NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4465 8.1933 115.2942 58.3260 63.8047 174.2553 5 S 4.0212 8.4232 121.1811 59.0190 62.5017 174.9171 6 L 4.1501 8.0766 123.7108 57.8737 42.3123 177.5832 7 Y 4.2534 8.0942 119.3788 60.4954 38.8493 177.3192 8 K 4.2325 7.9097 118.8468 58.6828 31.8257 179.1983 9 T 3.9146 7.1078 108.8529 64.1272 69.3273 176.9198 10 F 3.9239 7.2507 118.4776 59.5552 39.1215 177.0419 11 F 4.6415 7.8351 113.5565 55.3539 41.4852 175.7313 12 K 3.8943 8.5372 116.1544 57.4853 28.7362 174.3567 13 R 4.1831 8.2091 110.3077 56.4981 29.1063 176.3472 14 N 5.0592 7.7363 113.5578 51.4189 40.9964 174.6694 15 A 4.5477 8.4653 124.0217 51.3239 19.1828 177.4863 16 V 3.1607 7.9253 119.9159 62.4406 32.1822 176.8522 17 F 4.6767 8.3915 125.8501 57.2816 40.8634 176.7099 18 V 3.3635 8.4305 121.1518 65.9470 31.1870 178.7583 19 G 3.6427 7.9327 105.0935 47.8895 0.0000 175.8800 20 T 4.0118 7.8131 117.5705 66.1851 68.4298 176.7519 21 I 3.5835 7.9458 122.3044 64.3117 37.2806 178.1983 22 F 4.6070 7.5673 117.7933 60.7865 38.4930 177.3624 23 A 3.8702 8.0977 120.3422 55.4480 18.1516 180.0165 24 G 3.6830 8.2347 103.6948 47.8479 0.0000 175.5992 25 A 4.2044 8.5949 123.5161 55.0946 18.0206 179.8570 26 F 4.0763 8.7062 115.9749 60.7650 39.1175 177.6392 27 V 3.7543 7.6248 116.6566 66.5026 31.1962 177.2525 28 F 4.1179 8.5147 119.7734 61.8885 38.9889 176.8393 29 Q 3.9246 8.2250 118.5218 59.6762 28.9851 179.7203 30 T 3.8290 7.6353 115.0443 66.7226 68.7357 176.7504 31 V 3.5025 7.8111 120.0368 66.1330 31.5000 177.4488 32 F 3.9265 8.5232 120.2519 61.3556 39.0364 176.5973 33 D 3.9166 7.6367 117.0210 57.7159 40.9569 178.1773 34 T 3.8008 7.7655 115.7983 66.6011 68.4323 176.0671 35 A 3.9680 7.6901 122.1056 55.3790 18.3422 179.6890 36 I 3.5426 7.2123 117.7274 64.8458 37.0933 178.5839 37 T 3.9456 8.1145 116.8712 66.9837 68.2572 176.6338 38 S 4.1205 8.3699 116.8584 61.4485 62.8993 176.3096 39 W 4.1699 8.4281 131.0077 60.8234 30.1408 177.3846 40 Y 4.0880 8.6589 118.5901 60.7557 38.5741 177.4712 41 E 3.9789 8.5353 119.7374 59.3127 29.5252 178.6339 42 N 4.0727 8.3039 117.3765 57.1791 38.7923 176.0698 43 H 3.6268 7.3934 118.0016 58.7541 29.8448 175.7178 44 N 4.6221 7.2026 115.9926 51.6640 38.8273 174.5173 45 K 4.0606 7.2769 122.3586 58.4073 32.5867 176.3522 46 G 4.0403 9.7460 113.9802 45.2549 0.0000 174.5765 47 K 4.2204 7.5228 117.6005 58.0843 33.2197 177.8986 48 L 4.2177 7.6197 117.8254 54.5438 43.3916 177.9415 49 W 4.4010 8.7121 129.5936 60.5394 30.4901 178.2149 50 K 3.6738 8.1072 117.3393 59.6958 31.7512 178.4563 51 D 4.3495 7.8087 118.4304 57.2426 40.5135 178.7715 52 V 3.6009 7.4108 118.0227 65.2486 31.2486 177.9723 53 K 3.0896 7.1760 118.8650 58.6823 32.0929 178.3584 54 A 4.0710 7.2822 120.0293 54.6947 18.0516 179.2336 55 K 4.0465 7.0875 112.3577 57.1340 31.8127 177.3090 56 I 4.1367 7.4462 126.2839 61.5095 37.8561 175.1547 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 4 S 8.19 4.45 0.00 3.91 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.42 4.02 0.00 4.00 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 6 L 8.08 4.15 0.00 1.86 1.83 1.06 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.09 4.25 0.00 3.16 3.01 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 8 K 7.91 4.23 0.00 1.97 1.88 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.61 1.76 7.81 9 T 7.11 3.91 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 10 F 7.25 3.92 0.00 2.48 1.64 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 11 F 7.84 4.64 0.00 2.05 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 12 K 8.54 3.89 0.00 1.91 1.79 0.00 2.03 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.28 7.81 13 R 8.21 4.18 0.00 2.07 2.13 0.00 3.08 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 14 N 7.74 5.06 0.00 2.82 2.67 0.00 0.00 6.82 7.72 0.00 0.00 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 A 8.47 4.55 1.29 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 0.00 0.00 16 V 7.93 3.16 1.81 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 0.41 0.00 0.00 0.07 0.00 0.00 17 F 8.39 4.68 0.00 3.02 2.80 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 18 V 8.43 3.36 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 0.58 0.00 0.00 0.79 0.00 0.00 19 G 7.93 3.64 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 0.00 0.00 0.00 20 T 7.81 4.01 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 21 I 7.95 3.58 1.65 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.70 0.78 0.00 0.00 22 F 7.57 4.61 0.00 2.99 2.95 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 0.00 0.00 0.00 23 A 8.10 3.87 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 24 G 8.23 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.59 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 26 F 8.71 4.08 0.00 3.28 3.19 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 0.00 27 V 7.62 3.75 2.38 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 1.08 0.00 0.00 1.08 0.00 0.00 28 F 8.51 4.12 0.00 3.22 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.22 3.92 0.00 2.38 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.60 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 30 T 7.64 3.83 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 31 V 7.81 3.50 2.26 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 1.02 0.00 0.00 1.02 0.00 0.00 32 F 8.52 3.93 0.00 1.80 2.31 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 33 D 7.64 3.92 0.00 2.80 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 34 T 7.77 3.80 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 1.20 0.00 0.00 35 A 7.69 3.97 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 36 I 7.21 3.54 1.63 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 -0.13 0.75 0.00 0.00 37 T 8.11 3.95 4.38 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 1.25 0.00 0.00 38 S 8.37 4.12 0.00 4.07 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 39 W 8.43 4.17 0.00 3.44 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 40 Y 8.66 4.09 0.00 3.29 3.31 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 41 E 8.54 3.98 0.00 2.15 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 2.41 2.68 0.00 42 N 8.30 4.07 0.00 2.78 2.71 0.00 0.00 6.89 7.47 0.00 0.00 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 H 7.39 3.63 0.00 1.89 2.59 0.00 5.99 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 7.20 4.62 0.00 2.42 2.59 0.00 0.00 6.56 8.36 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 45 K 7.28 4.06 0.00 1.76 1.62 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.41 7.81 46 G 9.75 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 47 K 7.52 4.22 0.00 1.93 1.84 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.75 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.35 7.81 48 L 7.62 4.22 0.00 1.89 1.62 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 49 W 8.71 4.40 0.00 3.38 3.11 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 0.00 50 K 8.11 3.67 0.00 1.70 1.80 0.00 1.80 0.00 0.00 1.85 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.58 7.81 51 D 7.81 4.35 0.00 2.77 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.41 3.60 1.88 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 0.97 0.00 0.00 1.00 0.00 0.00 53 K 7.18 3.09 0.00 0.79 1.38 0.00 1.79 0.00 0.00 1.55 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.21 1.17 7.81 54 A 7.28 4.07 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 55 K 7.09 4.05 0.00 1.50 1.79 0.00 1.58 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.51 7.81 56 I 7.45 4.14 1.92 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 1.27 0.81 0.92 0.00 0.00