NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1359 8.2649 123.5819 52.4327 19.3297 177.7654 2 K 3.7159 8.7035 123.8211 56.6158 31.4858 172.9818 3 T 4.4929 8.8547 113.3896 64.7708 74.3191 171.3569 4 I 3.7348 7.6954 127.4112 60.1148 37.3489 172.3333 5 K 4.9494 8.2446 122.1706 54.8695 35.0637 175.5378 6 I 4.6447 8.7108 124.4160 60.7019 40.1999 174.5957 7 T 4.6469 7.8498 117.3953 63.3173 72.5066 174.7713 8 Q 4.0124 9.1592 125.6452 58.3749 29.5515 178.9731 9 T 3.5380 8.1423 104.8467 62.2493 69.0504 172.0323 10 R 4.6060 8.0529 120.4978 53.8410 33.8391 174.9661 11 S 4.1597 8.7894 117.6352 58.5574 63.2693 174.4648 12 A 4.3823 8.4117 129.7435 52.3158 18.1214 178.6367 13 I 3.8050 7.3918 122.3616 64.9355 37.5259 178.4824 14 G 3.7830 8.1859 117.3111 48.2119 0.0000 174.0140 15 R 4.1342 7.2157 117.3065 56.2186 30.8897 177.0225 16 L 4.2142 8.2101 119.2577 54.2786 43.6535 176.8990 17 P 4.3355 0.0000 0.0000 65.3770 31.2794 179.0728 18 K 3.9924 7.9600 118.4724 59.5822 32.2470 178.4744 19 H 4.2378 8.1152 116.0669 58.9332 28.8795 177.4149 20 K 3.8812 8.1176 120.0307 59.7310 31.7853 178.9366 21 A 3.9542 8.2158 120.8018 55.4962 18.4188 179.8775 22 T 3.9002 7.8329 107.8412 64.4072 68.5171 176.6080 23 L 3.9462 7.7746 121.8789 57.7774 41.6859 178.9000 24 L 3.9264 7.6499 117.5026 57.4797 41.5876 179.0726 25 G 3.8945 7.5379 103.7462 45.9341 0.0000 175.3027 26 L 4.3692 7.6337 119.0479 54.0080 43.0741 175.5905 27 G 3.7150 9.1386 110.3151 44.4924 0.0000 171.5569 28 L 4.2276 7.5789 119.2204 55.4664 42.5909 174.8900 29 R 4.1574 8.0625 125.1133 57.2282 31.2613 182.4415 30 R 4.3780 7.9043 122.7799 56.3527 30.0208 178.8954 31 I 3.9260 8.2314 111.2284 60.7185 36.0733 170.6358 32 G 3.6780 8.7320 121.0489 45.8878 0.0000 171.4846 33 H 4.2597 8.6892 124.8697 56.4497 30.5383 174.8714 34 T 4.1656 7.4769 112.6370 64.5323 66.0618 172.7586 35 V 3.8090 7.3373 120.7924 61.3850 32.8817 174.8634 36 E 4.2149 8.6282 124.2766 56.4655 29.9369 173.9198 37 R 4.0343 8.2424 129.8412 56.6352 29.8667 177.6953 38 E 4.6466 8.0012 121.0343 55.5800 33.6612 174.1343 39 D 4.8619 8.2989 113.7037 53.2691 41.3022 176.0626 40 T 4.4614 7.3867 117.8019 61.6552 70.1170 174.9801 41 P 4.3204 0.0000 0.0000 64.9013 31.3683 177.7979 42 A 4.1435 7.5479 122.2598 54.8032 19.1870 179.5040 43 I 3.7109 7.5510 108.2397 63.0713 37.8592 177.8733 44 R 4.1919 8.7217 121.1812 57.5307 30.2155 177.8528 45 G 3.5223 7.8463 104.7814 46.6112 0.0000 175.2068 46 M 4.2671 7.5269 119.8743 57.5810 32.0631 178.5614 47 I 3.6297 7.2480 120.3096 64.4707 37.1563 177.9114 48 N 4.2661 8.3002 115.4620 56.2592 36.7174 176.2830 49 A 4.1401 7.5787 122.2663 54.1704 19.1438 179.3622 50 V 3.7826 7.1868 109.8759 60.9565 32.2061 178.2679 51 S 4.1883 7.9324 117.0029 61.3065 63.4884 176.2515 52 F 4.8466 7.9843 112.0886 57.2454 37.0564 175.6416 53 M 4.8083 7.8705 120.9627 54.1165 33.4935 175.0139 54 V 5.2131 7.6668 111.4254 60.6017 35.7649 173.9690 55 K 4.4860 8.6971 127.2724 54.9042 33.7219 175.3241 56 V 4.5316 8.3259 126.5878 61.1282 33.5112 173.9682 57 E 4.5942 8.5930 128.7482 54.3533 31.8195 175.4689 58 E 4.1996 8.7251 126.4173 56.3288 29.7798 175.2764 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 A 8.26 4.14 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 2 K 8.70 3.72 0.00 2.13 1.85 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.52 7.81 3 T 8.85 4.49 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 1.24 0.00 0.00 4 I 7.70 3.73 1.86 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 2.02 0.95 0.00 0.00 5 K 8.24 4.95 0.00 1.67 1.66 0.00 1.62 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.42 7.81 6 I 8.71 4.64 1.86 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 1.36 1.04 0.88 0.00 0.00 7 T 7.85 4.65 4.22 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 1.19 0.00 0.00 8 Q 9.16 4.01 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 5.90 0.00 0.00 0.00 0.00 0.00 2.59 2.25 0.00 9 T 8.14 3.54 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 1.20 0.00 0.00 10 R 8.05 4.61 0.00 1.75 1.87 0.00 3.60 0.00 0.00 3.42 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 11 S 8.79 4.16 0.00 3.98 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 12 A 8.41 4.38 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 13 I 7.39 3.81 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.14 0.92 0.00 0.00 14 G 8.19 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 15 R 7.22 4.13 0.00 1.95 2.06 0.00 3.33 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.98 0.00 16 L 8.21 4.21 0.00 1.50 1.53 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.34 0.00 2.15 2.10 0.00 3.58 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 2.10 2.13 0.00 18 K 7.96 3.99 0.00 1.81 1.80 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.55 7.81 19 H 8.12 4.24 0.00 3.42 3.33 0.00 5.71 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 20 K 8.12 3.88 0.00 1.98 1.91 0.00 1.85 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.76 7.81 21 A 8.22 3.95 1.43 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 0.00 0.00 22 T 7.83 3.90 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 1.31 0.00 0.00 23 L 7.77 3.95 0.00 1.88 1.72 0.86 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.65 3.93 0.00 1.85 1.77 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.54 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 0.00 0.00 0.00 26 L 7.63 4.37 0.00 1.60 1.71 0.88 1.27 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 27 G 9.14 3.72 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 0.00 0.00 0.00 28 L 7.58 4.23 0.00 1.72 1.63 0.89 0.69 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 29 R 8.06 4.16 0.00 1.79 1.82 0.00 3.26 0.00 0.00 3.21 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 30 R 7.90 4.38 0.00 1.80 1.81 0.00 3.20 0.00 0.00 3.28 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 31 I 8.23 3.93 1.87 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 1.35 0.58 0.91 0.00 0.00 32 G 8.73 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 33 H 8.69 4.26 0.00 3.08 3.35 0.00 6.08 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.48 4.17 4.16 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 1.23 0.00 0.00 35 V 7.34 3.81 2.15 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 0.88 0.00 0.00 0.96 0.00 0.00 36 E 8.63 4.21 0.00 1.99 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 2.22 2.28 0.00 37 R 8.24 4.03 0.00 1.65 1.68 0.00 3.50 0.00 0.00 3.14 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 38 E 8.00 4.65 0.00 1.95 1.79 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 2.12 2.17 0.00 39 D 8.30 4.86 0.00 2.61 2.63 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 40 T 7.39 4.46 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 1.23 0.00 0.00 41 P 0.00 4.32 0.00 2.17 2.11 0.00 3.59 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 2.11 2.10 0.00 42 A 7.55 4.14 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 43 I 7.55 3.71 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.74 0.91 0.00 0.00 44 R 8.72 4.19 0.00 1.81 2.08 0.00 3.08 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 45 G 7.85 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.53 4.27 0.00 2.17 2.24 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 2.80 2.57 0.00 47 I 7.25 3.63 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.10 0.88 0.00 0.00 48 N 8.30 4.27 0.00 2.88 2.99 0.00 0.00 5.98 7.26 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 49 A 7.58 4.14 1.34 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 0.00 0.00 0.00 0.00 0.00 50 V 7.19 3.78 1.77 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 0.54 0.00 0.00 0.85 0.00 0.00 51 S 7.93 4.19 0.00 4.01 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 0.00 52 F 7.98 4.85 0.00 3.20 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.87 4.81 0.00 1.84 1.74 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 2.21 0.00 54 V 7.67 5.21 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 0.72 0.00 0.00 0.98 0.00 0.00 55 K 8.70 4.49 0.00 1.74 1.67 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.66 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.35 7.81 56 V 8.33 4.53 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 0.86 0.00 0.00 0.91 0.00 0.00 57 E 8.59 4.59 0.00 2.01 1.76 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 2.20 2.21 0.00 58 E 8.73 4.20 0.00 1.93 1.79 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 2.22 2.34 0.00