NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4630 8.3349 116.7967 58.0528 63.1501 172.3529 2 R 4.0840 8.1132 124.0787 55.3040 28.0228 169.9331 3 V 4.5099 7.6587 118.8261 60.8257 35.8724 174.4728 4 C 4.3906 8.7410 127.6024 58.3044 30.3904 173.6483 5 Q 3.9897 8.3743 127.8607 58.4778 28.7228 179.2789 6 V 4.0005 7.8432 115.9546 62.9825 32.3833 176.8009 7 T 4.2593 7.9200 107.4860 60.5715 69.8159 175.2668 8 G 3.8812 8.4584 110.5754 45.2779 0.0000 173.6410 9 K 4.0296 7.8712 121.0569 56.2795 32.1392 176.6957 10 R 5.0071 8.1994 121.1061 53.5611 32.1841 173.3919 11 P 4.8137 0.0000 0.0000 62.6681 32.4496 176.2348 12 V 4.7486 9.1035 115.2365 59.8119 35.8152 174.4382 13 T 5.4325 7.9576 111.7024 59.5522 70.8985 173.5476 14 G 4.4919 8.5093 110.2685 45.7253 0.0000 171.0260 15 N 5.3418 8.6003 117.6218 51.7002 40.2365 174.8109 16 N 4.5771 8.8586 115.3495 52.9838 40.6680 174.6168 17 R 3.5423 7.7028 116.2712 56.4320 28.2662 176.0654 18 S 4.5975 8.1748 117.3929 57.2779 65.0936 174.7864 19 H 4.0287 8.9753 116.4249 59.3249 28.2472 177.0993 20 A 4.0574 7.9689 117.7365 52.7306 18.3944 176.4854 21 L 3.5723 7.8366 114.8247 55.8158 38.5718 175.1551 22 N 4.8707 8.1879 116.5435 51.3653 40.4615 176.1673 23 A 4.3235 8.6799 126.6271 52.8025 18.8050 176.9356 24 T 4.4268 8.5026 118.6770 61.4548 71.8328 173.5177 25 K 4.0952 8.6282 125.9154 57.6861 33.3026 177.0719 26 R 4.5115 8.5665 117.1723 56.2072 33.1282 172.9763 27 R 5.7093 8.1002 116.5574 54.5256 34.1603 174.7507 28 F 4.7664 9.0863 122.6546 56.3678 40.7333 174.7779 29 L 5.1675 8.3549 122.0998 53.1849 43.6665 174.5863 30 P 4.4098 0.0000 0.0000 62.7077 32.1304 176.8162 31 N 4.6561 8.4543 120.4258 53.2186 37.9170 174.0732 32 L 4.9371 7.9132 123.5553 54.2527 43.2645 175.1363 33 H 4.8593 9.4250 114.5657 55.1282 36.2751 172.6685 34 S 4.3104 8.4666 112.5003 57.9529 61.1549 170.4541 35 H 4.6620 8.1244 124.9247 54.3100 33.1951 172.8301 36 R 4.2448 7.4637 123.4077 55.1237 29.8134 175.1177 37 F 5.0210 8.6898 126.2326 55.8617 41.0861 175.3022 38 W 5.2718 9.2880 133.0750 57.3656 31.1822 175.9127 39 V 3.8171 6.4217 118.3841 61.1242 33.2919 176.8028 40 E 3.7599 5.9000 124.5816 57.4278 28.9592 175.9162 41 S 4.1492 7.7293 110.1598 60.7653 62.3509 174.5357 42 E 4.4112 7.6071 114.7402 56.3118 32.4026 175.9313 43 K 3.7064 7.3921 115.5416 55.4885 29.1790 172.7933 44 R 4.4417 5.8400 121.6036 56.0568 34.1608 173.3557 45 F 5.7412 8.9183 120.9114 55.3039 40.1421 175.8270 46 V 4.0048 8.5515 118.3818 61.1213 32.7887 175.9489 47 T 5.5744 8.3220 120.8523 59.1714 66.2385 173.3443 48 L 4.3364 8.3616 125.4163 54.4974 44.2189 176.1171 49 R 4.7800 8.6164 121.4224 55.2255 31.3350 174.9574 50 V 4.9150 8.4593 126.3022 60.9180 35.4715 174.1466 51 S 5.1421 8.5895 120.1736 57.0475 64.8573 173.0353 52 A 3.9903 8.3183 124.8392 54.4510 18.3298 176.2496 53 K 4.4808 9.6777 129.5774 56.9175 31.0939 178.2442 54 G 3.8423 8.2275 104.8629 48.2538 0.0000 175.1270 55 M 4.1223 8.4367 121.1508 58.4497 31.8101 179.0838 56 R 3.9566 8.0651 117.4567 59.3689 30.1890 179.1955 57 V 3.5916 8.4604 118.5395 65.9500 31.5476 178.2285 58 I 3.7122 7.6128 119.6518 64.2269 36.6890 177.8922 59 D 4.5019 8.0408 118.3704 56.0122 40.6368 177.0981 60 K 4.3199 7.2154 118.1323 58.3095 33.4762 178.0426 61 K 4.0559 8.3641 118.9052 56.5496 32.5866 177.6603 62 G 3.9535 7.7685 108.3071 46.0392 0.0000 174.3188 63 I 3.4608 8.3278 124.1923 64.5123 37.0422 178.3674 64 D 4.4088 8.0411 118.9838 57.5643 40.6484 178.8567 65 T 3.9602 7.8315 116.2345 66.1413 68.3785 177.3035 66 V 3.5140 7.3546 118.9794 65.8648 32.1107 177.7441 67 L 3.5994 8.3658 118.6066 56.8408 41.3464 179.1170 68 A 4.0336 7.4371 121.2051 55.3029 18.3276 177.7961 69 E 4.4740 7.7074 114.5512 57.4524 32.0532 174.2419 70 L 3.7452 8.5276 118.1413 55.1765 41.1803 176.9775 71 R 4.0774 7.8525 117.2621 59.9067 30.5441 178.7791 72 A 4.2817 7.7326 117.3108 53.5473 18.6834 177.8161 73 R 4.3010 8.4021 115.7556 55.4393 30.9041 176.4889 74 G 4.1116 7.6479 103.6331 46.1945 0.0000 174.2278 75 E 4.1874 7.9960 118.3779 55.9521 30.0028 176.0726 76 K 3.8857 8.3003 120.6250 54.7172 32.7756 176.7095 77 Y 4.0536 8.3881 121.2241 56.7810 39.1773 170.7071 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 S 8.33 4.46 0.00 3.89 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 2 R 8.11 4.08 0.00 1.89 1.92 0.00 3.16 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 3 V 7.66 4.51 2.19 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 0.81 0.00 0.00 0.94 0.00 0.00 4 C 8.74 4.39 0.00 3.04 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 5 Q 8.37 3.99 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.59 0.00 0.00 0.00 0.00 0.00 2.45 2.60 0.00 6 V 7.84 4.00 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 0.76 0.00 0.00 0.88 0.00 0.00 7 T 7.92 4.26 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 8 G 8.46 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 9 K 7.87 4.03 0.00 1.79 1.78 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.38 7.81 10 R 8.20 5.01 0.00 1.90 1.95 0.00 3.04 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 11 P 0.00 4.81 0.00 1.99 2.05 0.00 3.63 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 12 V 9.10 4.75 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 0.82 0.00 0.00 1.05 0.00 0.00 13 T 7.96 5.43 4.29 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 1.25 0.00 0.00 14 G 8.51 4.49 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 0.00 15 N 8.60 5.34 0.00 2.66 2.80 0.00 0.00 7.19 8.00 0.00 0.00 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 N 8.86 4.58 0.00 2.57 2.83 0.00 0.00 6.98 7.66 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 17 R 7.70 3.54 0.00 1.97 1.96 0.00 3.34 0.00 0.00 3.30 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 18 S 8.17 4.60 0.00 4.02 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 19 H 8.98 4.03 0.00 3.11 3.43 0.00 5.90 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 20 A 7.97 4.06 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 L 7.84 3.57 0.00 1.81 1.80 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 22 N 8.19 4.87 0.00 2.66 2.75 0.00 0.00 6.96 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.68 4.32 1.24 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 0.00 0.00 24 T 8.50 4.43 4.22 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 1.20 0.00 0.00 25 K 8.63 4.10 0.00 1.63 1.78 0.00 1.82 0.00 0.00 1.78 0.00 0.00 2.80 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.43 7.81 26 R 8.57 4.51 0.00 1.71 1.93 0.00 2.21 0.00 0.00 2.75 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 27 R 8.10 5.71 0.00 1.61 1.82 0.00 3.24 0.00 0.00 3.88 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.48 0.00 28 F 9.09 4.77 0.00 3.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 8.35 5.17 0.00 1.61 1.61 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.41 0.00 2.08 2.04 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.26 0.00 31 N 8.45 4.66 0.00 2.81 2.76 0.00 0.00 6.99 6.66 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 32 L 7.91 4.94 0.00 1.50 1.56 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 33 H 9.43 4.86 0.00 3.09 3.28 0.00 5.81 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.47 4.31 0.00 4.13 3.99 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.12 4.66 0.00 2.94 2.19 0.00 5.65 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.46 4.24 0.00 1.44 1.21 0.00 3.11 0.00 0.00 3.03 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.47 0.00 37 F 8.69 5.02 0.00 3.28 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.29 5.27 0.00 3.98 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 39 V 6.42 3.82 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 0.68 0.00 0.00 0.44 0.00 0.00 40 E 5.90 3.76 0.00 2.29 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 2.30 2.43 0.00 41 S 7.73 4.15 0.00 3.84 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 42 E 7.61 4.41 0.00 1.76 1.75 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 2.17 2.28 0.00 43 K 7.39 3.71 0.00 1.82 2.03 0.00 1.91 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.65 7.81 44 R 5.84 4.44 0.00 1.82 1.72 0.00 3.18 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 45 F 8.92 5.74 0.00 3.15 3.01 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 46 V 8.55 4.00 2.37 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 1.01 0.00 0.00 1.14 0.00 0.00 47 T 8.32 5.57 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 1.28 0.00 0.00 48 L 8.36 4.34 0.00 2.04 1.75 0.84 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.62 4.78 0.00 1.93 1.86 0.00 3.14 0.00 0.00 3.29 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 50 V 8.46 4.91 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 1.07 0.00 0.00 1.14 0.00 0.00 51 S 8.59 5.14 0.00 3.96 3.99 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.32 3.99 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 53 K 9.68 4.48 0.00 1.83 2.26 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.30 7.81 54 G 8.23 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 0.00 0.00 0.00 55 M 8.44 4.12 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.81 0.00 56 R 8.07 3.96 0.00 1.97 1.99 0.00 3.13 0.00 0.00 3.27 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 57 V 8.46 3.59 2.26 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 0.98 0.00 0.00 0.97 0.00 0.00 58 I 7.61 3.71 1.76 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.42 0.70 0.00 0.00 59 D 8.04 4.50 0.00 2.82 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 7.22 4.32 0.00 1.71 1.75 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.43 7.81 61 K 8.36 4.06 0.00 1.86 1.80 0.00 1.71 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.44 1.42 7.81 62 G 7.77 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 0.00 0.00 0.00 63 I 8.33 3.46 1.75 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.59 0.63 0.00 0.00 64 D 8.04 4.41 0.00 2.62 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.83 3.96 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 1.16 0.00 0.00 66 V 7.35 3.51 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 0.72 0.00 0.00 0.87 0.00 0.00 67 L 8.37 3.60 0.00 1.30 0.57 0.66 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 68 A 7.44 4.03 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 69 E 7.71 4.47 0.00 2.11 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 2.31 2.46 0.00 70 L 8.53 3.75 0.00 1.92 1.69 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 71 R 7.85 4.08 0.00 2.32 2.27 0.00 3.22 0.00 0.00 3.33 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 72 A 7.73 4.28 1.32 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 0.00 0.00 0.00 73 R 8.40 4.30 0.00 1.70 2.12 0.00 3.24 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 74 G 7.65 4.11 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 0.00 0.00 0.00 75 E 8.00 4.19 0.00 2.03 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 2.35 2.33 0.00 76 K 8.30 3.89 0.00 1.86 1.74 0.00 1.75 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.48 7.81 77 Y 8.39 4.05 0.00 3.20 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