NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.7186 8.2827 118.2191 52.2408 39.0685 174.7399 2 E 3.6302 8.7127 118.5868 58.7104 30.0315 177.6376 3 C 4.3310 8.6660 119.1324 60.0173 43.3625 175.4839 4 V 3.9175 8.4251 120.1711 65.6041 30.8351 178.2169 5 S 4.1812 8.2002 114.1968 60.8908 62.7315 175.9025 6 K 4.1613 7.6966 119.2889 56.4212 32.0315 177.5268 7 G 3.7899 7.5858 108.1567 44.8272 0.0000 173.5598 8 F 5.3066 7.8210 119.8910 56.5765 42.6699 174.3424 9 G 4.2503 8.3205 104.0130 46.3309 0.0000 172.1578 10 C 5.2379 8.7578 118.9187 56.5786 36.7432 173.2687 11 L 4.9858 8.8418 121.7743 52.1309 46.2818 174.0924 12 P 4.2979 0.0000 0.0000 63.1295 32.2640 177.4095 13 Q 3.9679 9.0342 122.0925 59.2419 28.8222 179.2959 14 S 4.2684 8.0505 110.4381 60.2861 63.2533 174.2620 15 D 4.6880 8.0689 119.6914 54.0666 41.0529 175.4802 16 C 4.7622 7.7896 118.8786 53.6398 46.0762 171.7826 17 P 4.4986 0.0000 0.0000 62.1424 32.0620 177.4026 18 Q 3.9494 8.8787 121.8875 59.4061 28.9057 179.0567 19 E 3.9605 8.1617 113.7846 58.3475 30.0598 177.0637 20 A 4.4531 7.9272 121.2523 51.8723 19.6995 176.9888 21 R 4.4445 7.4500 115.4046 55.7817 30.7582 176.0007 22 L 4.5688 8.2178 120.8996 52.8823 44.8161 176.9953 23 S 4.3607 7.7517 113.5306 58.7848 63.6664 174.3243 24 Y 4.6243 7.1869 119.2136 58.3077 38.4414 175.5945 25 G 4.0178 8.8953 112.2352 44.6798 0.0000 174.2911 26 G 4.0687 8.7146 106.5355 45.6311 0.0000 175.1312 27 C 4.6540 8.0632 117.2982 56.2554 41.2136 173.4939 28 S 4.6056 8.6172 117.1826 58.5603 64.8945 173.8925 29 T 4.4178 8.1437 110.9978 61.7844 69.6267 177.0886 30 V 4.5700 5.4641 116.8389 59.7933 35.8783 174.1767 31 C 4.9220 8.8497 123.2208 56.9121 44.3511 172.5345 32 C 5.3356 9.2845 125.7135 54.8341 47.4007 172.8781 33 D 4.7045 9.2484 125.9973 53.1117 39.5336 176.6929 34 L 4.2027 8.5118 127.1197 56.9200 42.0534 179.8188 35 S 4.2419 7.9794 112.5219 60.4298 62.9294 175.0893 36 K 4.4077 7.9283 118.8348 56.0740 32.2452 176.4779 37 L 4.3842 7.4821 120.0180 54.3047 42.3736 176.1703 38 T 4.5538 8.2717 110.9346 60.3420 71.6408 173.6842 39 G 3.8756 8.5109 108.0552 44.7928 0.0000 173.8492 40 C 4.2460 8.5125 117.3195 59.5044 40.8425 175.6308 41 K 4.2472 7.6348 119.8160 58.7741 31.9900 179.0210 42 G 3.6646 8.1019 106.5232 47.8995 0.0000 173.9658 43 K 4.3278 7.7599 117.3821 56.1353 32.0202 177.1241 44 G 3.8248 8.2027 106.3970 45.7493 0.0000 173.9556 45 G 4.0846 7.9851 107.6125 44.3771 0.0000 172.6148 46 E 4.9588 9.1111 120.0105 54.2718 33.1401 173.8968 47 C 4.9860 8.9777 124.5443 57.3057 38.9949 172.6750 48 N 5.4221 9.2872 120.5383 50.4021 43.1996 172.2762 49 P 5.0501 0.0000 0.0000 62.3693 32.1165 177.4481 50 L 4.0282 8.6615 121.3393 57.8520 41.6857 178.0728 51 D 4.5487 7.9493 115.3307 53.7949 39.9505 176.0817 52 R 4.1162 7.7860 122.0781 55.6956 30.4679 175.5768 53 Q 4.1188 8.7471 127.4431 56.2682 29.4458 173.7087 54 C 4.5771 8.1885 118.2102 54.2189 45.5286 173.4214 55 K 4.1643 7.9004 121.6361 55.4208 32.0158 174.9348 56 E 4.4009 8.4914 129.0020 56.0563 30.7751 176.8792 57 L 4.3813 8.9881 130.5092 53.9155 40.9246 177.6979 58 Q 4.1414 8.4918 125.6195 60.0322 28.0607 177.3922 59 A 4.2911 8.0155 120.4265 54.2246 18.6257 178.2618 60 E 4.4799 8.0669 115.2411 56.5532 30.2927 178.1230 61 S 4.1724 7.8817 116.1566 61.3930 62.8673 176.1758 62 A 4.0541 8.0334 123.4416 55.0513 17.9050 179.4859 63 S 4.1959 7.6739 111.8209 61.2387 63.0879 175.4524 64 C 4.4695 8.0416 119.1647 58.5424 35.1782 174.6985 65 G 3.6810 8.1384 109.6622 44.1034 0.0000 172.1217 66 K 3.9771 8.4739 120.1289 57.7385 32.5385 178.0145 67 G 3.9769 9.0492 113.1042 45.8104 0.0000 172.3165 68 Q 5.1649 7.7653 117.0902 53.8258 32.6405 174.6279 69 K 4.6753 9.0893 119.6714 55.4322 37.1465 174.2397 70 C 4.9146 9.0638 122.0176 55.9845 41.3888 171.4860 71 C 5.1313 8.8943 124.3286 55.0117 42.6470 173.0507 72 V 4.4091 7.8217 123.0708 60.8112 32.7255 174.9901 73 W 4.7833 8.5471 128.3139 55.8301 30.1567 176.4382 74 L 4.3576 8.7356 122.0788 54.9232 41.3304 176.3302 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 N 8.28 4.72 0.00 3.13 3.06 0.00 0.00 5.75 6.77 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 2 E 8.71 3.63 0.00 2.12 2.28 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 2.24 2.27 0.00 3 C 8.67 4.33 0.00 3.24 3.38 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 4 V 8.43 3.92 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 1.25 0.00 0.00 0.98 0.00 0.00 5 S 8.20 4.18 0.00 3.90 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 K 7.70 4.16 0.00 1.81 1.73 0.00 0.95 0.00 0.00 1.48 0.00 0.00 2.80 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.17 0.87 7.81 7 G 7.59 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 0.00 0.00 0.00 0.00 8 F 7.82 5.31 0.00 3.35 3.26 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 9 G 8.32 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 0.00 0.00 0.00 0.00 10 C 8.76 5.24 0.00 2.91 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 11 L 8.84 4.99 0.00 1.56 1.50 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.30 0.00 2.08 2.00 0.00 3.63 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.15 0.00 13 Q 9.03 3.97 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.92 0.00 0.00 0.00 0.00 0.00 2.45 1.94 0.00 14 S 8.05 4.27 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.07 4.69 0.00 2.80 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 16 C 7.79 4.76 0.00 2.91 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 17 P 0.00 4.50 0.00 2.41 1.95 0.00 3.67 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 18 Q 8.88 3.95 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 19 E 8.16 3.96 0.00 2.09 2.05 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 2.26 2.24 0.00 20 A 7.93 4.45 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 21 R 7.45 4.44 0.00 1.95 1.80 0.00 3.07 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 22 L 8.22 4.57 0.00 1.32 0.90 -0.04 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 23 S 7.75 4.36 0.00 3.86 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 0.00 24 Y 7.19 4.62 0.00 3.04 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 25 G 8.90 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.71 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 0.00 0.00 0.00 27 C 8.06 4.65 0.00 3.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.62 4.61 0.00 3.98 3.97 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 29 T 8.14 4.42 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 30 V 5.46 4.57 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 0.75 0.00 0.00 0.90 0.00 0.00 31 C 8.85 4.92 0.00 3.24 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.28 5.34 0.00 2.99 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 D 9.25 4.70 0.00 2.41 2.57 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 34 L 8.51 4.20 0.00 1.88 1.76 1.10 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.98 4.24 0.00 4.03 4.10 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 4.41 0.00 1.90 1.88 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.54 7.81 37 L 7.48 4.38 0.00 1.71 1.60 0.94 1.14 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 38 T 8.27 4.55 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 39 G 8.51 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.51 4.25 0.00 3.00 3.08 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 41 K 7.63 4.25 0.00 1.84 1.81 0.00 1.84 0.00 0.00 1.93 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.43 7.81 42 G 8.10 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 43 K 7.76 4.33 0.00 1.75 1.81 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.61 1.50 7.81 44 G 8.20 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 45 G 7.99 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 46 E 9.11 4.96 0.00 2.13 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 2.32 2.38 0.00 47 C 8.98 4.99 0.00 2.93 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 48 N 9.29 5.42 0.00 2.64 2.75 0.00 0.00 6.39 8.65 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 49 P 0.00 5.05 0.00 2.32 2.20 0.00 3.94 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 2.12 1.88 0.00 50 L 8.66 4.03 0.00 1.67 1.78 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 51 D 7.95 4.55 0.00 2.80 2.79 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 52 R 7.79 4.12 0.00 1.89 2.11 0.00 3.42 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.89 0.00 53 Q 8.75 4.12 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.50 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 54 C 8.19 4.58 0.00 2.27 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 55 K 7.90 4.16 0.00 1.77 1.73 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.77 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.37 7.81 56 E 8.49 4.40 0.00 1.94 1.76 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 2.32 2.42 0.00 57 L 8.99 4.38 0.00 1.52 1.55 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 8.49 4.14 0.00 2.05 2.12 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 2.37 2.00 0.00 59 A 8.02 4.29 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 60 E 8.07 4.48 0.00 1.96 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 0.00 2.22 2.44 0.00 61 S 7.88 4.17 0.00 3.99 3.89 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 62 A 8.03 4.05 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 63 S 7.67 4.20 0.00 3.99 4.01 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 0.00 0.00 0.00 0.00 64 C 8.04 4.47 0.00 3.17 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 65 G 8.14 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.47 3.98 0.00 1.73 1.74 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.44 7.81 67 G 9.05 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 0.00 0.00 0.00 68 Q 7.77 5.16 0.00 2.12 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.66 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 69 K 9.09 4.68 0.00 1.83 1.82 0.00 1.26 0.00 0.00 1.56 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.33 7.81 70 C 9.06 4.91 0.00 3.11 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 71 C 8.89 5.13 0.00 2.55 1.80 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 72 V 7.82 4.41 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 0.73 0.00 0.00 0.83 0.00 0.00 73 W 8.55 4.78 0.00 3.36 3.08 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 74 L 8.74 4.36 0.00 1.69 1.60 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00