NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3537 8.0333 117.3234 63.5723 70.7538 172.4500 2 M 4.3408 9.1059 126.5113 54.7396 33.1819 173.4985 3 C 5.4560 9.2407 120.3567 55.3389 45.6435 172.0555 4 Y 5.1841 8.9690 117.4338 57.0136 39.4025 175.8376 5 S 4.8583 9.1695 117.1858 56.4820 65.9512 172.5140 6 H 4.8657 8.3483 121.5958 56.1482 31.7585 174.4821 7 T 4.7991 8.3106 110.9408 61.1161 70.7770 174.5427 8 T 4.3268 8.4774 111.5824 63.0671 69.3077 174.7911 9 T 4.5818 7.6928 110.5242 61.1657 69.5467 173.2206 10 S 4.7441 7.8219 115.0677 56.4737 65.4061 173.2508 11 R 4.0726 8.2161 123.6939 55.2854 30.7124 176.1400 12 A 4.3827 8.2114 123.5014 52.0037 18.2407 177.2702 13 I 4.3054 8.6502 122.6558 61.1150 39.8139 175.0747 14 L 4.9390 8.3613 125.7656 53.8756 43.6795 175.4832 15 T 4.5657 8.2685 123.6069 61.2287 71.5004 173.0262 16 N 4.3577 8.8757 125.4736 54.2433 39.2275 174.9368 17 C 4.5853 9.5352 124.2759 56.0429 41.2824 175.2582 18 G 3.7020 7.9632 108.8779 46.7730 0.0000 175.7356 19 E 4.3137 8.5095 114.4476 54.5356 28.0235 174.3182 20 N 4.9544 7.8576 116.3702 51.9197 43.1650 173.5185 21 S 4.9010 8.4423 115.7512 57.8640 65.0265 171.9700 22 C 5.8537 9.0268 116.3004 52.9871 43.5226 172.9494 23 Y 5.4686 8.7726 119.5325 55.4769 41.4857 174.3926 24 R 4.3920 8.5526 119.3267 55.9376 32.5890 173.7940 25 K 4.8802 9.4661 130.7859 55.1891 33.5080 175.3826 26 S 5.2022 8.9448 121.9919 56.0131 66.9534 173.3742 27 R 4.3022 8.8879 122.1371 56.7324 29.9639 176.5452 28 R 4.0209 8.7830 127.5074 59.5356 30.3070 176.3104 29 H 5.0139 7.8286 114.0021 52.9711 30.7913 172.9605 30 P 4.3408 0.0000 0.0000 62.7096 31.6485 174.4178 31 P 4.4452 0.0000 0.0000 62.2273 32.1945 178.0963 32 K 4.5109 8.3658 124.7189 56.2627 30.2852 176.4976 33 M 4.2846 7.6047 121.0367 55.1409 33.9234 176.5207 34 V 4.1550 8.2827 122.6984 62.1621 32.4480 175.4093 35 L 4.5924 8.9789 127.7561 54.6045 42.4597 175.9743 36 G 3.8611 7.9354 106.6852 43.8827 0.0000 173.6183 37 R 4.3722 7.2660 119.9895 54.2288 34.8457 174.7926 38 G 3.7671 5.9615 105.1148 46.1820 0.0000 172.0282 39 C 4.8783 8.9206 118.2601 56.9427 38.1991 174.4352 40 G 3.8399 10.0334 109.0263 45.5152 0.0000 172.2881 41 C 4.9472 8.1509 117.7723 54.3966 44.1765 171.4127 42 P 4.6014 0.0000 0.0000 60.5164 32.3671 174.3834 43 P 4.3175 0.0000 0.0000 62.4879 32.0030 176.4015 44 G 4.0182 8.3215 111.9715 43.8859 0.0000 170.8456 45 D 4.9565 7.7355 117.7280 50.8734 42.4310 175.9742 46 D 4.3879 8.6905 117.7485 56.4763 39.3533 177.4624 47 N 4.6839 8.2148 117.1274 55.3376 39.5452 175.2834 48 L 5.5641 8.2072 119.8283 54.5906 43.9922 175.4715 49 E 4.3267 8.9273 123.3605 56.3605 31.1066 176.3647 50 V 5.2183 8.2112 123.9819 60.7006 33.7844 175.0485 51 K 4.4992 8.5752 131.4411 54.6769 33.3506 173.9811 52 C 5.6672 8.8341 121.3640 54.6393 38.3525 172.0704 53 C 5.2640 9.0116 117.4679 53.9432 44.6976 174.3796 54 T 4.3414 8.4835 105.0774 61.6407 70.2452 174.0962 55 S 4.6944 7.8112 114.2017 56.4692 65.9450 172.7456 56 P 4.8412 0.0000 0.0000 62.2005 32.0104 174.7793 57 D 4.4245 8.5592 118.0036 55.2309 41.6502 175.3397 58 K 3.9930 9.5067 119.2627 57.4672 30.4384 175.3124 59 C 4.5832 7.8958 115.1064 58.0022 41.7653 173.2980 60 N 4.7827 7.9993 117.2227 53.1710 37.6576 174.2625 61 Y 4.0769 7.6409 124.3170 59.0609 38.8001 174.8636 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 T 8.03 4.35 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 1.30 0.00 0.00 2 M 9.11 4.34 0.00 1.81 1.99 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.68 0.00 3 C 9.24 5.46 0.00 2.83 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 4 Y 8.97 5.18 0.00 2.79 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 5 S 9.17 4.86 0.00 3.79 3.64 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 6 H 8.35 4.87 0.00 3.37 3.47 0.00 5.30 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.31 4.80 4.26 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 1.23 0.00 0.00 8 T 8.48 4.33 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 1.28 0.00 0.00 9 T 7.69 4.58 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 1.22 0.00 0.00 10 S 7.82 4.74 0.00 3.82 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 11 R 8.22 4.07 0.00 1.78 1.80 0.00 3.31 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 12 A 8.21 4.38 1.15 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 0.00 0.00 0.00 13 I 8.65 4.31 1.90 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 1.32 0.98 0.92 0.00 0.00 14 L 8.36 4.94 0.00 1.49 1.46 0.16 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.27 4.57 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 1.20 0.00 0.00 16 N 8.88 4.36 0.00 2.69 2.74 0.00 0.00 7.20 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 17 C 9.54 4.59 0.00 3.10 3.08 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 0.00 0.00 0.00 0.00 18 G 7.96 3.70 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 0.00 0.00 0.00 19 E 8.51 4.31 0.00 1.97 1.93 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 2.29 2.29 0.00 20 N 7.86 4.95 0.00 2.69 2.79 0.00 0.00 7.07 7.51 0.00 0.00 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 S 8.44 4.90 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 22 C 9.03 5.85 0.00 3.07 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 8.77 5.47 0.00 2.97 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 24 R 8.55 4.39 0.00 1.91 1.87 0.00 3.19 0.00 0.00 3.29 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 25 K 9.47 4.88 0.00 2.16 1.85 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.71 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.37 7.81 26 S 8.94 5.20 0.00 3.88 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 27 R 8.89 4.30 0.00 1.79 2.03 0.00 3.26 0.00 0.00 3.48 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.57 0.00 28 R 8.78 4.02 0.00 1.88 1.65 0.00 3.33 0.00 0.00 3.18 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 29 H 7.83 5.01 0.00 3.18 3.18 0.00 5.80 0.00 0.00 0.00 0.00 6.95 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 4.34 0.00 2.05 2.03 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 31 P 0.00 4.45 0.00 2.04 1.99 0.00 3.68 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 2.02 2.10 0.00 32 K 8.37 4.51 0.00 1.75 1.79 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.74 1.47 7.81 33 M 7.60 4.28 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.48 0.00 34 V 8.28 4.16 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 0.83 0.00 0.00 0.88 0.00 0.00 35 L 8.98 4.59 0.00 1.62 1.66 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 36 G 7.94 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 0.00 0.00 0.00 37 R 7.27 4.37 0.00 1.69 1.72 0.00 3.11 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.55 0.00 38 G 5.96 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.92 4.88 0.00 2.93 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 40 G 10.03 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 C 8.15 4.95 0.00 2.93 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.60 0.00 1.96 1.71 0.00 3.43 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.79 0.00 43 P 0.00 4.32 0.00 2.16 2.06 0.00 3.65 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.91 0.00 44 G 8.32 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 0.00 0.00 0.00 45 D 7.74 4.96 0.00 2.66 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 46 D 8.69 4.39 0.00 2.78 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 47 N 8.21 4.68 0.00 2.91 2.89 0.00 0.00 6.35 7.56 0.00 0.00 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 L 8.21 5.56 0.00 1.78 1.71 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.93 4.33 0.00 1.96 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 2.29 0.00 50 V 8.21 5.22 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 1.07 0.00 0.00 0.95 0.00 0.00 51 K 8.58 4.50 0.00 1.49 1.66 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.78 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.42 1.04 7.81 52 C 8.83 5.67 0.00 2.84 3.04 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 53 C 9.01 5.26 0.00 3.00 3.22 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 54 T 8.48 4.34 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 55 S 7.81 4.69 0.00 3.95 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 56 P 0.00 4.84 0.00 2.23 2.15 0.00 3.71 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 57 D 8.56 4.42 0.00 2.66 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.51 3.99 0.00 1.94 2.23 0.00 1.72 0.00 0.00 1.91 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.00 1.25 7.81 59 C 7.90 4.58 0.00 3.14 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 4.78 0.00 2.97 3.00 0.00 0.00 5.98 7.55 0.00 0.00 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 Y 7.64 4.08 0.00 3.37 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