NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4419 8.2644 123.5827 51.4628 21.2313 176.1315 3 K 4.3256 7.4576 121.4876 55.3135 34.0476 173.8710 4 H 4.0159 10.5465 111.9543 58.2049 28.4066 174.9173 5 P 4.3554 0.0000 0.0000 63.5415 32.4325 175.8582 6 V 4.4840 7.9499 120.7181 60.2176 34.6768 172.6375 7 P 4.2040 0.0000 0.0000 63.4074 31.4434 176.3242 8 K 4.3121 8.5603 122.9009 57.1188 32.8619 176.2402 9 K 4.5792 7.4182 115.5637 54.9871 35.9586 175.3186 10 K 4.0235 8.5229 124.0935 56.4598 32.6771 176.5580 11 T 4.1056 8.3890 117.1056 60.8603 69.6168 174.4968 12 S 4.1842 8.6819 120.6210 58.3511 63.6792 175.3739 13 K 3.8018 8.9095 122.5172 60.2196 31.7025 177.8272 14 A 4.2006 8.1588 121.8515 53.5518 17.9934 178.4957 15 R 4.0892 7.7589 122.0539 58.4178 30.9906 178.8866 16 R 4.0154 8.2263 118.8607 59.6788 29.7359 177.8410 17 D 4.3296 8.1176 117.7692 57.4669 40.8330 178.5191 18 A 4.1300 8.4405 121.5263 55.6739 18.0431 179.6879 19 R 3.8821 7.6834 115.1527 58.8188 30.2796 177.9658 20 R 4.2224 9.1902 117.3531 56.3729 30.1758 178.1908 21 S 4.0739 7.2769 115.1379 61.7127 62.7276 174.9606 22 H 4.7935 7.4456 116.4144 55.8913 28.4930 175.6203 23 H 4.5740 9.0980 120.0671 57.1756 29.1575 175.8642 24 A 3.8132 7.9878 120.6732 52.0815 18.4370 177.0395 25 L 4.2077 8.3771 124.4700 54.9274 43.0159 175.7022 26 T 4.5211 8.0879 116.2529 58.9630 69.0985 171.7735 27 P 4.2190 0.0000 0.0000 62.5003 31.3957 174.2148 28 P 4.3913 0.0000 0.0000 63.0209 31.6205 175.5893 29 T 4.4918 8.3013 108.5636 60.2963 70.3012 173.2069 30 L 4.8628 8.4283 125.6072 53.2067 45.2385 175.8112 31 V 4.4000 8.9088 112.4550 59.7933 36.1551 174.8306 32 P 3.9851 0.0000 0.0000 65.2480 31.5375 173.4261 33 C 4.0885 8.0830 122.3653 58.2537 33.9816 169.8917 34 P 4.5498 0.0000 0.0000 63.9003 29.3054 178.6294 35 E 3.1151 8.1151 109.0074 58.6163 31.0067 176.4682 36 C 4.4226 7.9830 117.2353 59.7569 29.5063 174.1410 37 K 4.1926 8.4836 121.6797 57.3748 32.8674 177.2995 38 A 4.5691 7.4972 125.5924 52.6553 20.5956 177.1419 39 M 5.1918 8.2684 112.8811 54.2434 36.0235 175.3017 40 K 4.7819 8.3106 118.3557 54.5793 37.2937 173.7353 41 P 5.0380 0.0000 0.0000 60.8815 32.6076 174.1261 42 P 4.2329 0.0000 0.0000 63.7874 32.1577 175.4468 43 H 4.1689 8.6681 116.4796 57.2996 26.3674 175.0139 44 T 4.4910 7.7529 112.6413 61.7703 72.2316 174.6055 45 V 3.8096 8.0267 124.9023 61.5728 31.2165 174.3625 46 C 4.5159 8.1892 128.0802 56.9820 32.6674 171.6404 47 P 4.7962 0.0000 0.0000 62.7290 27.6146 174.1720 48 E 4.8096 7.3723 125.3886 57.0797 37.4300 176.0686 49 C 4.3923 8.1628 118.9809 59.9649 30.6018 175.1441 50 G 4.0149 7.9809 105.2483 45.2841 0.0000 171.0608 51 Y 4.6012 7.8794 124.5613 55.9381 41.5150 173.0043 52 Y 4.6041 6.6625 116.2966 56.3423 39.7905 176.3535 53 A 3.9703 9.2306 126.0358 51.9096 17.1904 177.5477 54 G 4.2044 7.3657 102.8715 43.0285 0.0000 174.0679 55 R 4.3118 8.3297 121.7609 57.2797 32.3053 175.6197 56 K 4.4295 7.4788 122.9140 57.8409 37.4239 176.5079 57 V 3.8432 9.3258 112.4782 61.4304 29.8555 177.0957 58 L 4.6867 8.7404 120.9612 54.1351 46.2902 174.6034 59 E 4.6603 8.0407 118.9215 55.8905 32.3557 175.2422 60 V 3.9263 8.0147 117.7365 63.7374 31.4873 171.9446 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 1.36 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 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 4.07 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 0.96 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 0.54 0.00 0.00 0.28 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 6.66 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 7.37 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 0.70 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