NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.3938 0.0000 0.0000 61.9457 32.5189 176.0685 4 R 3.9100 8.3483 123.7201 54.8814 29.2021 175.6799 5 P 4.3076 0.0000 0.0000 65.1648 31.6617 178.1792 6 L 4.1602 7.7768 119.0419 57.7423 42.0852 178.3277 7 D 4.4185 8.0527 119.1988 57.1762 40.5637 178.7949 8 V 3.6236 7.0616 117.3665 65.6804 31.5100 177.4740 9 L 4.0119 7.1423 118.4404 57.3302 42.1105 178.1753 10 N 4.8979 7.9019 117.6501 56.6190 38.7718 177.7644 11 R 4.3612 7.7871 111.9222 56.8883 29.3013 176.5100 12 S 4.7427 8.1641 112.8362 58.6281 62.7421 174.1872 13 L 4.3411 7.8568 121.2830 55.7327 41.9834 177.3289 14 K 4.0008 9.3544 120.8699 57.4539 30.1884 175.4879 15 S 4.9915 7.3326 112.4575 55.7257 67.5752 171.4295 16 P 4.9887 0.0000 0.0000 62.7553 32.3014 175.6214 17 V 4.9891 9.1706 118.0312 59.3565 35.9929 174.5678 18 I 4.8902 9.6324 124.0348 59.6093 39.9840 174.8283 19 V 4.5348 9.1365 127.6614 61.0421 33.8430 174.3047 20 R 4.2782 7.6689 130.2028 55.3002 30.1820 174.9774 21 L 5.0015 8.3408 127.4236 52.9556 43.7094 176.3797 22 K 3.8484 8.6974 123.7953 58.0110 32.7347 176.5910 23 G 4.0520 9.7898 114.9237 45.6416 0.0000 174.1524 24 G 4.0662 7.1693 113.7973 45.0575 0.0000 174.1401 25 R 3.8355 7.0401 117.7147 53.7808 31.4131 174.6808 26 E 5.2524 9.3495 125.1541 54.5319 33.8551 174.1039 27 F 5.1637 9.2394 120.8294 55.6816 43.7593 174.0927 28 R 4.8278 8.3943 121.8938 55.3652 33.2700 174.2306 29 G 4.0351 8.4913 112.8333 46.8680 0.0000 170.8859 30 T 5.1335 7.8998 117.3212 61.8078 70.8338 174.1429 31 L 4.5014 8.5011 128.8813 55.2426 42.3142 176.3427 32 D 4.5148 9.0986 127.6154 56.0814 42.4501 175.7679 33 G 4.1004 7.3726 103.6038 46.3316 0.0000 171.2932 34 Y 5.1431 7.6342 116.8042 57.4956 40.4247 172.0470 35 D 5.0439 8.1992 118.2676 51.2253 42.7158 176.3335 36 I 3.7306 8.3704 118.7688 64.8021 36.9059 176.9520 37 H 4.6032 8.1915 115.1747 55.7614 28.6750 175.6358 38 M 3.2673 8.1550 117.7826 56.1761 29.8173 176.7394 39 N 4.8357 9.0391 116.5603 53.6383 40.0532 174.0811 40 L 5.1645 9.0004 120.4909 53.1100 46.9201 176.0948 41 V 4.7967 8.3373 119.1667 61.6843 34.3856 174.0127 42 L 5.9459 8.6581 127.9515 52.3023 44.8587 175.8197 43 L 5.1878 8.1793 120.2399 53.0945 45.9197 175.8041 44 D 4.2507 8.2883 118.2899 55.4250 39.2245 173.8217 45 A 4.9716 7.5999 119.1366 50.9860 21.6170 177.2381 46 E 4.7134 8.8354 119.3872 54.2353 32.7218 175.6395 47 E 3.2744 8.7796 125.9410 56.0026 31.5173 175.8471 48 I 4.8761 8.2380 125.3948 60.2745 41.4683 173.9605 49 Q 4.8350 8.8168 126.2774 55.0970 31.6529 177.5669 50 N 4.1699 9.7545 117.2349 53.9623 37.6048 173.7802 51 G 3.3720 6.8498 108.9071 44.9801 0.0000 172.7440 52 E 4.6753 7.6172 120.9083 53.7046 33.1720 174.3196 53 V 4.7044 8.1432 120.9363 62.8305 32.1812 175.3725 54 V 4.2818 7.8391 125.2859 64.1540 33.2327 175.5590 55 R 4.4280 7.1765 113.2757 55.5423 31.8214 173.4158 56 K 5.0128 8.7050 121.0104 55.0498 34.9657 175.3393 57 V 4.5521 8.6480 116.4470 59.6294 36.0664 176.7777 58 G 3.7865 8.9152 110.2753 49.3581 0.0000 173.3217 59 S 5.3389 7.8323 111.5809 57.9606 65.8260 175.2971 60 V 4.4677 8.5622 113.6476 60.2752 36.3856 173.4773 61 V 4.6361 8.3984 125.3951 61.6335 32.7472 174.7355 62 I 4.4201 8.6632 129.1197 59.2886 40.0546 175.4537 63 R 4.5299 8.4567 125.8635 55.6814 30.7310 178.0893 64 G 3.7338 9.1408 111.8478 47.7022 0.0000 174.9566 65 D 4.2608 8.2771 119.1370 57.3194 41.2654 176.9574 66 T 4.3485 7.8111 106.6457 61.2216 69.0494 173.6798 67 V 4.2388 7.6338 122.8554 62.2189 32.4694 175.5149 68 V 4.2052 8.5973 127.8493 64.8301 32.5459 175.5544 69 F 4.9359 7.1409 112.2650 56.1677 40.7471 173.0588 70 V 5.2544 8.6080 119.0084 61.5464 34.1607 174.4584 71 S 4.9065 9.1225 120.4010 56.2606 66.6827 171.6246 72 P 4.6100 0.0000 0.0000 62.3882 32.1799 175.9863 73 A 4.2794 8.7382 123.6298 52.4571 17.8983 177.3156 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 3 P 0.00 4.39 0.00 2.05 2.08 0.00 3.64 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 1.92 2.11 0.00 4 R 8.35 3.91 0.00 2.29 1.85 0.00 3.30 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 5 P 0.00 4.31 0.00 2.13 2.08 0.00 3.57 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 2.10 2.13 0.00 6 L 7.78 4.16 0.00 1.72 1.63 0.81 1.33 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 7 D 8.05 4.42 0.00 2.89 2.70 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 0.00 0.00 0.00 0.00 8 V 7.06 3.62 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 0.77 0.00 0.00 0.97 0.00 0.00 9 L 7.14 4.01 0.00 1.44 1.36 0.80 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 10 N 7.90 4.90 0.00 3.05 3.06 0.00 0.00 6.82 7.81 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 11 R 7.79 4.36 0.00 2.02 2.03 0.00 3.03 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.73 0.00 12 S 8.16 4.74 0.00 3.98 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 13 L 7.86 4.34 0.00 1.76 1.62 0.95 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 14 K 9.35 4.00 0.00 1.89 1.94 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.41 7.81 15 S 7.33 4.99 0.00 3.91 3.74 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 16 P 0.00 4.99 0.00 2.14 2.21 0.00 3.65 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 2.08 2.01 0.00 17 V 9.17 4.99 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 0.80 0.00 0.00 1.02 0.00 0.00 18 I 9.63 4.89 2.10 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.88 1.07 0.00 0.00 19 V 9.14 4.53 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 0.92 0.00 0.00 0.93 0.00 0.00 20 R 7.67 4.28 0.00 1.17 0.66 0.00 3.29 0.00 0.00 3.18 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.42 0.00 21 L 8.34 5.00 0.00 1.81 1.59 0.84 0.63 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 22 K 8.70 3.85 0.00 1.72 1.84 0.00 1.57 0.00 0.00 1.70 0.00 0.00 3.15 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.41 7.81 23 G 9.79 4.05 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 0.00 0.00 0.00 24 G 7.17 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 25 R 7.04 3.84 0.00 1.89 1.86 0.00 3.19 0.00 0.00 3.40 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.70 0.00 26 E 9.35 5.25 0.00 1.98 1.70 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 0.00 2.19 2.20 0.00 27 F 9.24 5.16 0.00 3.06 2.88 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 28 R 8.39 4.83 0.00 1.78 1.70 0.00 3.13 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 29 G 8.49 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 0.00 0.00 0.00 30 T 7.90 5.13 4.27 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 1.28 0.00 0.00 31 L 8.50 4.50 0.00 1.83 1.80 1.06 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 32 D 9.10 4.51 0.00 2.69 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 33 G 7.37 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 34 Y 7.63 5.14 0.00 3.01 2.95 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 35 D 8.20 5.04 0.00 2.88 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 36 I 8.37 3.73 1.67 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 1.39 0.43 0.86 0.00 0.00 37 H 8.19 4.60 0.00 3.32 3.30 0.00 5.72 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 38 M 8.16 3.27 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 39 N 9.04 4.84 0.00 2.98 2.81 0.00 0.00 6.79 6.90 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 40 L 9.00 5.16 0.00 1.45 1.51 0.88 0.85 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 41 V 8.34 4.80 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 1.03 0.00 0.00 0.92 0.00 0.00 42 L 8.66 5.95 0.00 1.70 1.60 1.04 0.38 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 43 L 8.18 5.19 0.00 1.57 1.53 0.98 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.29 4.25 0.00 2.79 2.72 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 0.00 0.00 0.00 45 A 7.60 4.97 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 46 E 8.84 4.71 0.00 1.78 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 2.16 2.18 0.00 47 E 8.78 3.27 0.00 1.61 1.67 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 2.13 1.97 0.00 48 I 8.24 4.88 1.79 0.00 0.00 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 1.14 0.40 0.95 0.00 0.00 49 Q 8.82 4.84 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 5.97 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 50 N 9.75 4.17 0.00 2.84 2.94 0.00 0.00 7.02 7.65 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 51 G 6.85 3.37 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 0.00 52 E 7.62 4.68 0.00 1.93 1.71 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 2.24 2.25 0.00 53 V 8.14 4.70 2.04 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 0.93 0.00 0.00 0.87 0.00 0.00 54 V 7.84 4.28 2.01 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 0.86 0.00 0.00 0.88 0.00 0.00 55 R 7.18 4.43 0.00 1.84 1.92 0.00 2.98 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.44 0.00 56 K 8.71 5.01 0.00 1.72 1.68 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.62 7.81 57 V 8.65 4.55 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 0.72 0.00 0.00 1.11 0.00 0.00 58 G 8.92 3.79 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 0.00 0.00 0.00 59 S 7.83 5.34 0.00 3.85 3.81 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 60 V 8.56 4.47 1.94 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 0.86 0.00 0.00 1.01 0.00 0.00 61 V 8.40 4.64 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 0.77 0.00 0.00 0.92 0.00 0.00 62 I 8.66 4.42 1.72 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.19 0.73 0.00 0.00 63 R 8.46 4.53 0.00 1.79 1.82 0.00 3.27 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.54 0.00 64 G 9.14 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 65 D 8.28 4.26 0.00 2.63 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 66 T 7.81 4.35 4.20 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 0.00 0.00 0.00 1.19 0.00 0.00 67 V 7.63 4.24 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 0.72 0.00 0.00 0.93 0.00 0.00 68 V 8.60 4.21 2.10 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 0.97 0.00 0.00 0.94 0.00 0.00 69 F 7.14 4.94 0.00 3.07 3.11 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 70 V 8.61 5.25 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 0.89 0.00 0.00 0.92 0.00 0.00 71 S 9.12 4.91 0.00 3.91 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 72 P 0.00 4.61 0.00 2.11 2.11 0.00 3.79 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 1.99 1.98 0.00 73 A 8.74 4.28 1.25 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 0.00 0.00