NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 G 3.9146 8.3393 109.7340 44.6747 0.0000 172.6043 6 P 4.0327 0.0000 0.0000 61.3596 31.6927 174.1564 7 L 4.0095 8.5539 124.9943 54.5488 43.4384 177.8874 8 G 4.2013 8.1765 126.5383 45.4594 0.0000 173.3417 9 S 4.3275 8.7191 120.4179 58.4769 64.1852 173.0824 10 V 4.8302 8.4520 123.6057 61.2323 34.2259 174.5701 11 V 4.9246 8.7879 119.7178 59.5301 36.2384 174.1694 12 R 4.9523 8.7567 122.3526 54.1267 32.8676 174.9119 13 A 4.3715 8.8318 128.6992 52.3367 18.8290 178.3804 14 K 3.9050 8.9123 122.1788 57.8072 32.7854 177.1251 15 F 5.0265 7.5329 116.0706 55.4650 43.0799 173.6680 16 N 4.9132 8.7360 119.5337 53.8114 39.4263 174.5835 17 F 4.8218 8.8501 123.4794 56.7887 43.1162 172.9608 18 Q 4.6273 7.7079 124.9572 53.5418 30.1926 175.6811 19 Q 3.9680 8.6281 123.5081 56.5685 29.0866 176.4367 20 T 4.3824 8.9347 110.2645 61.6950 70.2441 173.2454 21 N 4.8826 7.4826 118.5474 51.7639 39.9979 174.9319 22 E 4.1262 8.6292 117.2879 59.0656 29.7629 178.2250 23 D 4.7074 8.7137 118.3504 55.6283 41.3958 175.5919 24 E 5.4404 7.9522 118.7990 54.8150 31.0675 176.3512 25 L 4.5796 9.2820 123.4320 55.1182 42.7906 176.4926 26 S 5.1157 8.6636 116.6702 57.0285 65.5198 173.3849 27 F 4.9943 8.5512 117.5930 56.2651 41.7811 172.9057 28 S 5.3572 9.3886 115.0461 56.0794 65.9804 174.1034 29 K 3.9685 9.1562 123.7430 58.6816 32.1498 177.3217 30 G 3.9887 9.0140 114.9695 45.2259 0.0000 173.4528 31 D 4.5933 8.0078 120.0157 54.2924 42.0943 175.7263 32 V 4.4630 8.1924 121.3439 62.2906 32.9656 175.1954 33 I 4.6317 8.5116 127.2367 59.6964 41.1327 173.9289 34 H 4.9867 9.0175 127.2839 55.0638 30.7933 174.1339 35 V 4.5551 8.6264 128.0078 62.8105 31.3818 175.6362 36 T 4.4566 8.6625 117.6674 61.6397 70.6509 174.4195 37 R 4.5210 7.4788 122.3094 54.9453 33.7014 173.3801 38 V 4.3370 8.1935 125.2474 61.0392 33.8692 174.3592 39 E 4.8949 8.4745 123.1355 54.2582 33.5545 175.4546 40 E 4.2020 8.6040 120.1930 57.6437 30.0233 177.3967 41 G 4.0372 9.5178 108.1148 45.4802 0.0000 174.9364 42 G 3.7777 8.9498 108.3997 44.4710 0.0000 172.4442 43 W 5.0091 8.0719 119.5173 54.5109 32.2334 174.7535 44 W 5.3005 8.5652 123.6390 54.8717 32.6984 173.8631 45 E 4.4828 8.4431 122.1397 54.6345 31.8731 175.0004 46 G 4.5424 8.8927 111.8147 46.3856 0.0000 171.4339 47 T 5.2255 8.7223 116.7653 61.9922 71.0721 173.8089 48 H 4.8693 9.3175 125.7938 55.1403 33.5151 173.0655 49 N 4.0988 9.7437 123.5669 54.4466 36.0945 175.1272 50 G 3.9397 8.3608 102.6118 45.5107 0.0000 173.3297 51 R 4.7415 8.0158 119.8387 54.6027 33.3829 174.2279 52 T 5.0410 8.2846 121.5413 62.2672 70.6873 173.9879 53 G 4.1390 8.5428 111.1404 46.2089 0.0000 171.8660 54 W 5.6435 9.1789 120.1169 55.6683 31.4899 175.9809 55 F 5.3056 9.0343 116.5695 55.1035 41.5288 171.7887 56 P 3.6045 0.0000 0.0000 61.6609 31.5456 178.0104 57 S 3.2429 7.9932 119.1081 60.9624 62.6805 175.8137 58 N 4.5110 7.6208 115.7396 54.7266 38.5985 174.8428 59 Y 4.6616 8.2298 116.3745 58.3763 38.3419 174.8954 60 V 5.0523 7.4433 112.6942 59.4859 36.1568 174.9905 61 R 4.7274 8.6201 117.4286 54.2975 32.9243 174.2192 62 E 4.6707 8.9354 122.7111 56.0623 30.6949 176.5233 63 I 4.1290 8.1836 118.8049 61.0567 37.7052 175.1394 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 5 G 8.34 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 0.00 0.00 0.00 6 P 0.00 4.03 0.00 2.26 2.06 0.00 3.77 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 7 L 8.55 4.01 0.00 1.52 1.59 0.62 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 8 G 8.18 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 9 S 8.72 4.33 0.00 3.79 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.45 4.83 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 11 V 8.79 4.92 2.17 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 0.93 0.00 0.00 0.89 0.00 0.00 12 R 8.76 4.95 0.00 1.75 1.66 0.00 3.04 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.69 0.00 13 A 8.83 4.37 1.31 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 0.00 0.00 0.00 14 K 8.91 3.91 0.00 0.79 0.74 0.00 1.53 0.00 0.00 1.47 0.00 0.00 2.63 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.13 1.12 7.81 15 F 7.53 5.03 0.00 2.80 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.74 4.91 0.00 2.69 2.79 0.00 0.00 6.66 7.49 0.00 0.00 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 F 8.85 4.82 0.00 2.69 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.71 4.63 0.00 1.67 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.66 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 19 Q 8.63 3.97 0.00 2.40 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 20 T 8.93 4.38 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 1.17 0.00 0.00 21 N 7.48 4.88 0.00 2.89 2.89 0.00 0.00 6.13 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 22 E 8.63 4.13 0.00 1.98 2.10 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 2.33 2.41 0.00 23 D 8.71 4.71 0.00 2.83 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 24 E 7.95 5.44 0.00 2.19 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 2.45 2.44 0.00 25 L 9.28 4.58 0.00 2.09 2.01 1.10 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.66 5.12 0.00 3.77 3.71 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 27 F 8.55 4.99 0.00 2.93 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.39 5.36 0.00 4.00 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 29 K 9.16 3.97 0.00 1.75 1.81 0.00 1.86 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.42 7.81 30 G 9.01 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 0.00 0.00 0.00 31 D 8.01 4.59 0.00 2.76 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 32 V 8.19 4.46 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 0.87 0.00 0.00 0.89 0.00 0.00 33 I 8.51 4.63 1.38 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.14 0.56 0.00 0.00 34 H 9.02 4.99 0.00 3.21 3.18 0.00 5.77 0.00 0.00 0.00 0.00 6.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.63 4.56 2.11 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 0.96 0.00 0.00 1.22 0.00 0.00 36 T 8.66 4.46 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 37 R 7.48 4.52 0.00 1.71 1.40 0.00 3.16 0.00 0.00 3.46 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 38 V 8.19 4.34 1.68 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 0.47 0.00 0.00 -0.24 0.00 0.00 39 E 8.47 4.89 0.00 2.29 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 2.57 2.67 0.00 40 E 8.60 4.20 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 41 G 9.52 4.04 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 0.00 0.00 0.00 42 G 8.95 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 43 W 8.07 5.01 0.00 3.27 3.29 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 44 W 8.57 5.30 0.00 2.29 2.78 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 45 E 8.44 4.48 0.00 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.47 0.00 46 G 8.89 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.72 5.23 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 1.28 0.00 0.00 48 H 9.32 4.87 0.00 3.01 3.12 0.00 5.73 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 N 9.74 4.10 0.00 2.71 2.77 0.00 0.00 7.15 7.66 0.00 0.00 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 8.36 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 4.74 0.00 1.91 1.92 0.00 3.15 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 52 T 8.28 5.04 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 53 G 8.54 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.18 5.64 0.00 3.45 3.39 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 55 F 9.03 5.31 0.00 3.19 3.36 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 56 P 0.00 3.60 0.00 1.44 0.95 0.00 2.80 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 57 S 7.99 3.24 0.00 2.72 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 58 N 7.62 4.51 0.00 2.71 2.95 0.00 0.00 6.84 7.40 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 59 Y 8.23 4.66 0.00 3.27 3.26 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 60 V 7.44 5.05 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 0.52 0.00 0.00 1.09 0.00 0.00 61 R 8.62 4.73 0.00 1.80 1.90 0.00 2.72 0.00 0.00 3.01 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.49 0.00 62 E 8.94 4.67 0.00 2.08 1.92 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 2.31 2.50 0.00 63 I 8.18 4.13 1.85 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 1.13 0.83 0.88 0.00 0.00