NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4213 8.1627 120.6049 55.4735 34.0450 173.5437 2 Q 4.9570 8.4610 126.7559 52.4448 31.9745 172.4700 3 I 4.6869 9.1916 119.5627 59.0994 42.1777 173.4015 4 F 5.3407 8.7372 121.1991 55.8808 41.8683 175.1393 5 V 4.8403 9.2231 122.2338 61.2447 34.0836 174.2142 6 K 5.1433 9.3152 128.4603 55.2410 34.2600 176.4656 7 T 4.7078 8.5273 114.8096 59.7985 71.1447 175.3360 8 L 3.8657 8.7547 123.8502 58.6541 41.8034 177.9117 9 T 4.1551 7.8784 104.7164 61.6574 69.0602 175.1831 10 G 3.8868 8.4040 110.6685 45.5469 0.0000 173.8099 11 K 4.1956 7.6800 121.5430 56.5218 33.5261 175.7904 12 T 5.0613 8.4522 122.3687 61.8321 71.0817 172.9995 13 I 4.5248 8.9870 127.4419 59.5743 40.5716 174.1085 14 T 4.9828 8.5030 125.0675 62.0528 70.2739 173.9062 15 L 4.7534 8.6817 125.6861 52.7694 45.3433 175.1069 16 E 4.6554 8.6896 124.1651 55.6427 30.4070 175.3672 17 V 4.7115 8.7775 120.1138 59.9173 36.2820 174.2985 18 E 4.7139 9.4221 119.3277 54.1857 33.2698 175.8511 19 P 4.1752 0.0000 0.0000 65.8145 31.5296 178.1625 20 S 4.5289 7.8415 110.7253 58.1837 63.2668 173.9124 21 D 4.3941 7.9518 122.6508 54.7134 41.2473 176.7040 22 T 4.6327 8.3008 114.0347 61.4991 70.9911 175.6192 23 I 3.7216 8.4013 122.9505 64.5823 36.9291 178.6503 24 E 3.9703 8.1905 118.9987 59.5659 29.3111 179.0041 25 N 4.3420 8.0380 116.2302 56.2146 38.5867 177.6956 26 V 3.5699 7.6867 119.6114 65.9218 31.5579 178.2138 27 K 4.3827 8.5261 119.4740 58.9090 31.9539 179.1812 28 A 3.9879 8.1497 121.0475 55.1158 18.1734 179.8830 29 K 3.9819 8.1274 117.0475 59.5517 32.0380 179.7340 30 I 3.7451 7.9345 120.3404 64.1715 36.9424 177.9980 31 Q 4.0981 8.4011 120.8608 59.4834 28.5941 178.3618 32 D 4.3369 7.8092 118.4344 57.2559 40.9179 178.5148 33 K 4.2053 7.6988 117.9565 58.3411 32.4296 178.2299 34 E 4.6588 8.5674 116.1686 54.9200 31.2300 176.9601 35 G 3.8468 8.0569 106.5787 46.0318 0.0000 172.9663 36 I 4.2939 7.5158 119.9460 58.4753 38.5530 174.1521 37 P 4.3631 0.0000 0.0000 62.0991 32.0081 175.7047 38 P 4.3195 0.0000 0.0000 65.5602 31.4565 178.3342 39 D 4.4586 8.0529 116.2849 55.6063 39.6419 176.8059 40 Q 4.3354 8.1904 118.0972 56.1449 29.3753 174.6017 41 Q 4.8832 7.8772 118.8388 54.4332 31.0457 174.8299 42 R 4.8317 9.1369 122.4925 54.2919 33.8553 174.4532 43 L 5.2287 8.4993 122.5093 52.9771 44.8856 175.2730 44 I 5.0299 8.7394 123.9012 59.4228 40.8192 174.3005 45 F 5.0619 9.0793 128.2088 56.6763 42.3557 174.6967 46 A 3.6040 9.1795 129.6943 53.1374 15.7606 177.5871 47 G 3.9194 8.1277 107.9897 45.5419 0.0000 173.2649 48 K 4.4447 7.6682 121.7559 54.2615 33.5727 174.8440 49 Q 4.5538 8.5704 128.0314 56.1666 29.5027 175.3748 50 L 3.9925 8.9560 127.4598 54.4098 42.8420 176.0763 51 E 4.7719 9.2429 122.4884 54.1804 32.2890 175.4173 52 D 4.9160 8.2925 122.4530 55.4365 41.2887 176.4592 53 G 4.1018 8.6827 112.0340 45.7127 0.0000 174.2010 54 R 4.5224 8.0680 118.8043 55.2224 31.3744 175.2371 55 T 5.0703 8.4959 109.1465 59.5288 71.5679 175.4478 56 L 3.9005 8.7073 122.8144 58.1498 41.9352 180.4833 57 S 4.2040 8.0974 112.7872 61.1496 63.1145 176.1183 58 D 4.2068 7.7705 120.6518 56.9518 40.5088 176.7437 59 Y 4.5184 7.4434 113.6590 56.9198 38.1578 174.7856 60 N 4.1661 8.0043 117.2805 54.4672 37.9594 174.0443 61 I 3.5453 7.6195 117.5766 60.3394 37.7265 175.6635 62 Q 4.6408 8.5237 124.2401 52.8688 31.9307 174.4932 63 K 3.9060 8.3936 118.7319 58.8342 32.0833 176.3453 64 E 3.9541 9.3732 124.1548 56.4552 28.1602 174.9387 65 S 4.5584 7.8414 115.8195 59.2293 64.2318 173.2363 66 T 5.2544 8.7661 118.7358 61.9953 70.6965 173.6551 67 L 5.0646 9.1036 126.2048 53.4113 45.1322 174.9715 68 H 5.2719 9.0917 119.1803 54.0078 31.3316 173.1193 69 L 4.7352 8.7861 126.7982 54.2115 42.8699 175.7483 70 V 4.4191 9.0215 127.1898 61.1080 33.8660 174.1395 71 L 4.9631 8.4250 127.8128 53.1770 43.0989 176.2265 72 R 4.0099 8.8950 125.3545 56.1502 30.5345 176.2851 73 L 3.7781 8.7285 126.8362 56.0486 40.4344 176.7187 74 R 3.8439 8.5325 123.2865 57.3521 30.8374 176.9436 75 G 3.7312 10.6803 119.8287 45.5212 0.0000 172.4868 76 G 3.7291 8.8670 110.3500 46.0295 0.0000 173.4346 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 4.42 0.00 2.24 1.97 0.00 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 2 Q 8.46 4.96 0.00 2.08 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.62 0.00 0.00 0.00 0.00 0.00 2.16 2.29 0.00 3 I 9.19 4.69 1.89 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 1.12 0.93 0.79 0.00 0.00 4 F 8.74 5.34 0.00 2.98 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 5 V 9.22 4.84 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 1.00 0.00 0.00 0.93 0.00 0.00 6 K 9.32 5.14 0.00 1.63 1.72 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.35 7.81 7 T 8.53 4.71 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 1.23 0.00 0.00 8 L 8.75 3.87 0.00 1.61 1.79 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.88 4.16 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 8.40 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 11 K 7.68 4.20 0.00 1.83 1.69 0.00 1.58 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.43 7.81 12 T 8.45 5.06 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 1.29 0.00 0.00 13 I 8.99 4.52 1.89 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 1.25 1.46 1.02 0.00 0.00 14 T 8.50 4.98 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 1.01 0.00 0.00 15 L 8.68 4.75 0.00 1.47 1.47 0.89 0.76 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 16 E 8.69 4.66 0.00 1.91 1.82 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 2.22 2.36 0.00 17 V 8.78 4.71 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 0.69 0.00 0.00 0.85 0.00 0.00 18 E 9.42 4.71 0.00 1.80 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 2.19 2.23 0.00 19 P 0.00 4.18 0.00 2.15 2.09 0.00 3.56 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 20 S 7.84 4.53 0.00 3.84 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 21 D 7.95 4.39 0.00 2.88 2.59 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 0.00 0.00 0.00 0.00 22 T 8.30 4.63 4.45 0.00 0.00 0.00 0.00 0.00 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 23 I 8.40 3.72 2.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.01 0.89 0.00 0.00 24 E 8.19 3.97 0.00 2.05 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 2.41 2.64 0.00 25 N 8.04 4.34 0.00 2.95 2.85 0.00 0.00 6.66 7.27 0.00 0.00 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 7.69 3.57 2.17 0.00 0.00 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 0.95 0.00 0.00 27 K 8.53 4.38 0.00 1.98 1.84 0.00 1.73 0.00 0.00 1.95 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.61 1.49 7.81 28 A 8.15 3.99 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.13 3.98 0.00 1.99 1.85 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.59 7.81 30 I 7.93 3.75 2.12 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 1.40 0.67 0.91 0.00 0.00 31 Q 8.40 4.10 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 32 D 7.81 4.34 0.00 2.91 2.71 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 33 K 7.70 4.21 0.00 1.68 1.86 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.63 7.81 34 E 8.57 4.66 0.00 1.94 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 0.00 2.23 2.43 0.00 35 G 8.06 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 36 I 7.52 4.29 1.87 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 1.42 0.64 0.91 0.00 0.00 37 P 0.00 4.36 0.00 2.17 1.98 0.00 3.75 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 2.11 2.12 0.00 38 P 0.00 4.32 0.00 2.17 2.10 0.00 3.60 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 2.11 2.08 0.00 39 D 8.05 4.46 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 8.19 4.34 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 41 Q 7.88 4.88 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.53 0.00 42 R 9.14 4.83 0.00 1.76 1.78 0.00 3.24 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 43 L 8.50 5.23 0.00 1.52 1.50 0.89 0.78 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 44 I 8.74 5.03 1.91 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 1.11 0.73 0.92 0.00 0.00 45 F 9.08 5.06 0.00 2.95 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 46 A 9.18 3.60 0.71 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 47 G 8.13 3.92 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 0.00 0.00 0.00 48 K 7.67 4.44 0.00 1.85 1.85 0.00 1.82 0.00 0.00 1.97 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.43 7.81 49 Q 8.57 4.55 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 50 L 8.96 3.99 0.00 1.37 1.24 0.69 -0.01 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 51 E 9.24 4.77 0.00 2.02 1.90 0.00 0.00 0.00 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 2.36 0.00 52 D 8.29 4.92 0.00 2.66 2.68 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 53 G 8.68 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 0.00 0.00 0.00 54 R 8.07 4.52 0.00 2.23 2.00 0.00 3.23 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 55 T 8.50 5.07 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 1.24 0.00 0.00 56 L 8.71 3.90 0.00 1.90 1.71 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.10 4.20 0.00 4.02 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 58 D 7.77 4.21 0.00 2.53 2.33 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 0.00 59 Y 7.44 4.52 0.00 2.87 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 60 N 8.00 4.17 0.00 2.89 3.01 0.00 0.00 7.13 7.52 0.00 0.00 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 7.62 3.55 1.76 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.08 0.60 0.00 0.00 62 Q 8.52 4.64 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.87 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 63 K 8.39 3.91 0.00 1.68 1.75 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.45 7.81 64 E 9.37 3.95 0.00 2.23 2.33 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 2.38 2.26 0.00 65 S 7.84 4.56 0.00 3.76 3.76 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 66 T 8.77 5.25 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 1.16 0.00 0.00 67 L 9.10 5.06 0.00 1.60 1.56 0.83 0.73 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 68 H 9.09 5.27 0.00 3.05 3.20 0.00 5.60 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.79 4.74 0.00 1.64 1.60 0.98 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 70 V 9.02 4.42 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 0.95 0.00 0.00 0.94 0.00 0.00 71 L 8.43 4.96 0.00 1.57 1.58 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.90 4.01 0.00 1.87 1.91 0.00 3.29 0.00 0.00 3.37 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 73 L 8.73 3.78 0.00 1.77 1.71 0.92 0.67 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 74 R 8.53 3.84 0.00 1.79 1.93 0.00 3.29 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 75 G 10.68 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 76 G 8.87 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