NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2620 8.2644 123.5793 51.9157 19.7864 176.6021 3 K 3.8988 8.4330 114.8927 56.2732 29.6685 173.5998 4 D 4.3902 8.4707 121.2116 54.3690 40.8423 175.7596 5 G 4.0098 7.9734 113.9726 42.2922 0.0000 169.4012 6 P 4.0629 0.0000 0.0000 63.5997 32.2597 176.3661 7 R 4.2168 12.0000 118.8538 56.1480 30.6482 177.1793 8 I 3.3083 7.1708 122.1370 60.9537 35.8550 173.9737 9 I 4.8341 12.0000 123.9389 59.5657 37.7542 175.5372 10 V 4.4038 8.3942 127.4844 61.1488 34.8789 174.1838 11 K 4.4659 8.7251 127.4904 56.5652 33.0210 175.8990 12 M 4.7362 8.4442 122.2945 54.5151 36.6933 174.0950 13 E 4.6165 8.3835 119.1828 55.2341 31.4573 175.4355 14 S 5.4501 8.0934 112.9905 59.3875 65.2674 177.3941 15 S 4.6388 8.6132 120.6439 57.9765 64.0232 173.7049 16 A 3.6596 7.5237 121.8096 51.0037 18.0928 177.2078 17 G 3.7345 8.3394 105.7874 45.8951 0.0000 171.4110 18 T 3.2515 8.5157 115.3036 62.6331 65.5139 174.9427 19 G 3.8792 9.3979 110.8572 46.2260 0.0000 174.5637 20 F 4.8405 8.5868 117.8774 58.1930 35.7812 175.9640 21 Y 3.7819 8.4150 127.3743 56.9726 38.8961 171.8733 22 Y 5.5316 9.5648 118.4910 55.6200 38.7365 175.8916 23 T 4.5635 8.5994 125.1694 62.1691 69.4038 172.5569 24 T 4.0548 8.1206 114.5730 62.0843 69.5280 173.5842 25 T 4.1656 7.5436 109.2170 61.3482 70.9328 171.7905 26 K 4.7959 8.8520 124.1761 55.0992 35.3629 174.6366 27 N 5.1256 8.3903 117.7419 52.6318 44.4419 173.9364 28 R 5.0886 8.7901 115.8042 56.6688 30.8849 175.8611 29 R 3.6735 9.4876 121.7674 60.3179 28.6539 181.2015 30 N 3.4273 6.9837 112.5067 53.4540 41.7808 174.4892 31 T 4.3996 7.4216 110.4429 60.1818 72.0501 175.2383 32 Q 3.0304 8.3051 112.5648 56.9029 26.3596 175.7721 33 A 4.1662 8.6093 134.3048 52.7282 17.1347 180.4988 34 K 4.1614 9.3785 114.2016 56.4275 32.7287 176.9655 35 L 4.5800 10.1891 119.1933 53.0438 43.3506 176.4194 36 E 6.3000 7.8140 130.8914 56.9983 32.3903 175.4548 37 L 5.2411 7.7084 122.7667 52.9896 46.0972 175.6261 38 K 4.4296 9.1981 120.6437 56.3040 37.1612 174.3715 39 K 5.7040 8.9214 122.0241 56.2540 34.2581 177.7007 40 Y 4.2898 8.6136 124.0202 57.1847 43.4119 177.3532 41 D 5.8500 8.9517 131.4305 53.3291 39.5965 174.4026 42 P 4.4423 0.0000 0.0000 62.6707 32.2757 177.5669 43 V 3.4813 6.8899 118.6269 65.7335 31.6318 176.7249 44 A 3.8933 8.0632 123.0652 54.1408 19.8424 177.3883 45 K 4.5105 7.7130 116.3615 55.3598 34.3152 178.1534 46 K 4.6802 8.3944 124.5277 57.0392 36.9804 177.0724 47 H 4.9856 8.7940 115.0665 58.9442 26.1842 175.3927 48 V 3.7845 9.0949 122.6415 64.0093 32.1389 170.8253 49 V 3.9404 8.1383 125.9205 63.8174 31.9548 175.0878 50 F 5.3191 8.2463 120.5941 56.8003 42.0358 174.4412 51 R 4.6131 8.6039 123.1253 56.3472 31.1638 176.9136 52 E 5.0485 8.6013 118.7826 56.8012 32.5599 176.9676 53 K 4.1391 7.8808 116.8375 56.7180 32.9685 176.1730 54 K 4.0306 8.2682 121.4194 57.0730 31.9224 175.2677 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 4.26 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 3 K 8.43 3.90 0.00 1.80 1.77 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.52 7.81 4 D 8.47 4.39 0.00 2.67 2.64 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 5 G 7.97 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 6 P 0.00 4.06 0.00 2.05 2.10 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 7 R 12.00 4.22 0.00 1.91 1.85 0.00 3.12 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 8 I 7.17 3.31 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 1.41 0.75 0.93 0.00 0.00 9 I 12.00 4.83 1.96 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 1.11 0.82 0.90 0.00 0.00 10 V 8.39 4.40 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 0.93 0.00 0.00 0.92 0.00 0.00 11 K 8.73 4.47 0.00 1.65 1.68 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.70 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.45 7.81 12 M 8.44 4.74 0.00 1.85 1.90 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 2.51 2.63 0.00 13 E 8.38 4.62 0.00 1.79 1.67 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 2.04 2.20 0.00 14 S 8.09 5.45 0.00 4.44 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 15 S 8.61 4.64 0.00 3.95 3.80 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 16 A 7.52 3.66 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 17 G 8.34 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.52 3.25 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 19 G 9.40 3.88 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 0.00 0.00 0.00 20 F 8.59 4.84 0.00 2.77 2.40 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 21 Y 8.42 3.78 0.00 2.83 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.56 5.53 0.00 2.97 2.50 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 23 T 8.60 4.56 4.11 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 1.37 0.00 0.00 24 T 8.12 4.05 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 1.22 0.00 0.00 25 T 7.54 4.17 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 1.13 0.00 0.00 26 K 8.85 4.80 0.00 1.62 1.73 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.33 1.42 7.81 27 N 8.39 5.13 0.00 2.75 2.66 0.00 0.00 6.72 7.54 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 28 R 8.79 5.09 0.00 1.91 2.02 0.00 3.17 0.00 0.00 3.35 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.46 0.00 29 R 9.49 3.67 0.00 1.93 2.15 0.00 3.05 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 30 N 6.98 3.43 0.00 2.78 3.31 0.00 0.00 6.73 7.70 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 31 T 7.42 4.40 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 32 Q 8.31 3.03 0.00 2.15 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.15 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 33 A 8.61 4.17 1.17 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 0.00 0.00 34 K 9.38 4.16 0.00 1.87 1.93 0.00 1.55 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.48 7.81 35 L 10.19 4.58 0.00 1.65 1.63 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 36 E 7.81 6.30 0.00 1.73 2.06 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 2.13 1.79 0.00 37 L 7.71 5.24 0.00 1.50 1.56 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 38 K 9.20 4.43 0.00 1.70 1.75 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.26 1.28 7.81 39 K 8.92 5.70 0.00 1.80 2.15 0.00 1.86 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.58 1.61 7.81 40 Y 8.61 4.29 0.00 1.43 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 41 D 8.95 5.85 0.00 2.75 2.76 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 0.00 0.00 0.00 42 P 0.00 4.44 0.00 2.43 2.10 0.00 4.13 0.00 0.00 4.12 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 43 V 6.89 3.48 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 0.69 0.00 0.00 1.43 0.00 0.00 44 A 8.06 3.89 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 45 K 7.71 4.51 0.00 1.86 1.25 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.48 7.81 46 K 8.39 4.68 0.00 1.73 1.47 0.00 1.84 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.35 1.38 7.81 47 H 8.79 4.99 0.00 3.51 3.35 0.00 6.05 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 9.09 3.78 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 0.31 0.00 0.00 0.92 0.00 0.00 49 V 8.14 3.94 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.93 0.00 0.00 50 F 8.25 5.32 0.00 4.12 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 51 R 8.60 4.61 0.00 1.79 1.87 0.00 3.08 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 52 E 8.60 5.05 0.00 1.93 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 0.00 2.23 2.20 0.00 53 K 7.88 4.14 0.00 1.74 1.78 0.00 1.97 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.70 1.49 7.81 54 K 8.27 4.03 0.00 1.57 1.54 0.00 1.57 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.18 1.40 7.81