NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4463 8.1627 118.3249 55.3695 33.6958 173.0894 2 Q 4.8452 8.2304 119.8868 52.4535 31.2680 172.6513 3 I 4.5466 9.1078 120.2540 58.9459 42.1103 173.5084 4 F 5.3590 8.6609 121.0417 55.7283 42.1002 174.6340 5 V 4.8565 9.2126 123.1819 61.1031 33.9173 174.3879 6 K 5.2688 8.9621 127.1482 54.6248 35.7192 176.5678 7 T 4.6971 8.3302 113.8040 60.6725 69.5782 175.0734 8 L 4.2361 8.2448 119.9583 56.2913 41.7206 178.0365 9 T 4.1656 7.8204 114.6177 63.4145 68.7775 175.7781 10 G 3.9708 8.1567 110.3675 44.8069 0.0000 174.2259 11 K 3.9244 7.4091 118.6479 57.5803 33.0794 175.7894 12 T 5.0698 8.5674 121.1066 61.8671 70.8982 173.6150 13 I 4.5377 9.1271 127.2544 59.9154 39.6911 174.5793 14 T 5.0369 8.5943 123.2710 61.9164 70.4559 173.9398 15 L 4.8087 8.7443 125.4365 52.8247 46.0959 174.9538 16 E 4.8895 8.6796 123.1322 55.1454 30.7681 175.1924 17 V 4.7118 8.6431 119.7693 60.1125 36.5024 174.0608 18 E 4.7172 9.0552 119.0172 54.1174 33.3547 175.7614 19 P 4.2125 0.0000 0.0000 65.8117 31.5108 178.4914 20 S 4.3861 7.8849 109.9552 59.2229 63.8029 174.2068 21 D 4.4054 7.9090 122.9589 54.7897 41.3788 176.3994 22 T 4.8278 8.1810 113.5518 61.0130 71.4695 175.9694 23 I 3.7510 8.4188 122.0239 64.3267 36.8439 178.5185 24 E 3.9182 8.1991 120.3273 59.1913 29.4332 178.3862 25 N 4.2741 8.1078 116.5952 56.3986 38.5570 177.4701 26 V 3.5462 7.6452 118.8791 66.0735 31.6100 178.1668 27 K 4.2873 8.5793 119.5406 58.8704 31.8381 179.1901 28 A 3.9802 8.3495 121.3635 55.1254 18.3099 179.8689 29 K 4.0639 8.2658 117.0809 59.5797 32.0775 179.7283 30 I 3.7533 7.9551 120.4658 64.1938 36.9043 178.2162 31 Q 4.1382 8.1579 121.9762 58.8119 28.6990 177.8736 32 D 4.3564 8.3172 119.0358 57.4155 40.9621 178.6044 33 K 4.2880 7.9600 117.1202 57.7444 32.4765 177.4464 34 E 4.5139 8.1534 115.1442 54.7847 31.5038 176.8689 35 G 3.8880 8.4959 106.7631 45.3388 0.0000 173.3818 36 I 4.0628 7.3691 121.5538 59.5717 37.8693 173.8797 37 P 4.4092 0.0000 0.0000 61.6531 32.2097 175.5501 38 P 4.2774 0.0000 0.0000 65.8342 31.3665 178.5306 39 D 4.5096 8.0773 115.7500 55.8332 39.4611 176.8134 40 Q 4.3503 8.1546 117.9614 55.9477 29.1875 174.3957 41 Q 4.8780 8.3754 119.4499 53.9954 31.3872 174.3594 42 R 4.6807 8.9895 125.0273 54.5105 32.6358 174.3849 43 L 5.2808 8.4667 125.6880 53.1799 44.7091 175.3975 44 I 5.1662 8.7563 122.9351 59.6096 41.6848 174.2465 45 F 5.0104 8.8194 127.2096 57.0451 42.9210 174.3611 46 A 3.5296 8.8871 128.7756 53.1903 15.9277 177.5318 47 G 3.8506 8.3750 107.5238 47.2908 0.0000 174.4657 48 K 4.6232 7.6437 121.4757 52.2436 33.9610 179.8826 49 Q 4.6836 8.5436 122.8082 55.1570 29.3474 175.6191 50 L 4.0291 8.7593 125.1521 53.8606 42.9096 176.2755 51 E 4.3822 9.4650 124.1601 55.6360 30.8439 176.9997 52 D 4.3697 9.2716 124.9109 57.7389 40.9727 179.1627 53 G 3.8026 7.9993 104.2154 46.8946 0.0000 173.8660 54 R 4.3905 7.9801 120.0355 55.6968 31.2327 175.7128 55 T 4.9996 8.7363 110.3042 59.8280 71.1523 175.8903 56 L 4.0561 8.6488 122.8515 58.0509 41.9212 180.3556 57 S 4.1821 8.3085 113.1731 61.0236 63.3533 175.9546 58 D 4.1957 7.9795 120.6347 57.2835 40.5201 176.9437 59 Y 4.4721 7.5535 113.5191 57.1506 37.9801 175.0883 60 N 4.1624 8.1456 116.0539 54.1382 36.7479 174.4938 61 I 3.4594 7.7693 119.6134 61.1861 37.0028 175.6972 62 Q 4.6091 7.9509 126.1638 53.2035 31.2648 175.3151 63 K 4.0512 8.2295 117.5417 58.7360 32.7412 177.0212 64 E 3.8559 9.4262 120.5011 56.6876 28.1409 175.0587 65 S 4.4843 7.7011 115.5160 59.2291 64.2942 173.3436 66 T 5.2108 8.6925 118.8545 62.1313 70.2540 174.0520 67 L 4.9001 9.0838 127.0565 53.9709 44.4875 175.1344 68 H 5.4314 9.2675 118.0528 54.1316 31.4877 173.3673 69 L 5.0457 9.0011 125.0135 53.3686 44.1555 175.1561 70 V 4.6075 8.7614 126.2622 60.6175 34.9252 174.6270 71 L 4.4870 8.6313 126.9888 54.9886 42.3365 176.2569 72 R 4.5020 8.6289 124.4960 54.7245 31.0857 175.7523 73 L 4.5553 8.4121 126.3206 53.6807 43.3682 177.3592 74 R 4.1647 8.6117 119.9805 57.9223 31.2191 177.6492 75 G 3.9806 8.6054 105.9094 46.9722 0.0000 172.4850 76 G 4.0673 8.4977 114.3333 45.7690 0.0000 172.6381 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 M 8.16 4.45 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.64 0.00 2 Q 8.23 4.85 0.00 2.08 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.74 0.00 0.00 0.00 0.00 0.00 1.61 2.09 0.00 3 I 9.11 4.55 1.74 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.90 0.77 0.00 0.00 4 F 8.66 5.36 0.00 3.07 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 5 V 9.21 4.86 2.12 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 1.00 0.00 0.00 0.94 0.00 0.00 6 K 8.96 5.27 0.00 1.76 1.70 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.80 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.40 7.81 7 T 8.33 4.70 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 1.23 0.00 0.00 8 L 8.24 4.24 0.00 1.61 1.70 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.82 4.17 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 10 G 8.16 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 0.00 0.00 0.00 11 K 7.41 3.92 0.00 1.79 1.79 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.45 7.81 12 T 8.57 5.07 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 1.30 0.00 0.00 13 I 9.13 4.54 1.91 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 1.44 0.83 0.93 0.00 0.00 14 T 8.59 5.04 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 1.15 0.00 0.00 15 L 8.74 4.81 0.00 1.44 1.44 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.68 4.89 0.00 1.92 1.81 0.00 0.00 0.00 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 17 V 8.64 4.71 2.14 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 0.69 0.00 0.00 0.85 0.00 0.00 18 E 9.06 4.72 0.00 1.85 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 2.19 2.23 0.00 19 P 0.00 4.21 0.00 2.15 2.09 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 20 S 7.88 4.39 0.00 3.97 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 21 D 7.91 4.41 0.00 2.83 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.18 4.83 4.56 0.00 0.00 0.00 0.00 0.00 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 23 I 8.42 3.75 2.16 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.00 0.94 0.00 0.00 24 E 8.20 3.92 0.00 2.12 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 2.31 2.40 0.00 25 N 8.11 4.27 0.00 2.99 2.85 0.00 0.00 6.66 7.70 0.00 0.00 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 V 7.65 3.55 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 1.08 0.00 0.00 0.95 0.00 0.00 27 K 8.58 4.29 0.00 1.96 1.85 0.00 1.73 0.00 0.00 1.90 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.62 1.51 7.81 28 A 8.35 3.98 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 29 K 8.27 4.06 0.00 2.00 1.86 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.64 7.81 30 I 7.96 3.75 2.13 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 1.41 1.02 0.93 0.00 0.00 31 Q 8.16 4.14 0.00 2.20 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 32 D 8.32 4.36 0.00 2.82 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 33 K 7.96 4.29 0.00 1.74 1.87 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.68 7.81 34 E 8.15 4.51 0.00 2.02 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 2.31 2.37 0.00 35 G 8.50 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 0.00 0.00 0.00 36 I 7.37 4.06 1.87 0.00 0.00 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 1.42 1.06 0.91 0.00 0.00 37 P 0.00 4.41 0.00 2.39 1.97 0.00 3.62 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 2.26 2.10 0.00 38 P 0.00 4.28 0.00 2.17 2.20 0.00 3.60 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 39 D 8.08 4.51 0.00 2.78 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.15 4.35 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 41 Q 8.38 4.88 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.51 0.00 42 R 8.99 4.68 0.00 1.85 1.91 0.00 3.06 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 43 L 8.47 5.28 0.00 1.58 1.50 0.90 0.97 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 44 I 8.76 5.17 1.92 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 1.11 0.66 0.96 0.00 0.00 45 F 8.82 5.01 0.00 2.99 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 46 A 8.89 3.53 0.89 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 0.00 0.00 47 G 8.38 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 48 K 7.64 4.62 0.00 1.69 1.66 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.27 1.24 7.81 49 Q 8.54 4.68 0.00 1.95 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 50 L 8.76 4.03 0.00 1.30 1.19 0.75 -0.16 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 51 E 9.46 4.38 0.00 2.09 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 2.37 2.41 0.00 52 D 9.27 4.37 0.00 2.76 2.76 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 0.00 0.00 0.00 53 G 8.00 3.80 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 0.00 0.00 0.00 54 R 7.98 4.39 0.00 2.25 1.76 0.00 3.16 0.00 0.00 2.93 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 55 T 8.74 5.00 4.47 0.00 0.00 0.00 0.00 0.00 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 56 L 8.65 4.06 0.00 1.91 1.73 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.31 4.18 0.00 4.00 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 58 D 7.98 4.20 0.00 2.82 2.41 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 59 Y 7.55 4.47 0.00 2.89 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 60 N 8.15 4.16 0.00 2.97 2.95 0.00 0.00 6.94 7.62 0.00 0.00 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 I 7.77 3.46 1.82 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.09 0.26 0.58 0.00 0.00 62 Q 7.95 4.61 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.97 0.00 0.00 0.00 0.00 0.00 2.28 2.48 0.00 63 K 8.23 4.05 0.00 1.81 1.79 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.41 7.81 64 E 9.43 3.86 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 2.34 2.61 0.00 65 S 7.70 4.48 0.00 3.70 3.65 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 66 T 8.69 5.21 4.33 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 1.21 0.00 0.00 67 L 9.08 4.90 0.00 1.59 1.74 0.85 0.59 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 68 H 9.27 5.43 0.00 3.06 3.17 0.00 5.59 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.00 5.05 0.00 1.72 1.54 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.76 4.61 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 1.02 0.00 0.00 0.92 0.00 0.00 71 L 8.63 4.49 0.00 1.55 1.59 0.92 0.86 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 72 R 8.63 4.50 0.00 1.80 1.94 0.00 3.25 0.00 0.00 3.35 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 73 L 8.41 4.56 0.00 1.67 1.57 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.61 4.16 0.00 1.80 1.98 0.00 3.48 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 75 G 8.61 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 76 G 8.50 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