NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3071 8.3001 120.3490 55.5717 34.2718 178.5723 2 A 4.1810 7.9085 125.6331 50.6036 20.7306 171.4116 3 V 4.4455 7.7851 115.8788 60.2779 35.2528 172.3809 4 P 4.4785 0.0000 0.0000 62.4846 32.8217 174.2936 5 K 3.8022 8.7830 121.5352 58.1126 30.9914 178.0169 6 K 4.1655 8.7918 121.6349 56.1313 33.4436 176.9962 7 R 4.3747 8.4041 124.3329 54.7439 29.5914 176.2526 8 T 3.8631 8.5323 114.6163 62.8362 68.1766 174.0495 9 S 3.7686 7.7192 116.4559 59.0300 61.9989 172.0252 10 I 3.6853 7.5518 122.5598 62.3948 40.0961 176.5511 11 Y 3.6234 8.4752 127.0386 58.6422 37.7257 171.9665 12 K 3.8325 8.8416 117.7998 59.1802 32.9398 177.0408 13 K 3.8088 7.4337 118.0559 59.7220 32.1580 178.5746 14 R 4.0350 7.8289 117.1063 59.3993 30.2283 178.6478 15 I 3.7763 7.4656 118.9208 64.2612 36.8040 178.5140 16 R 4.2573 7.3227 116.1405 56.5939 29.1879 177.1039 17 K 4.5345 8.1325 115.2633 56.0515 33.3217 176.8493 18 N 4.6132 7.9638 119.0413 54.8383 38.0879 177.3250 19 I 3.7228 7.5307 111.0724 62.7089 37.5944 175.8707 20 W 5.5192 7.6933 120.6712 56.0763 29.5398 176.3382 21 K 3.9616 7.6755 118.9335 56.2408 32.1802 175.9178 22 K 3.9830 8.5911 122.9593 57.0279 31.5530 177.7565 23 K 4.3555 8.4164 125.6494 54.8348 30.1421 175.9592 24 G 3.5012 8.3162 109.3328 47.7078 0.0000 172.1495 25 Y 3.7451 8.4839 117.3518 57.8410 35.9660 171.5340 26 W 3.9718 8.2506 135.0000 57.8878 29.1047 174.4129 27 A 4.2683 7.2605 125.4533 51.2057 21.1465 176.0081 28 A 4.3039 8.3846 122.2612 51.6180 19.4377 176.7901 29 L 4.0100 8.3209 115.9118 57.7734 40.6814 178.7335 30 K 3.7672 7.9784 117.9647 56.0450 30.3737 176.6318 31 A 4.0098 7.6536 122.0921 51.4127 18.8539 177.3844 32 F 4.2550 8.2121 114.2667 59.0772 39.1463 175.0751 33 S 4.5010 8.7746 120.3620 57.8129 63.1713 169.8287 34 L 3.3657 8.2497 129.9552 56.2077 42.8519 173.8916 35 A 4.2660 8.3761 126.3906 52.9625 16.2927 177.6864 36 K 4.6451 7.3889 118.7948 57.7344 34.0436 179.3712 37 S 3.9293 8.5043 113.7284 59.5722 61.2688 169.6570 38 L 4.4153 8.0203 126.5768 51.4973 49.6675 171.2502 39 S 3.8063 8.2866 121.2499 57.1210 63.5858 171.8646 40 T 3.9622 8.3653 119.2939 61.9279 67.3355 173.8440 41 G 3.5410 8.2116 113.9124 48.5291 0.0000 173.7710 42 N 4.4760 7.8157 119.5519 52.1151 39.7787 174.8382 43 S 4.1009 8.4357 116.4235 58.9411 63.1620 173.3652 44 K 4.5727 7.9219 122.0562 54.3194 35.4305 175.3042 45 S 4.2196 8.6310 114.2634 58.9320 62.7767 175.1259 46 F 4.5267 9.0753 122.2324 57.1133 40.2205 173.6164 47 F 4.7924 8.7106 119.9447 56.3300 40.8846 175.9177 48 V 4.2534 7.9054 123.2281 61.9483 34.7557 171.4617 49 R 3.8647 8.8876 118.2366 56.7798 30.3041 175.2678 50 K 3.8084 8.5474 121.4372 56.7453 32.0492 175.6972 51 I 4.4843 7.7257 122.9256 60.0301 40.8572 176.9634 52 S 4.0971 8.7561 119.0478 59.0357 61.3748 170.9870 53 N 4.5837 7.6404 117.8325 52.5623 38.9524 175.2398 54 Q 4.0505 8.7673 123.6099 58.3936 29.4941 175.9712 55 T 4.6238 7.6130 109.7052 59.9921 70.1794 172.1915 56 L 4.7071 7.9801 124.7515 52.4205 44.6525 176.4207 57 E 4.1099 8.5300 119.0507 56.7526 29.6064 176.1253 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 8.30 4.31 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.61 0.00 2 A 7.91 4.18 1.29 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 0.00 0.00 3 V 7.79 4.45 2.08 0.00 0.00 0.00 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 0.93 0.00 0.00 4 P 0.00 4.48 0.00 2.22 2.04 0.00 3.81 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 5 K 8.78 3.80 0.00 1.77 1.65 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.40 7.81 6 K 8.79 4.17 0.00 1.75 1.76 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.40 7.81 7 R 8.40 4.37 0.00 1.80 1.92 0.00 3.22 0.00 0.00 3.28 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 8 T 8.53 3.86 4.31 0.00 0.00 0.00 0.00 0.00 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 9 S 7.72 3.77 0.00 4.09 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 10 I 7.55 3.69 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.72 1.04 0.00 0.00 11 Y 8.48 3.62 0.00 3.20 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 12 K 8.84 3.83 0.00 1.81 1.77 0.00 1.67 0.00 0.00 1.93 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.75 1.57 7.81 13 K 7.43 3.81 0.00 1.79 1.95 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.48 7.81 14 R 7.83 4.03 0.00 1.91 1.95 0.00 3.28 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 15 I 7.47 3.78 1.72 0.00 0.00 0.13 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 0.37 0.76 0.00 0.00 16 R 7.32 4.26 0.00 1.77 1.78 0.00 3.00 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 17 K 8.13 4.53 0.00 1.81 1.79 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.60 1.47 7.81 18 N 7.96 4.61 0.00 2.84 3.01 0.00 0.00 5.92 7.68 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 19 I 7.53 3.72 1.37 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.09 0.74 0.00 0.00 20 W 7.69 5.52 0.00 3.28 3.06 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 0.00 0.00 0.00 21 K 7.68 3.96 0.00 1.89 1.82 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.47 7.81 22 K 8.59 3.98 0.00 1.80 1.85 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.58 7.81 23 K 8.42 4.36 0.00 1.89 2.13 0.00 1.78 0.00 0.00 2.01 0.00 0.00 3.31 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.76 1.76 7.81 24 G 8.32 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.48 3.75 0.00 3.22 3.28 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 26 W 8.25 3.97 0.00 3.43 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 27 A 7.26 4.27 1.33 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 0.00 0.00 28 A 8.38 4.30 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 29 L 8.32 4.01 0.00 1.75 1.78 0.92 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 30 K 7.98 3.77 0.00 1.99 1.86 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.37 1.43 7.81 31 A 7.65 4.01 1.07 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 32 F 8.21 4.25 0.00 3.06 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 33 S 8.77 4.50 0.00 3.97 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 34 L 8.25 3.37 0.00 1.79 1.41 0.81 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.38 4.27 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 36 K 7.39 4.65 0.00 2.01 2.37 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.61 1.75 7.81 37 S 8.50 3.93 0.00 4.09 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 38 L 8.02 4.42 0.00 1.60 1.54 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.29 3.81 0.00 4.18 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 40 T 8.37 3.96 4.23 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 0.00 0.00 0.00 1.24 0.00 0.00 41 G 8.21 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.82 4.48 0.00 2.74 2.76 0.00 0.00 6.95 7.63 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 43 S 8.44 4.10 0.00 3.97 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 44 K 7.92 4.57 0.00 1.64 1.64 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.27 1.39 7.81 45 S 8.63 4.22 0.00 4.02 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 46 F 9.08 4.53 0.00 3.02 3.26 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 0.00 47 F 8.71 4.79 0.00 2.98 3.05 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 48 V 7.91 4.25 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 0.68 0.00 0.00 0.96 0.00 0.00 49 R 8.89 3.86 0.00 1.83 1.94 0.00 3.42 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 50 K 8.55 3.81 0.00 1.73 1.84 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.47 7.81 51 I 7.73 4.48 1.94 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 1.37 0.91 0.00 0.00 52 S 8.76 4.10 0.00 4.06 4.02 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 53 N 7.64 4.58 0.00 2.72 2.82 0.00 0.00 6.89 7.08 0.00 0.00 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 Q 8.77 4.05 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 55 T 7.61 4.62 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 56 L 7.98 4.71 0.00 1.62 1.57 0.92 0.89 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 57 E 8.53 4.11 0.00 1.93 1.83 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 2.29 2.30 0.00