NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4418 8.2644 123.5827 51.4625 21.2310 176.1338 3 K 4.3251 7.4582 121.4802 55.3118 34.0511 173.8629 4 H 4.0158 10.5462 111.9534 58.2062 28.4078 174.9198 5 P 4.3561 0.0000 0.0000 63.5389 32.4329 175.8580 6 V 4.4843 7.9492 120.7154 60.2176 34.6773 172.6394 7 P 4.2046 0.0000 0.0000 63.4058 31.4438 176.3251 8 K 4.3125 8.5597 122.8946 57.1145 32.8622 176.2385 9 K 4.5790 7.4176 115.5610 54.9908 35.9583 175.3179 10 K 4.0237 8.5227 124.0923 56.4602 32.6774 176.5577 11 T 4.1064 8.3888 117.1049 60.8583 69.6185 174.4977 12 S 4.1839 8.6824 120.6165 58.3535 63.6780 175.3739 13 K 3.8012 8.9101 122.5196 60.2203 31.7027 177.8252 14 A 4.2011 8.1589 121.8506 53.5468 17.9935 178.4945 15 R 4.0890 7.7571 122.0617 58.4184 30.9911 178.8841 16 R 4.0155 8.2268 118.8611 59.6790 29.7354 177.8410 17 D 4.3296 8.1184 117.7690 57.4658 40.8330 178.5189 18 A 4.1304 8.4410 121.5267 55.6738 18.0432 179.6878 19 R 3.8820 7.6840 115.1545 58.8176 30.2784 177.9651 20 R 4.2224 9.1907 117.3522 56.3734 30.1760 178.1923 21 S 4.0753 7.2764 115.1391 61.7128 62.7290 174.9611 22 H 4.7933 7.4453 116.4138 55.8905 28.4929 175.6195 23 H 4.5741 9.0993 120.0637 57.1753 29.1582 175.8641 24 A 3.8131 7.9877 120.6723 52.0818 18.4371 177.0391 25 L 4.2076 8.3770 124.4688 54.9271 43.0161 175.7023 26 T 4.5208 8.0879 116.2493 58.9632 69.0961 171.7720 27 P 4.2186 0.0000 0.0000 62.5009 31.3952 174.2149 28 P 4.3912 0.0000 0.0000 63.0208 31.6214 175.5910 29 T 4.4916 8.3011 108.5662 60.2966 70.2974 173.2066 30 L 4.8630 8.4278 125.6092 53.2073 45.2413 175.8108 31 V 4.4008 8.9095 112.4588 59.7899 36.1567 174.8315 32 P 3.9864 0.0000 0.0000 65.2587 31.5344 173.4374 33 C 4.0887 8.0837 122.3385 58.2565 33.9781 169.8928 34 P 4.5512 0.0000 0.0000 63.8895 29.3054 178.6253 35 E 3.1173 8.1152 109.0228 58.6276 31.0031 176.4655 36 C 4.4223 7.9811 117.2265 59.7559 29.5039 174.1462 37 K 4.1908 8.4843 121.6940 57.3743 32.8633 177.2987 38 A 4.5689 7.4966 125.5843 52.6532 20.5996 177.1427 39 M 5.1920 8.2677 112.8802 54.2432 36.0264 175.3009 40 K 4.7819 8.3097 118.3567 54.5789 37.2935 173.7369 41 P 5.0371 0.0000 0.0000 60.8835 32.6064 174.1269 42 P 4.2327 0.0000 0.0000 63.7886 32.1573 175.4478 43 H 4.1688 8.6685 116.4848 57.3014 26.3668 175.0129 44 T 4.4912 7.7534 112.6432 61.7697 72.2299 174.6056 45 V 3.8097 8.0266 124.8991 61.5729 31.2182 174.3628 46 C 4.5155 8.1894 128.0806 56.9820 32.6658 171.6388 47 P 4.7957 0.0000 0.0000 62.7310 27.6163 174.1731 48 E 4.8091 7.3726 125.4024 57.0731 37.4300 176.0674 49 C 4.3927 8.1631 119.0002 59.9585 30.6051 175.1490 50 G 4.0149 7.9831 105.2432 45.2840 0.0000 171.0604 51 Y 4.6011 7.8794 124.5751 55.9407 41.5155 173.0018 52 Y 4.6041 6.6660 116.2967 56.3436 39.7894 176.3517 53 A 3.9704 9.2316 126.0475 51.9065 17.1903 177.5470 54 G 4.2045 7.3649 102.8758 43.0290 0.0000 174.0712 55 R 4.3120 8.3292 121.7558 57.2811 32.3081 175.6212 56 K 4.4300 7.4786 122.9096 57.8429 37.4194 176.5084 57 V 3.8437 9.3263 112.4772 61.4302 29.8532 177.0996 58 L 4.6873 8.7411 120.9647 54.1344 46.2893 174.6046 59 E 4.6603 8.0405 118.9180 55.8913 32.3546 175.2426 60 V 3.9263 8.0148 117.7375 63.7374 31.4873 171.9449 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 8.26 4.44 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 3 K 7.46 4.33 0.00 1.72 1.39 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.28 1.53 7.81 4 H 10.55 4.02 0.00 3.17 3.02 0.00 5.78 0.00 0.00 0.00 0.00 7.13 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 4.36 0.00 2.04 1.99 0.00 3.68 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 6 V 7.95 4.48 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 0.81 0.00 0.00 1.02 0.00 0.00 7 P 0.00 4.20 0.00 2.08 2.01 0.00 3.72 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 2.04 2.10 0.00 8 K 8.56 4.31 0.00 1.69 1.82 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.51 7.81 9 K 7.42 4.58 0.00 1.74 1.64 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.35 1.36 7.81 10 K 8.52 4.02 0.00 1.71 1.72 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.43 7.81 11 T 8.39 4.11 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 8.68 4.18 0.00 4.02 4.05 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 13 K 8.91 3.80 0.00 1.81 1.93 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.53 7.81 14 A 8.16 4.20 1.26 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 0.00 0.00 15 R 7.76 4.09 0.00 1.76 2.00 0.00 3.27 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 16 R 8.23 4.02 0.00 1.98 2.07 0.00 3.16 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 17 D 8.12 4.33 0.00 2.87 2.70 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 18 A 8.44 4.13 1.38 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 0.00 0.00 19 R 7.68 3.88 0.00 1.99 2.14 0.00 3.29 0.00 0.00 3.24 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 20 R 9.19 4.22 0.00 1.97 2.11 0.00 3.25 0.00 0.00 3.27 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 21 S 7.28 4.08 0.00 3.81 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 22 H 7.45 4.79 0.00 3.11 3.31 0.00 5.69 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 9.10 4.57 0.00 3.14 3.33 0.00 5.70 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 7.99 3.81 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 8.38 4.21 0.00 1.63 1.59 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.09 4.52 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 27 P 0.00 4.22 0.00 2.22 2.08 0.00 3.83 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 2.00 1.99 0.00 28 P 0.00 4.39 0.00 2.20 2.12 0.00 3.72 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 1.99 1.96 0.00 29 T 8.30 4.49 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 1.22 0.00 0.00 30 L 8.43 4.86 0.00 1.53 1.70 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.91 4.40 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 0.79 0.00 0.00 0.94 0.00 0.00 32 P 0.00 3.99 0.00 2.05 2.09 0.00 3.74 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 2.04 2.13 0.00 33 C 8.08 4.09 0.00 3.14 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 34 P 0.00 4.55 0.00 2.25 1.46 0.00 3.89 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 35 E 8.12 3.12 0.00 2.03 1.84 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 2.35 2.37 0.00 36 C 7.98 4.42 0.00 3.00 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 37 K 8.48 4.19 0.00 1.87 1.90 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.44 7.81 38 A 7.50 4.57 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 39 M 8.27 5.19 0.00 1.86 1.93 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 2.49 2.48 0.00 40 K 8.31 4.78 0.00 1.75 1.65 0.00 1.69 0.00 0.00 1.80 0.00 0.00 3.19 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.40 7.81 41 P 0.00 5.04 0.00 2.09 2.05 0.00 3.40 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.84 0.00 42 P 0.00 4.23 0.00 2.06 2.05 0.00 3.80 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 43 H 8.67 4.17 0.00 3.32 3.42 0.00 5.64 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.75 4.49 4.28 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 1.18 0.00 0.00 45 V 8.03 3.81 1.86 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 0.53 0.00 0.00 0.29 0.00 0.00 46 C 8.19 4.52 0.00 2.98 2.77 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 47 P 0.00 4.80 0.00 2.20 2.06 0.00 3.84 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 1.97 1.97 0.00 48 E 7.37 4.81 0.00 1.94 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 2.21 2.31 0.00 49 C 8.16 4.39 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.88 4.60 0.00 2.51 2.52 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 52 Y 6.67 4.60 0.00 3.17 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 A 9.23 3.97 1.55 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 0.00 0.00 0.00 0.00 0.00 0.00 54 G 7.36 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 8.33 4.31 0.00 1.89 1.84 0.00 3.28 0.00 0.00 3.39 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 56 K 7.48 4.43 0.00 1.81 0.89 0.00 1.50 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.36 7.81 57 V 9.33 3.84 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 0.71 0.00 0.00 0.95 0.00 0.00 58 L 8.74 4.69 0.00 1.56 1.51 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.04 4.66 0.00 2.04 1.90 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 2.20 2.30 0.00 60 V 8.01 3.93 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 0.69 0.00 0.00 0.94 0.00 0.00