 8.51 4.12 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.96 0.00 0.00 0.00 0.00 0.00 2.53 2.44 0.00 29 S 8.26 4.09 0.00 3.89 3.91 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 30 E 8.13 3.98 0.00 2.17 2.22 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 2.36 2.48 0.00 31 L 7.69 3.79 0.00 1.71 1.66 1.02 0.50 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 32 A 7.98 4.00 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 33 K 8.11 3.91 0.00 1.93 1.84 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.65 7.81 34 K 7.57 3.91 0.00 1.78 1.77 0.00 1.48 0.00 0.00 1.50 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.53 7.81 35 I 7.40 4.25 1.80 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.64 0.86 0.00 0.00 36 G 7.80 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 I 7.51 4.66 1.86 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 1.26 0.76 0.89 0.00 0.00 38 K 8.21 4.24 0.00 1.86 1.77 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.43 7.81 39 Q 8.71 3.98 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 40 A 8.01 4.04 1.35 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 0.00 0.00 0.00 41 T 7.61 3.85 4.40 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 1.25 0.00 0.00 42 I 7.80 3.82 2.07 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 1.55 1.07 1.03 0.00 0.00 43 S 8.19 4.14 0.00 4.13 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 44 N 8.76 4.29 0.00 2.87 3.04 0.00 0.00 6.84 7.73 0.00 0.00 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 F 8.35 4.31 0.00 3.05 3.39 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 46 E 8.36 3.78 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 2.40 2.73 0.00 47 N 7.93 4.77 0.00 2.70 2.83 0.00 0.00 6.78 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 N 9.01 5.06 0.00 2.72 2.69 0.00 0.00 6.58 7.91 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 49 P 0.00 4.07 0.00 2.12 1.88 0.00 3.36 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.73 0.00 50 D 7.39 4.46 0.00 2.53 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 51 N 7.83 4.81 0.00 2.73 2.81 0.00 0.00 6.71 7.54 0.00 0.00 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 T 7.21 4.74 4.54 0.00 0.00 0.00 0.00 0.00 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 53 T 8.26 4.10 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 1.31 0.00 0.00 54 L 8.52 4.36 0.00 1.86 2.07 1.05 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 55 T 8.01 3.99 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 1.21 0.00 0.00 56 T 8.02 3.77 4.47 0.00 0.00 0.00 0.00 0.00 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 57 F 8.19 3.80 0.00 2.99 3.30 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 58 F 8.67 3.40 0.00 2.99 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 59 K 8.48 3.89 0.00 1.84 1.78 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.60 7.81 60 I 7.71 3.61 1.55 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.63 0.79 0.00 0.00 61 L 7.37 3.78 0.00 1.34 1.43 0.59 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 8.14 3.96 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.58 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 63 S 7.95 4.04 0.00 3.83 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 64 L 7.14 4.30 0.00 1.77 1.92 1.09 1.18 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 65 E 8.02 3.74 0.00 2.24 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 2.16 2.06 0.00 66 L 7.61 4.85 0.00 1.78 1.56 1.09 0.85 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 67 S 8.09 4.58 0.00 3.79 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.29 4.99 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.54 0.00 69 T 8.01 4.66 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 1.26 0.00 0.00 70 L 8.20 4.47 0.00 1.70 1.59 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 71 C 7.70 4.67 0.00 3.02 2.87 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 72 D 8.57 4.57 0.00 2.71 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 73 A 8.51 4.56 1.50 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 0.00 0.00 74 K 8.04 4.23 0.00 1.97 1.84 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.45 7.81