NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3865 0.0000 0.0000 62.8822 33.3073 174.7667 3 Q 4.8554 8.3725 120.8923 54.1515 31.1745 172.8484 4 Y 4.7799 9.3305 120.4707 56.5014 41.9069 175.7033 5 Q 4.6050 8.7853 120.2633 56.6739 29.8621 176.5970 6 T 4.8309 7.6364 108.9394 58.7522 72.8713 174.3168 7 W 3.6732 8.9065 133.4903 60.5279 30.7189 177.1087 8 E 3.7839 8.3523 118.6414 60.0495 28.8118 178.0769 9 E 3.8424 8.1840 117.8209 59.4010 29.5864 179.0460 10 F 2.9520 7.6333 118.5551 61.9184 39.2977 177.0185 11 S 2.9563 7.1578 112.2534 61.0728 61.8036 176.2158 12 R 3.6961 7.6028 116.9522 59.1761 29.3344 178.4049 13 A 4.0444 7.8384 121.7689 54.8918 18.1717 179.4661 14 A 3.7195 7.9079 119.4071 55.2083 18.3626 179.1911 15 E 3.8142 8.7111 118.4526 59.3902 29.6541 178.9350 16 K 3.8675 8.7642 120.4790 59.4903 32.0565 178.2834 17 L 3.9463 7.6211 119.1117 58.4369 42.2746 178.0243 18 Y 4.0937 8.2886 119.5067 60.5401 38.5185 177.5322 19 L 3.9473 8.0679 120.2662 58.1447 42.2226 178.2640 20 A 4.2883 7.8271 116.4915 51.3515 19.4536 177.1231 21 D 4.8332 6.8381 119.3087 54.4654 44.0874 175.4781 22 P 3.6587 0.0000 0.0000 61.3025 30.9844 176.8740 23 M 4.8259 7.3191 114.7770 56.9958 39.6940 176.7812 24 K 4.1711 8.1993 116.5953 58.1565 33.0586 177.2549 25 A 4.5785 7.3767 118.9759 52.9552 19.0313 177.3322 26 R 4.9035 8.8468 115.5665 54.8060 33.4359 174.2209 27 V 5.0922 8.4654 120.1814 60.1947 34.0238 175.0659 28 V 4.7156 8.7820 117.5496 59.4088 35.3128 174.3462 29 L 5.2953 8.4853 123.5839 53.3543 45.0220 175.5070 30 K 4.6170 8.8736 126.0615 54.9715 35.2864 173.8859 31 Y 5.0318 8.8722 128.5803 55.7201 40.9838 174.5523 32 R 4.2413 7.7367 126.6820 54.7021 32.3585 175.4678 33 H 3.6375 8.7017 127.4541 59.0432 30.1430 177.5429 34 S 4.1930 8.0380 112.0218 60.5407 62.7846 174.3553 35 D 4.5498 7.4839 118.5435 53.1732 42.0544 175.9324 36 G 3.6811 7.9411 106.4857 45.6547 0.0000 172.9632 37 N 5.0817 7.2804 113.9624 51.2469 41.3051 173.8490 38 L 4.9567 8.4065 122.4904 53.8358 46.0182 174.7711 39 C 4.8596 8.1067 116.2669 59.0018 34.8773 172.2829 40 V 4.8374 8.5243 127.6362 61.3104 33.6689 174.5138 41 K 5.1904 8.9670 127.1746 54.8491 36.2746 174.7958 42 V 5.0986 9.1625 126.6300 61.4600 34.4867 174.4898 43 T 5.7929 8.7787 117.2044 59.3534 72.0976 173.9455 44 D 4.7418 8.2802 117.0818 53.0424 42.7809 174.6261 45 D 4.6421 9.0155 116.0077 55.6594 37.8145 173.2772 46 L 4.4743 7.6438 121.6215 55.5616 46.0202 174.5565 47 V 4.5707 7.4593 118.2807 61.0324 34.8658 174.2626 48 C 5.1900 8.5886 126.0888 58.2340 34.3728 172.7100 49 L 5.2888 9.3588 126.8023 53.3422 44.4117 175.8332 50 V 4.8065 8.6232 121.2019 61.5312 35.5024 172.9596 51 Y 5.0752 9.0917 128.7024 55.6480 41.4627 174.1030 52 K 4.7657 8.2096 125.0516 55.0272 35.2812 175.3544 53 T 4.5681 8.0711 119.2217 62.3855 73.5996 174.3134 54 D 4.7058 8.3025 118.7190 53.6672 40.9987 174.5943 55 Q 4.4439 7.9236 119.4985 54.4468 30.0898 176.5623 56 A 4.0530 8.6116 126.6155 54.8914 18.6790 178.9156 57 Q 4.1084 8.1125 112.8428 58.6528 28.7267 177.8155 58 D 4.3974 8.1058 118.6417 56.0738 41.2774 178.3260 59 V 3.4443 7.4482 118.5813 66.0906 31.2602 178.1301 60 K 3.8538 7.7895 118.4882 59.4074 32.2864 178.6111 61 K 3.6750 7.8290 118.2325 59.5036 31.6635 179.1796 62 I 3.6533 7.5233 120.0703 64.3101 37.2336 178.0113 63 E 3.9161 8.3564 118.7758 59.6202 28.9020 179.5694 64 K 3.9217 8.2842 119.2962 59.2733 32.1898 178.6065 65 F 4.1827 8.2548 120.8458 62.0725 39.2006 176.8309 66 H 4.1443 8.8483 115.6349 59.3519 28.3968 177.8633 67 S 3.8884 7.9221 115.4432 61.6813 62.7930 176.9833 68 Q 4.0098 8.5137 121.0117 58.9986 28.7196 178.3975 69 L 3.4791 8.0437 120.3358 57.8250 41.3399 179.1727 70 M 4.0707 8.4292 117.3265 57.5620 32.3592 177.9006 71 R 4.0319 7.9909 119.5495 59.3380 30.3969 178.0204 72 L 3.9250 7.6401 118.2015 58.2858 41.5476 179.2861 73 M 4.2677 7.6482 116.6102 57.2561 31.8943 177.5338 74 V 4.2495 7.4154 116.0023 61.0345 32.2428 175.6001 75 A 4.2925 8.0143 129.1645 52.5787 18.9471 177.1105 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 2 P 0.00 4.39 0.00 1.78 2.14 0.00 3.87 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 2.02 1.96 0.00 3 Q 8.37 4.86 0.00 2.08 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.56 0.00 4 Y 9.33 4.78 0.00 2.89 2.87 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 5 Q 8.79 4.61 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.69 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 6 T 7.64 4.83 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 1.29 0.00 0.00 7 W 8.91 3.67 0.00 3.21 3.07 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 8 E 8.35 3.78 0.00 2.14 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 2.39 2.45 0.00 9 E 8.18 3.84 0.00 2.06 2.06 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 2.39 2.60 0.00 10 F 7.63 2.95 0.00 2.50 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 11 S 7.16 2.96 0.00 3.02 3.49 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 12 R 7.60 3.70 0.00 2.12 2.07 0.00 2.81 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.55 0.00 13 A 7.84 4.04 1.10 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 14 A 7.91 3.72 0.82 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 15 E 8.71 3.81 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 2.29 2.30 0.00 16 K 8.76 3.87 0.00 1.77 2.05 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.44 7.81 17 L 7.62 3.95 0.00 1.90 1.92 0.98 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 8.29 4.09 0.00 3.05 3.09 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 0.00 0.00 0.00 0.00 19 L 8.07 3.95 0.00 1.96 1.74 1.05 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.83 4.29 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 21 D 6.84 4.83 0.00 2.57 2.48 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 22 P 0.00 3.66 0.00 2.01 1.49 0.00 3.66 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.84 0.00 23 M 7.32 4.83 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 24 K 8.20 4.17 0.00 2.26 1.85 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.40 1.53 7.81 25 A 7.38 4.58 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.85 4.90 0.00 1.94 2.03 0.00 2.75 0.00 0.00 3.41 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 27 V 8.47 5.09 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.24 0.00 0.00 28 V 8.78 4.72 2.16 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 0.93 0.00 0.00 1.02 0.00 0.00 29 L 8.49 5.30 0.00 1.77 1.59 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.87 4.62 0.00 1.82 1.64 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.39 7.81 31 Y 8.87 5.03 0.00 2.95 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 32 R 7.74 4.24 0.00 1.73 1.57 0.00 3.08 0.00 0.00 3.22 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.43 0.00 33 H 8.70 3.64 0.00 3.46 3.30 0.00 5.93 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 34 S 8.04 4.19 0.00 3.99 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 D 7.48 4.55 0.00 2.54 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.94 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 37 N 7.28 5.08 0.00 2.81 2.77 0.00 0.00 5.56 6.67 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 38 L 8.41 4.96 0.00 1.79 1.52 1.05 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 39 C 8.11 4.86 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 40 V 8.52 4.84 2.42 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 1.30 0.00 0.00 1.21 0.00 0.00 41 K 8.97 5.19 0.00 1.92 1.65 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.54 7.81 42 V 9.16 5.10 2.25 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 1.15 0.00 0.00 1.16 0.00 0.00 43 T 8.78 5.79 4.36 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 1.28 0.00 0.00 44 D 8.28 4.74 0.00 2.63 2.65 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 45 D 9.02 4.64 0.00 2.90 2.82 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 46 L 7.64 4.47 0.00 1.68 1.72 0.94 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.46 4.57 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 1.03 0.00 0.00 0.96 0.00 0.00 48 C 8.59 5.19 0.00 3.01 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 49 L 9.36 5.29 0.00 1.95 1.90 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.62 4.81 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 0.90 0.00 0.00 0.97 0.00 0.00 51 Y 9.09 5.08 0.00 1.63 2.42 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 0.00 52 K 8.21 4.77 0.00 1.47 1.50 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.23 1.34 7.81 53 T 8.07 4.57 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 1.25 0.00 0.00 54 D 8.30 4.71 0.00 2.80 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 55 Q 7.92 4.44 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.93 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 56 A 8.61 4.05 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.11 4.11 0.00 2.16 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.91 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 58 D 8.11 4.40 0.00 2.86 2.66 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 59 V 7.45 3.44 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 1.00 0.00 0.00 0.97 0.00 0.00 60 K 7.79 3.85 0.00 1.80 1.70 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.49 7.81 61 K 7.83 3.68 0.00 1.00 0.76 0.00 1.44 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.45 7.81 62 I 7.52 3.65 1.88 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 1.24 0.25 1.00 0.00 0.00 63 E 8.36 3.92 0.00 2.18 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.62 0.00 64 K 8.28 3.92 0.00 2.15 1.97 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.52 1.61 7.81 65 F 8.25 4.18 0.00 3.87 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.85 4.14 0.00 3.42 3.38 0.00 5.88 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 7.92 3.89 0.00 4.02 3.94 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 68 Q 8.51 4.01 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 69 L 8.04 3.48 0.00 1.20 1.27 0.32 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 70 M 8.43 4.07 0.00 1.91 2.10 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 71 R 7.99 4.03 0.00 1.96 1.97 0.00 3.12 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 72 L 7.64 3.93 0.00 1.53 1.76 0.72 0.92 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 73 M 7.65 4.27 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.56 0.00 74 V 7.42 4.25 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 0.77 0.00 0.00 0.92 0.00 0.00 75 A 8.01 4.29 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00