NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3667 8.1744 110.9435 61.1908 70.5843 173.4952 6 N 4.8428 7.8764 120.5023 53.0579 39.4678 173.1449 7 S 4.4951 8.8447 113.0217 57.5226 65.0686 173.4363 8 D 4.7102 8.6787 122.1407 55.2768 41.8445 175.6828 9 F 5.2834 7.9006 114.1960 55.4736 41.6611 173.7987 10 V 4.6303 8.9872 111.9028 59.5284 35.7338 174.8707 11 V 4.8101 8.5842 122.9573 61.3020 33.9963 174.4574 12 I 4.8934 8.9390 128.3597 59.4266 40.7306 174.0744 13 K 4.9885 9.2296 129.2660 54.2747 34.2367 175.1232 14 A 4.4388 8.7467 130.5263 52.2386 19.1462 177.4002 15 L 4.7976 8.7937 121.9533 54.5852 42.6431 175.7522 16 E 4.7449 7.7219 115.7163 54.9341 32.4865 174.5194 17 D 4.3958 8.6430 120.0064 55.0797 41.7003 176.6531 18 G 3.8481 8.4224 107.3325 46.3622 0.0000 174.1949 19 V 3.9439 7.6365 119.8458 62.7210 32.9326 174.5044 20 N 5.3382 9.1060 124.3373 51.4300 41.7730 173.3831 21 V 4.5577 8.7110 124.2858 61.2594 33.8415 174.2316 22 I 4.5642 8.5201 129.3755 59.2803 39.9404 174.8999 23 G 4.1512 8.7951 115.4331 45.3371 0.0000 172.3891 24 L 5.5001 8.9913 126.2471 53.0858 43.9281 176.3512 25 T 4.5483 8.7366 114.4877 61.9397 69.1579 174.2538 26 R 4.3501 7.8157 125.7388 56.9634 31.0044 174.8505 27 G 3.7526 8.7775 108.3701 44.1292 0.0000 173.1527 28 A 4.0516 8.6727 121.0320 54.4905 18.6341 177.7197 29 D 4.7455 7.8538 114.3152 53.3869 42.4342 176.0504 30 T 4.6959 8.3181 122.6537 61.5696 69.6803 172.8686 31 R 4.7443 9.0670 122.8170 53.7710 33.7754 174.4222 32 F 5.3190 8.6557 118.1350 57.7046 39.1744 175.5678 33 H 4.9931 8.7267 117.5828 56.3306 30.5948 173.8743 34 H 4.7373 7.5578 116.9057 55.0698 33.2760 172.1848 35 S 4.7000 8.1059 118.9288 56.3883 64.7960 172.5376 36 E 4.3496 9.0327 130.0758 54.9197 30.7026 174.7900 37 K 4.6736 8.6190 129.2596 55.8568 33.3465 175.5131 38 L 4.9285 9.1958 128.2303 53.2364 44.1880 176.0994 39 D 4.9475 9.2171 123.8484 52.4866 43.1992 175.9427 40 K 4.0466 8.9183 121.8285 58.6992 32.3070 176.6785 41 G 4.0644 9.3968 115.7409 45.2356 0.0000 173.6440 42 E 4.1585 8.0775 119.5825 56.5054 30.6078 176.1866 43 V 4.8970 8.3256 122.6713 61.0095 34.1813 174.3073 44 L 4.7735 8.9759 129.0596 53.2408 45.1882 174.8566 45 I 4.9689 8.4491 126.2167 59.5622 39.2479 174.7675 46 A 4.6767 8.9097 128.8693 50.1657 22.1247 175.1661 47 Q 4.8027 8.6073 120.7298 54.8307 30.4656 175.8541 48 F 4.7466 8.3721 120.5398 58.1589 39.8746 174.9244 49 T 4.6540 8.8001 111.0880 60.2790 71.8865 173.0737 50 E 3.9848 8.9336 121.5663 59.5594 29.5213 177.3804 51 H 4.5773 8.1187 113.8319 56.5467 29.7888 174.2533 52 T 5.2072 8.1742 116.7231 61.9257 71.1633 174.4226 53 S 4.8965 9.0321 119.8153 57.9956 64.9383 173.4824 54 A 5.0364 7.9266 121.7283 50.8617 22.7180 175.0493 55 I 5.0395 8.5908 120.6658 59.3453 40.6134 174.7400 56 K 4.6078 8.8466 127.8216 54.5098 34.8984 174.5842 57 V 4.7377 8.4019 126.5735 61.2341 33.4360 174.6296 58 R 4.5734 9.0155 126.9047 55.5735 32.8707 176.2365 59 G 4.1476 8.9840 108.8984 44.1697 0.0000 172.6654 60 K 4.5161 9.4225 121.0230 56.1984 33.0443 175.6465 61 A 5.0947 8.8799 128.1171 50.8821 23.5120 173.6921 62 Y 5.0040 9.1515 121.7957 56.0494 41.1431 174.5519 63 I 4.9189 8.3190 127.4039 59.4812 40.7737 174.3779 64 Q 5.0123 8.8600 125.6902 54.3631 32.0302 174.9282 65 T 4.9475 8.7105 112.9124 59.7882 72.4297 174.5236 66 R 3.7822 8.5811 120.3265 59.1189 29.9778 176.5778 67 H 4.7696 9.0662 112.7663 55.1973 29.6806 174.8764 68 G 3.7112 6.5171 106.6964 44.2678 0.0000 172.9759 69 V 4.7783 7.4832 112.9934 59.9145 35.0496 175.0254 70 I 4.2412 7.6009 119.3280 60.4790 41.9793 172.5620 71 E 5.3173 8.7978 126.3991 54.5099 32.1939 176.0286 72 S 4.5897 8.8149 118.8697 58.0231 64.9757 172.8752 73 E 4.9115 8.7398 120.0788 54.5631 32.6498 176.4213 74 G 3.7307 8.5624 109.9925 45.7830 0.0000 173.6503 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 5 T 8.17 4.37 4.25 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 1.22 0.00 0.00 6 N 7.88 4.84 0.00 2.76 2.83 0.00 0.00 7.13 6.75 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 7 S 8.84 4.50 0.00 4.11 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 8 D 8.68 4.71 0.00 2.79 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 9 F 7.90 5.28 0.00 2.88 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 10 V 8.99 4.63 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.81 0.00 0.00 11 V 8.58 4.81 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 1.15 0.00 0.00 1.15 0.00 0.00 12 I 8.94 4.89 1.86 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 1.08 0.53 0.90 0.00 0.00 13 K 9.23 4.99 0.00 1.88 1.83 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.40 7.81 14 A 8.75 4.44 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 15 L 8.79 4.80 0.00 1.65 1.71 0.97 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.72 4.74 0.00 1.92 1.89 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 2.35 2.34 0.00 17 D 8.64 4.40 0.00 2.58 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.42 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 19 V 7.64 3.94 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 0.96 0.00 0.00 0.99 0.00 0.00 20 N 9.11 5.34 0.00 2.58 2.57 0.00 0.00 6.38 8.03 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 21 V 8.71 4.56 2.03 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 0.97 0.00 0.00 0.90 0.00 0.00 22 I 8.52 4.56 1.52 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.50 -0.60 0.00 0.00 23 G 8.80 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 24 L 8.99 5.50 0.00 1.85 1.71 0.99 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.74 4.55 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 26 R 7.82 4.35 0.00 1.90 1.98 0.00 3.20 0.00 0.00 3.07 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.43 0.00 27 G 8.78 3.75 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 0.00 0.00 0.00 28 A 8.67 4.05 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.85 4.75 0.00 2.64 2.58 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 30 T 8.32 4.70 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 1.27 0.00 0.00 31 R 9.07 4.74 0.00 1.82 2.00 0.00 2.79 0.00 0.00 3.48 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 32 F 8.66 5.32 0.00 2.90 2.89 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 33 H 8.73 4.99 0.00 3.16 3.49 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.56 4.74 0.00 3.32 3.12 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.11 4.70 0.00 3.68 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.03 4.35 0.00 2.17 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 2.26 2.29 0.00 37 K 8.62 4.67 0.00 1.78 1.68 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.45 7.81 38 L 9.20 4.93 0.00 1.57 1.54 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.22 4.95 0.00 2.58 2.58 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 40 K 8.92 4.05 0.00 1.79 1.75 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.53 7.81 41 G 9.40 4.06 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 0.00 0.00 0.00 42 E 8.08 4.16 0.00 2.04 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 2.33 2.37 0.00 43 V 8.33 4.90 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 0.79 0.00 0.00 0.96 0.00 0.00 44 L 8.98 4.77 0.00 1.73 1.43 0.89 0.95 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 45 I 8.45 4.97 1.69 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 1.21 0.61 0.50 0.00 0.00 46 A 8.91 4.68 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 0.00 0.00 0.00 0.00 0.00 47 Q 8.61 4.80 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.95 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 48 F 8.37 4.75 0.00 3.03 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 49 T 8.80 4.65 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 1.30 0.00 0.00 50 E 8.93 3.98 0.00 1.91 1.93 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 2.03 2.27 0.00 51 H 8.12 4.58 0.00 3.23 3.19 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.17 5.21 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 1.40 0.00 0.00 53 S 9.03 4.90 0.00 3.78 4.05 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 54 A 7.93 5.04 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 55 I 8.59 5.04 1.91 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.87 0.86 0.00 0.00 56 K 8.85 4.61 0.00 1.84 1.55 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.37 7.81 57 V 8.40 4.74 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 0.85 0.00 0.00 0.90 0.00 0.00 58 R 9.02 4.57 0.00 1.76 1.79 0.00 3.17 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 59 G 8.98 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 60 K 9.42 4.52 0.00 1.93 1.72 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 A 8.88 5.09 1.26 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 0.00 0.00 0.00 62 Y 9.15 5.00 0.00 3.02 2.83 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 63 I 8.32 4.92 1.84 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 1.17 1.05 0.88 0.00 0.00 64 Q 8.86 5.01 0.00 1.90 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.53 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 65 T 8.71 4.95 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 66 R 8.58 3.78 0.00 1.57 1.69 0.00 3.27 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 67 H 9.07 4.77 0.00 3.18 3.26 0.00 5.70 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 68 G 6.52 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.48 4.78 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 0.71 0.00 0.00 1.00 0.00 0.00 70 I 7.60 4.24 1.84 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 1.22 1.34 0.85 0.00 0.00 71 E 8.80 5.32 0.00 1.91 1.87 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 2.41 2.45 0.00 72 S 8.81 4.59 0.00 3.96 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 73 E 8.74 4.91 0.00 1.84 1.87 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 2.21 2.28 0.00 74 G 8.56 3.73 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 0.00 0.00 0.00