NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2200 8.1701 117.3740 63.1837 69.8365 173.4528 3 A 4.1040 8.3840 127.8864 51.5589 19.2479 175.0223 4 L 4.6403 8.4623 120.8773 52.9597 44.5831 175.1514 5 A 4.2953 8.2193 125.1757 50.7192 19.7098 177.1246 6 K 3.8976 8.4859 122.2753 56.0528 32.1075 175.1883 7 P 4.5990 0.0000 0.0000 61.3250 32.7307 175.3329 8 Q 4.1150 8.3844 120.0768 56.3865 29.2212 175.2762 9 M 4.6487 8.6347 122.8239 54.8921 34.1404 175.6649 10 R 4.6010 7.8593 117.1697 55.0676 32.9445 175.3783 11 G 4.0827 8.5820 106.5657 46.5372 0.0000 175.9319 12 L 3.9875 7.9115 120.4432 57.1838 41.7852 178.6189 13 L 3.9330 7.8563 119.6787 58.1748 42.1433 178.7195 14 A 3.9977 7.9521 120.2854 55.1452 18.3433 179.4158 15 R 3.8439 8.2293 117.3757 59.4579 30.1220 178.7886 16 R 3.9682 8.1435 118.6767 59.2329 30.0630 178.2643 17 L 4.0010 8.1969 120.2710 58.2169 42.2513 179.0630 18 R 3.9196 8.2415 118.1672 59.3232 30.1810 178.7735 19 F 4.1364 8.2406 120.2952 61.7842 39.4103 176.8484 20 H 4.2420 8.3897 115.5501 58.3927 28.5662 177.9159 21 I 3.7689 8.0040 122.1988 64.2222 36.9143 178.5257 22 V 3.6656 7.7305 119.0265 65.9267 31.3626 178.3664 23 G 3.4409 7.7861 104.8795 47.6326 0.0000 175.5630 24 A 4.0427 8.1657 123.1133 54.7857 18.3609 179.5864 25 F 4.0916 8.2575 119.2614 61.6904 39.5257 177.3085 26 M 3.9963 8.1973 118.4124 58.4832 31.7579 178.9695 27 V 3.6163 7.8536 118.3027 66.0168 31.6638 178.3072 28 S 4.1881 7.9941 115.0124 61.5014 62.5934 176.6337 29 L 3.9721 7.7901 121.8485 57.6404 41.2950 179.8598 30 G 3.5789 8.1749 105.7415 47.7201 0.0000 175.6371 31 F 4.2880 8.8335 123.4354 60.7863 39.3831 176.9657 32 A 3.9146 8.6096 120.8186 55.6879 17.9999 179.6555 33 T 3.8299 7.8303 112.6921 66.7505 68.7400 176.3276 34 F 4.3367 8.3047 122.4735 61.4234 39.4798 176.6043 35 Y 3.4210 8.1806 119.4981 60.1554 38.5475 178.2289 36 K 4.6563 8.2911 119.0164 55.7215 32.6263 177.0606 37 F 4.8388 7.4931 120.5683 59.5732 46.6631 175.3532 38 A 3.5308 7.7048 121.2816 53.1579 18.8432 177.2541 39 V 3.7875 7.3089 113.1383 63.8269 33.1833 177.2326 40 A 3.9065 7.3510 120.8655 55.2454 18.2046 179.1521 41 E 3.8693 7.9180 115.6352 59.1326 29.5690 179.4375 42 K 3.6926 7.2397 119.5878 59.4428 32.2318 178.7589 43 R 3.9279 7.8080 118.7871 59.4180 29.9601 178.5835 44 K 3.9875 7.9863 118.2611 59.3466 31.9792 179.2777 45 K 3.9151 8.3925 119.9243 59.3540 32.0863 178.4739 46 A 3.9708 8.2386 121.3423 55.6412 18.3020 179.3321 47 Y 3.7319 8.1809 114.7674 60.9922 37.8344 178.4121 48 A 4.1709 8.4475 121.9276 55.3198 18.2945 179.4568 49 D 4.3020 8.6395 116.9598 57.3856 40.9961 178.4205 50 F 3.9936 8.0644 119.8702 61.5428 39.3539 176.3527 51 Y 4.5371 8.2142 114.4636 59.0071 37.6485 177.4807 52 R 4.0945 7.6592 120.1932 58.9076 30.2896 177.6368 53 N 5.0474 7.7606 113.3648 52.7888 39.9663 173.8880 54 Y 3.9872 7.7066 119.6593 57.4751 39.5313 174.0287 55 D 4.6506 7.7214 126.0449 52.1547 42.7590 176.5199 56 S 3.9276 7.7973 124.9445 60.8721 63.1883 176.2134 57 M 4.1184 7.9217 121.9338 58.1264 31.8475 178.3838 58 K 4.0093 8.7659 120.2854 59.4016 32.3947 178.3636 59 D 4.3425 8.1769 118.4454 57.3487 41.1242 178.0301 60 F 4.3717 8.6084 121.4375 61.2455 39.3172 176.5775 61 E 3.6593 8.8085 119.3791 59.3520 29.5185 178.7280 62 E 3.8982 8.1580 118.5142 59.6934 29.4023 179.3069 63 M 3.9257 7.9182 118.6145 58.1082 31.8631 178.8680 64 R 3.8617 7.9227 119.2253 59.4026 30.0528 178.7523 65 K 3.8742 7.9660 117.0420 59.2076 32.0988 178.5656 66 A 4.1931 7.5997 118.8842 52.2772 18.4639 177.7494 67 G 3.7823 7.9632 105.7033 46.3204 0.0000 175.2368 68 I 3.7783 7.0992 114.8816 62.2234 38.0865 176.2746 69 F 4.9014 7.4654 119.3823 56.9208 39.8045 175.2261 70 Q 4.2926 8.9370 124.9005 57.7431 29.4070 176.5983 71 S 4.4616 8.1625 109.8094 58.2090 64.0394 173.5738 72 A 4.5974 7.9603 122.8267 50.5197 20.4155 175.8137 73 K 4.2527 8.7289 120.3937 57.3581 32.3523 177.0930 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 T 8.17 4.22 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 3 A 8.38 4.10 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 4 L 8.46 4.64 0.00 1.62 1.58 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.22 4.30 1.23 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 0.00 0.00 6 K 8.49 3.90 0.00 1.72 1.76 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.43 7.81 7 P 0.00 4.60 0.00 2.20 2.04 0.00 3.81 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 8 Q 8.38 4.12 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 9 M 8.63 4.65 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.50 0.00 10 R 7.86 4.60 0.00 1.77 1.82 0.00 3.35 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 11 G 8.58 4.08 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 0.00 0.00 0.00 12 L 7.91 3.99 0.00 1.70 1.72 0.91 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.86 3.93 0.00 1.76 1.66 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.95 4.00 1.33 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 15 R 8.23 3.84 0.00 2.00 2.12 0.00 3.08 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 16 R 8.14 3.97 0.00 2.05 2.15 0.00 3.19 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 1.77 1.79 0.00 17 L 8.20 4.00 0.00 1.83 1.84 0.94 0.87 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 18 R 8.24 3.92 0.00 2.08 2.02 0.00 3.19 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 19 F 8.24 4.14 0.00 3.03 3.15 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 20 H 8.39 4.24 0.00 3.44 3.35 0.00 5.87 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 21 I 8.00 3.77 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.16 0.91 0.00 0.00 22 V 7.73 3.67 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 0.95 0.00 0.00 0.89 0.00 0.00 23 G 7.79 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 0.00 0.00 0.00 24 A 8.17 4.04 1.40 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 0.00 0.00 25 F 8.26 4.09 0.00 3.15 3.24 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 0.00 26 M 8.20 4.00 0.00 2.09 2.23 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 2.65 3.00 0.00 27 V 7.85 3.62 2.18 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 1.01 0.00 0.00 0.96 0.00 0.00 28 S 7.99 4.19 0.00 3.91 3.84 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 29 L 7.79 3.97 0.00 1.66 1.56 0.35 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.17 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.83 4.29 0.00 3.09 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 32 A 8.61 3.91 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 33 T 7.83 3.83 4.46 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 1.18 0.00 0.00 34 F 8.30 4.34 0.00 3.13 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 35 Y 8.18 3.42 0.00 2.47 2.73 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 0.00 0.00 0.00 0.00 36 K 8.29 4.66 0.00 1.85 1.85 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.60 7.81 37 F 7.49 4.84 0.00 2.91 3.09 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 0.00 0.00 0.00 0.00 38 A 7.70 3.53 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.31 3.79 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 0.00 0.00 0.64 0.00 0.00 0.25 0.00 0.00 40 A 7.35 3.91 1.31 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 0.00 0.00 0.00 41 E 7.92 3.87 0.00 1.87 1.94 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 2.55 2.36 0.00 42 K 7.24 3.69 0.00 1.59 1.75 0.00 1.55 0.00 0.00 1.42 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.24 7.81 43 R 7.81 3.93 0.00 2.07 2.06 0.00 3.25 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.78 0.00 44 K 7.99 3.99 0.00 2.01 1.86 0.00 1.86 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.43 7.81 45 K 8.39 3.92 0.00 1.88 1.89 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.64 1.46 7.81 46 A 8.24 3.97 1.31 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 0.00 0.00 0.00 47 Y 8.18 3.73 0.00 3.17 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 48 A 8.45 4.17 1.46 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 49 D 8.64 4.30 0.00 2.84 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.06 3.99 0.00 2.81 2.78 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 0.00 0.00 0.00 0.00 51 Y 8.21 4.54 0.00 3.30 3.06 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 0.00 0.00 0.00 52 R 7.66 4.09 0.00 1.99 2.00 0.00 3.22 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 53 N 7.76 5.05 0.00 2.68 2.73 0.00 0.00 6.84 7.46 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 54 Y 7.71 3.99 0.00 3.00 2.98 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 0.00 0.00 0.00 55 D 7.72 4.65 0.00 2.56 2.31 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 0.00 56 S 7.80 3.93 0.00 4.18 4.23 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 57 M 7.92 4.12 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.52 0.00 58 K 8.77 4.01 0.00 1.87 1.86 0.00 1.59 0.00 0.00 1.51 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.42 7.81 59 D 8.18 4.34 0.00 2.95 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 60 F 8.61 4.37 0.00 3.19 3.34 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 61 E 8.81 3.66 0.00 2.28 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 2.33 2.38 0.00 62 E 8.16 3.90 0.00 2.21 1.95 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 2.30 2.54 0.00 63 M 7.92 3.93 0.00 1.66 2.31 0.00 0.00 0.00 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.49 0.00 64 R 7.92 3.86 0.00 1.21 1.73 0.00 3.35 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.91 0.00 65 K 7.97 3.87 0.00 1.82 1.81 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.47 7.81 66 A 7.60 4.19 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 67 G 7.96 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 7.10 3.78 1.56 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 -0.36 0.72 0.00 0.00 69 F 7.47 4.90 0.00 3.40 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.94 4.29 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.89 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 71 S 8.16 4.46 0.00 4.01 3.98 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 0.00 0.00 0.00 72 A 7.96 4.60 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.73 4.25 0.00 1.79 1.75 0.00 1.97 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.40 7.81