NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3294 8.2493 123.5828 51.5262 19.5282 174.1513 3 K 4.3633 7.2613 120.0118 54.2144 35.7263 173.8897 4 H 4.2667 9.0526 121.0432 58.0242 30.8122 174.8182 5 P 4.4201 0.0000 0.0000 62.7237 32.5142 176.3118 6 V 4.4299 7.9419 120.6679 60.2751 34.5398 172.4151 7 P 4.2545 0.0000 0.0000 62.9962 31.1927 176.4038 8 K 4.1287 8.6606 124.6861 58.5871 32.5591 176.6092 9 K 4.6320 7.4667 115.5676 54.1444 36.0612 175.4924 10 K 3.9964 8.5187 123.4434 56.2829 32.5247 176.6783 11 T 3.9686 8.4750 117.4476 61.2062 69.1771 174.9044 12 S 4.2506 8.6973 121.9501 58.3691 64.6454 175.3783 13 K 3.8641 8.6378 122.0154 59.9840 31.7922 178.7448 14 A 3.9127 8.1696 119.8456 56.1556 18.1511 179.5471 15 R 3.8314 8.1968 115.4781 58.9988 29.9878 178.9167 16 R 3.8171 7.8172 118.1818 59.7259 30.4437 178.0011 17 D 4.4259 8.5283 118.7244 57.1903 40.7308 178.5756 18 A 3.9801 8.3716 121.7689 55.2161 18.0655 179.6823 19 R 3.9546 7.6785 116.4575 59.2146 30.3311 177.9793 20 R 4.0080 7.8210 116.3863 55.9987 29.7705 178.1045 21 S 4.0275 7.4448 115.4930 61.9391 62.6717 175.4059 22 H 4.5611 7.9995 115.4893 56.4857 28.6695 176.1991 23 H 4.2268 8.4043 116.7680 56.5405 28.8546 175.5377 24 A 4.0004 6.9843 122.8823 52.4932 18.7339 176.6355 25 L 4.5579 8.2097 121.8623 53.6603 43.8217 175.5775 26 T 4.4650 8.1084 118.8959 59.5213 68.5820 172.7343 27 P 4.3612 0.0000 0.0000 61.7353 31.9884 174.5238 28 P 4.3718 0.0000 0.0000 63.0661 31.6709 175.5813 29 T 4.4306 8.2801 109.7883 60.4766 69.8451 173.5926 30 L 5.0776 8.2848 125.2824 52.9154 45.5923 176.2328 31 V 4.6054 8.7182 114.3342 58.9101 36.0896 173.5701 32 P 4.6406 0.0000 0.0000 62.5614 31.9615 175.5669 33 C 4.4151 8.6354 123.8460 57.3327 32.5440 173.7566 34 P 4.7730 0.0000 0.0000 61.9208 30.3830 177.0770 35 E 5.5391 9.2135 120.3157 55.2119 32.3782 176.0659 36 C 4.3591 7.6432 115.6573 56.2582 29.6648 175.8267 37 K 3.9563 8.8806 120.2568 59.8772 32.6953 177.1331 38 A 3.8318 7.2046 117.2768 50.5710 19.0733 176.5446 39 M 4.9246 8.6385 123.1767 54.4251 33.2431 175.8501 40 K 4.8283 8.9925 121.9678 54.2583 36.9129 173.7179 41 P 5.0358 0.0000 0.0000 61.3116 31.9529 174.5719 42 P 4.2380 0.0000 0.0000 64.5764 31.6663 175.4105 43 H 3.9927 8.7035 115.7031 57.2526 25.7648 174.8124 44 T 4.4478 7.6230 114.7823 61.3120 71.3937 174.1709 45 V 3.3226 8.3787 126.8810 62.8512 31.9552 174.5149 46 C 4.8217 8.0559 127.0125 57.1485 34.3635 171.8017 47 P 4.2863 0.0000 0.0000 66.0967 31.2681 176.5560 48 E 4.7078 7.7358 123.1651 55.1714 27.0230 176.4317 49 C 4.0864 9.0174 123.1475 61.4012 28.1675 180.2672 50 G 3.2175 7.8945 105.6065 45.3282 0.0000 177.6222 51 Y 4.7957 7.9985 123.4125 56.6216 43.1996 171.9831 52 Y 4.0033 5.3700 117.8849 58.9299 38.8290 175.4659 53 A 4.2927 7.4372 129.9623 52.5408 25.0467 179.7715 54 G 4.1970 8.9931 108.9626 46.4270 0.0000 171.2437 55 R 4.6279 8.0276 123.7745 54.0667 37.7400 175.2103 56 K 4.2452 7.9885 122.9144 56.9707 31.5813 176.4544 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 2 A 8.25 4.33 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 3 K 7.26 4.36 0.00 1.92 1.79 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.31 1.64 7.81 4 H 9.05 4.27 0.00 3.11 3.15 0.00 5.75 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.42 0.00 2.08 1.95 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 2.02 2.03 0.00 6 V 7.94 4.43 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 0.80 0.00 0.00 1.03 0.00 0.00 7 P 0.00 4.25 0.00 2.21 2.08 0.00 3.82 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 8 K 8.66 4.13 0.00 1.72 1.88 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.52 7.81 9 K 7.47 4.63 0.00 1.72 1.63 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.36 7.81 10 K 8.52 4.00 0.00 1.71 1.72 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.43 7.81 11 T 8.47 3.97 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 12 S 8.70 4.25 0.00 4.06 4.06 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 13 K 8.64 3.86 0.00 1.86 1.90 0.00 1.59 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.57 7.81 14 A 8.17 3.91 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.20 3.83 0.00 1.93 1.93 0.00 3.10 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 16 R 7.82 3.82 0.00 1.83 2.19 0.00 3.30 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 17 D 8.53 4.43 0.00 2.68 2.67 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 0.00 0.00 0.00 18 A 8.37 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.68 3.95 0.00 1.94 2.20 0.00 3.26 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 1.67 1.69 0.00 20 R 7.82 4.01 0.00 1.94 1.73 0.00 3.13 0.00 0.00 3.13 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.67 0.00 21 S 7.44 4.03 0.00 3.81 4.06 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 22 H 8.00 4.56 0.00 3.27 3.38 0.00 5.61 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 23 H 8.40 4.23 0.00 3.27 3.38 0.00 5.89 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 24 A 6.98 4.00 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 25 L 8.21 4.56 0.00 1.61 1.56 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.11 4.46 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 27 P 0.00 4.36 0.00 2.08 1.97 0.00 3.74 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 28 P 0.00 4.37 0.00 2.17 2.06 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 29 T 8.28 4.43 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 30 L 8.28 5.08 0.00 1.49 1.55 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.72 4.61 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 0.73 0.00 0.00 0.95 0.00 0.00 32 P 0.00 4.64 0.00 1.92 1.97 0.00 3.66 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 33 C 8.64 4.42 0.00 3.10 3.03 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 0.00 0.00 0.00 0.00 34 P 0.00 4.77 0.00 2.17 2.11 0.00 3.90 0.00 0.00 3.76 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 35 E 9.21 5.54 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 1.97 2.00 0.00 36 C 7.64 4.36 0.00 3.16 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.88 3.96 0.00 1.88 1.98 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.44 7.81 38 A 7.20 3.83 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.64 4.92 0.00 1.90 2.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.47 0.00 40 K 8.99 4.83 0.00 1.73 1.82 0.00 1.23 0.00 0.00 1.77 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.27 1.32 7.81 41 P 0.00 5.04 0.00 2.09 2.08 0.00 3.36 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.79 0.00 42 P 0.00 4.24 0.00 2.33 2.12 0.00 3.98 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 2.02 0.00 43 H 8.70 3.99 0.00 3.32 3.46 0.00 5.64 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.62 4.45 4.19 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 1.19 0.00 0.00 45 V 8.38 3.32 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 0.82 0.00 0.00 0.85 0.00 0.00 46 C 8.06 4.82 0.00 2.88 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 47 P 0.00 4.29 0.00 2.27 2.28 0.00 3.74 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 2.08 2.05 0.00 48 E 7.74 4.71 0.00 1.98 1.97 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 2.32 2.30 0.00 49 C 9.02 4.09 0.00 3.20 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.89 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 0.00 0.00 0.00 51 Y 8.00 4.80 0.00 3.19 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 52 Y 5.37 4.00 0.00 1.43 2.34 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 53 A 7.44 4.29 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.99 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 0.00 0.00 0.00 0.00 55 R 8.03 4.63 0.00 1.79 1.85 0.00 3.37 0.00 0.00 3.53 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 56 K 7.99 4.25 0.00 1.95 1.91 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.43 7.81