NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 G 3.9825 8.2133 109.7410 45.3963 0.0000 174.1082 6 T 3.7126 8.4808 114.8301 66.2740 68.0716 175.1953 7 L 4.0970 7.6983 120.7634 58.0595 42.3871 179.1640 8 T 3.9745 7.8867 109.1828 64.7156 68.8551 176.6945 9 R 4.0065 8.2686 121.1574 59.1285 29.9573 178.3940 10 Y 3.9824 7.8390 118.1910 60.7727 38.6903 177.7367 11 L 4.0734 8.1466 118.7383 57.9863 41.8088 178.9733 12 E 4.0735 8.4877 118.5515 59.1322 30.0143 178.1132 13 E 4.0482 8.2623 119.1658 59.0728 29.7341 179.2045 14 A 3.8416 7.7799 117.1649 53.0641 18.0837 178.7650 *16 A 4.2660 7.9328 124.7079 53.5125 20.3853 178.9547 17 R 4.1334 7.6066 111.8690 57.0015 30.6127 176.8465 18 A 4.2211 7.2083 119.8154 52.2372 19.0706 177.3023 19 R 4.6523 8.6018 119.4603 54.5500 34.0935 174.2812 20 Y 5.2879 8.6488 119.2353 56.5281 41.6763 174.3547 21 E 4.8239 9.4735 121.0641 55.0679 33.9643 173.6546 22 L 4.9087 8.4946 124.7935 53.5251 42.6224 176.0088 23 I 4.4190 8.6919 117.4095 58.7245 41.0513 175.3478 24 A 4.5317 8.1826 127.1727 50.5903 17.0055 175.9180 25 D 4.7544 7.4137 119.4356 51.6783 45.0066 174.8821 26 E 3.9694 8.8509 123.3453 58.3957 29.7294 176.4214 27 E 4.5692 8.5947 119.1819 54.0879 29.0249 173.7681 28 P 4.6620 0.0000 0.0000 63.3827 32.9389 175.0940 29 Y 5.0744 8.0687 119.6402 56.5676 40.0936 173.9998 30 Y 5.3316 9.3124 125.7005 55.7811 42.1833 174.4877 31 G 4.1222 8.6360 112.5447 44.3043 0.0000 171.1387 32 E 5.0202 8.5265 120.0317 54.7021 34.1134 174.4002 33 I 4.3205 7.9633 121.3680 58.9142 38.0441 174.5454 34 P 4.2584 0.0000 0.0000 65.7330 31.3354 178.1376 35 D 4.4877 7.9838 115.8832 56.1196 41.1664 176.4677 36 L 4.4838 7.9507 120.3702 50.8543 41.6308 173.1191 37 P 4.4448 0.0000 0.0000 64.2739 31.7358 177.8295 38 G 3.8744 9.2273 109.6236 45.2233 0.0000 173.7597 39 V 3.8873 7.3763 120.3869 61.1762 30.2551 174.1451 40 W 5.5048 7.6127 121.4731 55.4418 31.2220 173.2609 41 A 5.0223 9.1565 121.4776 51.3388 22.5508 175.1767 42 T 5.3448 8.7302 108.8006 60.3720 72.1700 173.1947 43 G 4.3927 9.1617 108.3737 45.2372 0.0000 174.0091 44 K 4.6116 9.9560 119.9843 57.4832 32.6497 177.9362 45 S 4.1539 7.4495 113.3040 55.1494 67.2757 174.3495 46 L 3.4968 6.9671 123.7616 58.1771 41.7844 179.3646 47 K 3.8174 7.6502 117.8379 59.3951 31.9215 178.8034 48 E 3.9190 8.1103 119.6275 59.1258 29.4637 178.2104 49 C 4.1094 8.3428 119.2205 62.6213 31.5753 175.1458 50 E 4.1062 8.4733 120.8087 59.3610 29.1913 178.5856 51 A 3.9984 8.0283 120.6658 55.4431 18.4929 179.4507 52 N 4.3788 8.5292 115.2007 56.0212 38.5661 177.5847 53 L 3.9266 8.2808 122.2361 58.2898 42.1921 178.8007 54 Q 3.9907 8.4445 119.5527 59.0738 28.9300 178.1512 55 A 3.9834 8.1609 121.7018 55.0185 18.4543 179.4100 56 A 3.9541 8.0840 119.3011 55.1565 18.3738 179.5486 57 L 3.9915 8.0745 118.7816 58.5521 42.1341 179.0804 58 E 4.0921 8.5817 118.7381 59.6278 29.4061 179.1953 59 D 4.3942 8.3593 118.9939 56.9199 40.8610 178.5016 60 W 4.2947 8.8692 129.3887 60.5253 30.6363 177.8420 61 L 3.1567 8.5703 120.4696 57.6971 41.4958 178.5159 62 L 3.8682 8.2227 120.6964 58.0720 41.8792 178.7227 63 F 4.3691 8.2328 120.4372 61.3032 39.4719 176.7895 64 L 3.4727 7.5373 119.8299 57.9376 41.7039 178.7345 65 L 3.8470 7.7589 119.2896 57.9038 41.3963 179.7699 66 S 4.1738 8.0154 112.3233 60.7711 62.9711 175.6740 67 R 4.2790 7.3567 120.1722 55.8424 29.9882 177.0265 68 G 3.8238 7.9714 107.3134 45.8836 0.0000 173.6952 69 E 4.3923 7.6020 118.2747 54.9874 30.9047 175.5366 70 T 4.4152 7.9092 110.9099 58.9856 70.5192 173.0136 71 P 4.4170 0.0000 0.0000 61.5532 32.1222 174.2231 72 P 4.5004 0.0000 0.0000 61.5967 31.8526 175.0348 73 P 4.6770 0.0000 0.0000 63.1567 31.8893 176.4373 74 L 4.5310 8.6945 121.6579 53.4254 42.4379 177.8845 75 G 3.8304 7.9501 116.5462 47.0145 0.0000 173.3965 76 E 4.2290 8.8111 123.7429 56.4962 29.9687 176.1814 77 V 3.9111 7.7468 121.0646 62.4412 31.7211 175.0870 78 R 5.1837 8.4270 124.9279 54.7088 34.2548 175.2683 79 I 4.0574 8.1916 118.9943 61.5906 37.5360 175.8436 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 G 8.21 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 6 T 8.48 3.71 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 1.21 0.00 0.00 7 L 7.70 4.10 0.00 1.72 1.74 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.89 3.97 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 1.24 0.00 0.00 9 R 8.27 4.01 0.00 2.01 2.07 0.00 3.16 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 10 Y 7.84 3.98 0.00 3.18 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 11 L 8.15 4.07 0.00 1.87 1.81 1.00 1.34 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 12 E 8.49 4.07 0.00 1.96 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 2.32 2.32 0.00 13 E 8.26 4.05 0.00 2.06 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 2.33 2.23 0.00 14 A 7.78 3.84 1.21 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 0.00 0.00 *16 A 7.93 4.27 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 17 R 7.61 4.13 0.00 1.91 1.91 0.00 3.07 0.00 0.00 3.38 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 18 A 7.21 4.22 1.04 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 0.00 0.00 19 R 8.60 4.65 0.00 1.61 1.74 0.00 3.03 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.68 0.00 20 Y 8.65 5.29 0.00 2.87 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.47 4.82 0.00 2.16 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 2.18 2.33 0.00 22 L 8.49 4.91 0.00 1.50 1.43 0.88 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 23 I 8.69 4.42 1.74 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.91 0.72 0.00 0.00 24 A 8.18 4.53 1.22 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 0.00 0.00 0.00 25 D 7.41 4.75 0.00 2.53 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 26 E 8.85 3.97 0.00 1.98 2.00 0.00 0.00 0.00 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 2.30 0.00 27 E 8.59 4.57 0.00 2.06 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 0.00 2.35 2.29 0.00 28 P 0.00 4.66 0.00 1.66 2.14 0.00 4.16 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.81 0.00 29 Y 8.07 5.07 0.00 3.17 3.02 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 30 Y 9.31 5.33 0.00 3.01 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 31 G 8.64 4.12 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 0.00 32 E 8.53 5.02 0.00 1.95 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 33 I 7.96 4.32 1.67 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.54 0.81 0.00 0.00 34 P 0.00 4.26 0.00 1.99 2.11 0.00 3.59 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.09 0.00 35 D 7.98 4.49 0.00 2.58 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.95 4.48 0.00 1.28 0.75 0.39 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.44 0.00 2.21 2.10 0.00 3.84 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 38 G 9.23 3.87 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 0.00 0.00 0.00 39 V 7.38 3.89 1.85 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 0.82 0.00 0.00 0.14 0.00 0.00 40 W 7.61 5.50 0.00 3.15 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 41 A 9.16 5.02 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 42 T 8.73 5.34 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 1.56 0.00 0.00 43 G 9.16 4.39 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 0.00 44 K 9.96 4.61 0.00 1.89 1.94 0.00 1.71 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.44 7.81 45 S 7.45 4.15 0.00 3.73 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 46 L 6.97 3.50 0.00 1.24 1.35 0.65 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 47 K 7.65 3.82 0.00 1.69 1.77 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.37 7.81 48 E 8.11 3.92 0.00 2.03 1.92 0.00 0.00 0.00 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 2.32 0.00 49 C 8.34 4.11 0.00 3.22 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 50 E 8.47 4.11 0.00 1.92 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 0.00 2.36 2.45 0.00 51 A 8.03 4.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.53 4.38 0.00 2.94 2.92 0.00 0.00 6.69 7.58 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 53 L 8.28 3.93 0.00 1.85 1.90 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 8.44 3.99 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 55 A 8.16 3.98 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 56 A 8.08 3.95 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 57 L 8.07 3.99 0.00 1.78 1.99 1.05 0.93 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 58 E 8.58 4.09 0.00 2.10 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 2.42 2.65 0.00 59 D 8.36 4.39 0.00 2.98 2.77 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 0.00 0.00 0.00 0.00 60 W 8.87 4.29 0.00 3.35 3.48 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 61 L 8.57 3.16 0.00 2.09 1.86 0.50 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.22 3.87 0.00 1.86 1.90 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.23 4.37 0.00 3.11 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 64 L 7.54 3.47 0.00 0.95 0.87 0.49 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.76 3.85 0.00 1.80 1.61 0.81 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.02 4.17 0.00 4.05 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 0.00 67 R 7.36 4.28 0.00 1.71 1.88 0.00 3.00 0.00 0.00 2.47 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 68 G 7.97 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 69 E 7.60 4.39 0.00 1.99 1.74 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 2.20 2.11 0.00 70 T 7.91 4.42 4.18 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 1.16 0.00 0.00 71 P 0.00 4.42 0.00 2.04 1.74 0.00 3.57 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.34 0.00 72 P 0.00 4.50 0.00 2.22 2.15 0.00 4.29 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 73 P 0.00 4.68 0.00 2.37 2.14 0.00 3.79 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 74 L 8.69 4.53 0.00 1.47 1.47 0.25 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 75 G 7.95 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 76 E 8.81 4.23 0.00 1.98 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 0.00 2.29 2.24 0.00 77 V 7.75 3.91 2.20 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 1.15 0.00 0.00 0.93 0.00 0.00 78 R 8.43 5.18 0.00 1.83 1.80 0.00 3.24 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 79 I 8.19 4.06 1.56 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.39 0.78 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.