NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.0480 8.2549 119.6836 55.8345 32.0941 176.8789 3 Y 4.6274 7.2268 115.5809 55.0194 39.3186 171.7446 4 P 4.4355 0.0000 0.0000 64.7442 33.5419 178.1567 5 Y 3.9205 8.2375 120.7236 59.6081 39.4242 176.9291 6 Y 4.0420 8.3332 120.3003 60.4179 39.0487 177.5364 7 L 4.1505 8.0043 121.3232 57.8369 42.2695 178.9713 8 S 4.2260 7.7249 115.5191 60.4129 62.9013 176.0744 9 D 4.1730 7.5448 121.7241 57.1166 41.0471 178.2668 10 I 3.6573 7.4288 120.0837 64.5832 37.1320 178.3545 11 T 3.9359 7.7464 110.2989 64.9983 68.1621 176.2255 12 D 4.3749 7.9918 121.2492 57.0701 40.6469 178.8642 13 V 3.6936 7.6658 118.6392 66.0254 31.6124 178.1618 14 I 3.8904 7.7181 119.0066 63.6666 36.7546 178.2505 15 F 4.1087 8.0476 121.8309 61.5716 39.4961 177.3699 16 I 3.8473 7.8347 118.8446 64.2168 36.9463 177.4460 17 Y 3.6946 8.0116 121.2158 60.5735 38.7114 177.8115 18 F 4.1312 8.4987 118.0758 60.0831 38.7964 177.6555 19 A 3.8250 7.5365 120.1849 54.9919 18.3208 179.0020 20 A 4.0409 7.8170 118.4900 55.4246 18.5503 179.9007 21 L 3.8143 7.7965 116.5999 57.3093 41.3582 179.4814 22 S 4.1717 7.6750 115.2987 61.3342 63.1057 174.7091 23 P 4.3443 0.0000 0.0000 66.0597 30.8227 178.0139 24 A 4.0530 7.5830 121.3232 54.4313 17.9129 179.3167 25 I 3.9707 7.5365 116.9431 63.7773 37.6241 178.0730 26 T 4.0412 7.6063 116.1367 66.5577 68.4142 175.8876 27 F 4.5482 7.9833 120.2084 61.6319 40.3365 174.4571 28 G 3.9697 8.0224 101.2532 43.3518 0.0000 176.6800 29 G 5.0378 7.9016 119.4012 45.8125 0.0000 171.9677 30 L 3.9733 7.3326 120.0365 55.1919 42.4426 175.8042 31 L 4.2374 8.1089 127.6322 56.8496 42.5084 177.6667 32 G 3.8145 7.5351 108.1770 45.2307 0.0000 172.5902 33 E 4.1164 8.3101 120.3251 57.2422 30.3572 176.6927 34 K 4.1953 7.7232 122.3002 56.4495 32.5853 176.2063 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 R 8.25 4.05 0.00 1.81 2.07 0.00 3.21 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 3 Y 7.23 4.63 0.00 3.09 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.44 0.00 2.34 2.18 0.00 3.81 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 2.17 1.99 0.00 5 Y 8.24 3.92 0.00 3.17 3.12 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 0.00 6 Y 8.33 4.04 0.00 3.36 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 7 L 8.00 4.15 0.00 2.10 1.67 0.97 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 8 S 7.72 4.23 0.00 3.77 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.54 4.17 0.00 2.46 2.24 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 0.00 10 I 7.43 3.66 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 1.78 1.13 0.88 0.00 0.00 11 T 7.75 3.94 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 D 7.99 4.37 0.00 2.95 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 13 V 7.67 3.69 2.20 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 0.92 0.00 0.00 0.94 0.00 0.00 14 I 7.72 3.89 2.11 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.05 1.11 0.00 0.00 15 F 8.05 4.11 0.00 3.14 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 16 I 7.83 3.85 2.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.22 0.94 0.00 0.00 17 Y 8.01 3.69 0.00 3.20 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 18 F 8.50 4.13 0.00 3.33 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.54 3.83 1.23 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 0.00 0.00 0.00 20 A 7.82 4.04 1.25 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 0.00 0.00 0.00 21 L 7.80 3.81 0.00 1.74 1.67 0.65 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 22 S 7.67 4.17 0.00 4.13 3.95 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 P 0.00 4.34 0.00 2.27 2.30 0.00 3.79 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.02 0.00 24 A 7.58 4.05 1.37 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 0.00 0.00 0.00 25 I 7.54 3.97 1.97 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.71 0.93 0.00 0.00 26 T 7.61 4.04 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 1.26 0.00 0.00 27 F 7.98 4.55 0.00 2.95 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.02 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.90 5.04 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 30 L 7.33 3.97 0.00 1.52 1.57 0.84 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.11 4.24 0.00 1.67 1.62 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 32 G 7.54 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 0.00 0.00 0.00 33 E 8.31 4.12 0.00 1.92 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 2.27 2.38 0.00 34 K 7.72 4.20 0.00 1.74 1.65 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.38 7.81