NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8978 8.3393 109.7355 45.1688 0.0000 173.1950 2 S 4.1639 7.9679 119.0856 57.7616 64.0421 172.8721 3 S 4.6233 8.3029 114.5639 55.9770 65.9525 175.0614 4 G 3.7251 8.6553 116.0514 45.1284 0.0000 173.1785 5 S 4.0673 8.4124 118.7151 57.9411 63.7793 174.5217 6 S 4.4432 8.3855 117.1233 57.8697 62.5360 173.1189 7 G 3.9113 7.1033 124.2949 44.8559 0.0000 171.5535 8 M 4.6596 7.9952 118.9119 52.5545 34.9536 175.1543 9 E 4.5276 8.5757 123.6290 53.7793 31.2545 174.3619 10 P 4.3884 0.0000 0.0000 62.0417 32.3446 175.0359 11 A 4.3178 8.1113 120.9824 51.6531 19.7711 176.6955 12 G 4.2054 8.4017 104.2474 43.8331 0.0000 170.8551 13 P 4.7953 0.0000 0.0000 62.3099 31.7760 175.0510 14 C 3.6076 9.1598 127.2068 59.9242 31.3584 173.7632 15 G 3.6261 8.3350 116.3339 47.8442 0.0000 174.6287 16 F 4.4486 7.4454 117.7888 60.7601 39.0713 175.9734 17 C 4.4244 7.4971 115.4640 58.7266 28.6527 171.6851 18 P 4.3358 0.0000 0.0000 62.4168 31.6316 175.4324 19 A 3.9315 8.3195 123.1602 53.5982 18.7975 175.5861 20 G 4.3483 9.2339 114.3020 46.2065 0.0000 174.7026 21 E 4.2926 7.8686 118.9802 55.7501 29.3546 177.7127 22 V 3.8382 7.6308 118.8862 62.6979 32.4453 174.5791 23 Q 4.8205 8.3243 125.8146 53.0865 32.5310 173.4345 24 P 4.5724 0.0000 0.0000 62.6925 31.4030 175.8893 25 A 4.1956 9.1922 129.2546 52.3645 16.6515 177.9365 26 R 3.5953 7.9552 120.1725 58.5092 30.9042 176.3811 27 Y 4.7448 6.1621 115.4094 56.7510 41.2457 174.6879 28 T 4.8705 7.7873 114.6119 62.3398 72.9032 173.5753 29 C 4.4948 9.6270 126.8596 59.0690 32.2812 172.3545 30 P 4.5082 0.0000 0.0000 63.8355 31.0375 176.7698 31 R 4.5142 7.8612 117.9388 57.1390 32.1892 176.2035 32 C 4.6978 7.8572 109.3898 57.3147 30.8425 173.7558 33 N 4.0018 8.2643 116.4735 54.9853 37.3750 174.3838 34 A 4.9213 7.5672 121.7510 49.4920 21.7614 175.7194 35 P 5.2690 0.0000 0.0000 62.8838 31.6461 175.4835 36 Y 5.1425 7.9463 123.0003 55.0232 40.5825 176.2447 37 C 4.0972 9.3026 118.4760 61.0125 30.0613 173.5825 38 S 4.9801 7.9693 112.3729 55.2354 66.3784 173.4777 39 L 3.9092 8.7318 123.6188 58.5759 41.9387 178.2733 40 R 4.0115 8.2882 116.8902 60.2435 30.0093 178.3398 41 C 4.1839 8.1576 115.1010 63.2140 28.0469 175.3036 42 Y 4.1556 7.9473 121.0553 60.7094 37.7533 178.3680 43 R 3.7954 7.4376 117.0166 58.0156 30.7166 178.1995 44 T 3.8933 7.5388 114.5560 66.9045 68.9025 175.1101 45 H 3.4392 7.9443 116.1614 57.5981 27.9640 175.0505 46 G 3.7766 6.1798 105.4723 44.3090 0.0000 172.1644 47 T 4.3486 7.7193 107.4954 61.4535 69.7411 177.2211 48 C 4.0030 7.7973 121.8267 63.8001 28.9233 175.9528 49 A 4.0032 7.7224 121.6096 54.5009 18.0364 178.8767 50 E 4.0082 7.6311 114.4142 59.7828 30.0358 178.8543 51 N 4.8906 7.6333 114.7210 52.7941 38.1757 174.5463 52 F 4.8156 7.9880 120.2223 60.3411 42.0669 175.0524 53 Y 3.8041 7.4149 116.2456 60.4587 37.7295 177.8475 54 S 3.7022 8.1413 110.6945 59.5569 60.7158 171.3050 55 G 4.2465 7.6726 105.8923 42.6079 0.0000 172.5372 56 P 4.5144 0.0000 0.0000 63.8409 31.5786 177.9505 57 S 4.1392 7.8246 116.0720 61.9604 62.9597 174.5107 58 S 4.0437 7.6940 113.0513 58.1722 62.9062 174.3291 59 G 3.7393 8.4737 113.3193 45.7340 0.0000 172.7739 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 G 8.34 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 2 S 7.97 4.16 0.00 4.06 3.90 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 0.00 0.00 0.00 3 S 8.30 4.62 0.00 3.78 3.71 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 4 G 8.66 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 5 S 8.41 4.07 0.00 3.86 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.39 4.44 0.00 3.97 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 7 G 7.10 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 8 M 8.00 4.66 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 9 E 8.58 4.53 0.00 1.93 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 0.00 2.22 2.26 0.00 10 P 0.00 4.39 0.00 2.13 2.05 0.00 3.74 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 1.95 1.93 0.00 11 A 8.11 4.32 1.18 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 0.00 0.00 0.00 12 G 8.40 4.21 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 0.00 13 P 0.00 4.80 0.00 2.02 2.06 0.00 3.72 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.91 0.00 14 C 9.16 3.61 0.00 3.00 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 15 G 8.33 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.45 4.45 0.00 3.15 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 17 C 7.50 4.42 0.00 3.22 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 18 P 0.00 4.34 0.00 2.24 2.20 0.00 3.78 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 1.99 0.00 19 A 8.32 3.93 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 20 G 9.23 4.35 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 0.00 21 E 7.87 4.29 0.00 2.08 1.99 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 2.34 2.26 0.00 22 V 7.63 3.84 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 0.81 0.00 0.00 0.92 0.00 0.00 23 Q 8.32 4.82 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.90 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 24 P 0.00 4.57 0.00 1.97 2.05 0.00 3.74 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.92 0.00 25 A 9.19 4.20 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 26 R 7.96 3.60 0.00 0.76 1.42 0.00 2.97 0.00 0.00 3.08 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.57 0.00 27 Y 6.16 4.74 0.00 1.64 2.45 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 0.00 28 T 7.79 4.87 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 1.27 0.00 0.00 29 C 9.63 4.49 0.00 3.22 2.98 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 30 P 0.00 4.51 0.00 2.13 2.08 0.00 3.68 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.62 0.00 31 R 7.86 4.51 0.00 1.74 1.97 0.00 3.36 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 32 C 7.86 4.70 0.00 3.05 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 33 N 8.26 4.00 0.00 2.76 2.92 0.00 0.00 6.88 7.57 0.00 0.00 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 A 7.57 4.92 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 5.27 0.00 1.98 2.02 0.00 3.34 0.00 0.00 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.70 0.00 36 Y 7.95 5.14 0.00 3.30 3.35 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 37 C 9.30 4.10 0.00 3.31 3.16 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 0.00 0.00 0.00 0.00 38 S 7.97 4.98 0.00 4.01 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 39 L 8.73 3.91 0.00 1.70 1.75 1.07 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 40 R 8.29 4.01 0.00 1.94 2.02 0.00 3.39 0.00 0.00 3.38 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.76 0.00 41 C 8.16 4.18 0.00 3.23 3.29 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 0.00 42 Y 7.95 4.16 0.00 1.43 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 43 R 7.44 3.80 0.00 1.99 1.87 0.00 3.29 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.88 0.00 44 T 7.54 3.89 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 1.17 0.00 0.00 45 H 7.94 3.44 0.00 1.40 2.35 0.00 5.60 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 6.18 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 0.00 0.00 0.00 47 T 7.72 4.35 4.15 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 1.10 0.00 0.00 48 C 7.80 4.00 0.00 2.86 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 49 A 7.72 4.00 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 50 E 7.63 4.01 0.00 2.07 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 0.00 2.36 2.45 0.00 51 N 7.63 4.89 0.00 2.72 2.82 0.00 0.00 6.87 8.37 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 52 F 7.99 4.82 0.00 2.75 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 7.41 3.80 0.00 2.96 2.85 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 54 S 8.14 3.70 0.00 4.06 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 55 G 7.67 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 0.00 0.00 0.00 0.00 56 P 0.00 4.51 0.00 2.17 2.16 0.00 3.74 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 1.96 1.97 0.00 57 S 7.82 4.14 0.00 3.78 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 58 S 7.69 4.04 0.00 3.86 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 59 G 8.47 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 0.00 0.00 0.00