NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3305 8.2649 122.4610 52.2075 20.7014 175.6705 2 T 4.1796 8.1914 115.5688 61.9271 69.9922 173.2650 3 C 5.5565 9.2703 124.8307 55.2304 42.8105 172.8740 4 Y 4.8537 9.0058 118.8914 56.4278 41.8921 174.0507 5 C 5.2272 8.9285 120.2190 56.1354 42.5915 173.1366 6 R 4.9895 9.2540 124.2657 54.5340 31.9486 177.9609 7 T 3.7165 8.9850 113.4499 63.6882 69.5474 174.4524 8 G 4.1676 7.5556 110.2192 43.8047 0.0000 173.1116 9 R 4.2050 8.2293 117.7596 55.7324 30.8211 177.3353 10 C 4.4474 8.4878 117.2561 56.6013 42.2786 173.9547 11 A 4.2894 8.7467 125.9221 52.3807 18.5164 179.2018 12 T 3.9292 8.3721 109.7633 64.2550 69.0076 175.5643 13 R 4.2861 7.9155 118.8282 56.3195 30.5311 175.7482 14 E 4.7911 7.9017 118.3984 54.8954 31.6168 175.1163 15 S 4.7846 8.5832 114.2319 56.2642 66.5277 173.2601 16 L 4.5967 8.6623 124.5551 55.7175 41.6298 176.2519 17 S 4.5886 9.3643 123.1235 58.1207 64.6558 175.0104 18 G 3.9737 6.8789 105.4285 45.9560 0.0000 171.5903 19 V 5.0235 8.1758 111.5728 59.8622 35.8368 175.8217 20 C 5.0689 9.3452 119.9957 55.3156 43.3965 172.9010 21 E 5.1871 8.7777 121.7569 54.8448 31.1907 175.6862 22 I 4.3942 8.6562 125.6109 60.5499 40.3463 176.1110 23 S 3.8523 9.9145 123.3509 59.7306 60.2865 173.2564 24 G 3.9522 8.4010 103.8110 45.6875 0.0000 173.2226 25 R 4.6371 7.9815 119.1327 53.9615 32.9718 173.7061 26 L 5.2558 8.2109 124.7906 54.0805 43.7227 175.0121 27 Y 4.9223 9.0159 122.0636 56.0724 42.7978 174.8058 28 R 4.4322 8.8596 121.1861 56.0726 31.9041 175.7010 29 L 4.8836 8.8918 126.4035 54.4827 43.2316 174.4236 30 C 5.4889 9.3373 125.5998 55.4976 43.1092 172.6503 31 C 5.7834 9.1819 121.3321 54.9990 43.9415 174.5432 32 R 4.2914 8.6777 117.8990 56.5313 28.9196 174.8199 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 1 A 8.26 4.33 1.24 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 0.00 0.00 2 T 8.19 4.18 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 1.10 0.00 0.00 3 C 9.27 5.56 0.00 2.69 2.89 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 4 Y 9.01 4.85 0.00 2.94 2.81 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 5 C 8.93 5.23 0.00 2.70 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 6 R 9.25 4.99 0.00 1.77 1.95 0.00 3.16 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 7 T 8.98 3.72 4.13 0.00 0.00 0.00 0.00 0.00 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 8 G 7.56 4.17 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 0.00 9 R 8.23 4.21 0.00 1.82 1.88 0.00 3.21 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 10 C 8.49 4.45 0.00 2.98 3.05 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 11 A 8.75 4.29 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.37 3.93 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 13 R 7.92 4.29 0.00 1.84 2.02 0.00 3.20 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 14 E 7.90 4.79 0.00 2.18 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 2.35 2.28 0.00 15 S 8.58 4.78 0.00 3.84 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 16 L 8.66 4.60 0.00 1.68 1.66 1.03 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 17 S 9.36 4.59 0.00 3.73 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 18 G 6.88 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 19 V 8.18 5.02 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 0.79 0.00 0.00 0.96 0.00 0.00 20 C 9.35 5.07 0.00 2.82 2.89 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 21 E 8.78 5.19 0.00 1.85 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 2.26 2.34 0.00 22 I 8.66 4.39 1.64 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.84 0.83 0.00 0.00 23 S 9.91 3.85 0.00 4.01 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 24 G 8.40 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 0.00 0.00 0.00 25 R 7.98 4.64 0.00 1.85 2.07 0.00 2.98 0.00 0.00 2.86 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.35 0.00 26 L 8.21 5.26 0.00 1.68 1.50 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 9.02 4.92 0.00 2.91 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 28 R 8.86 4.43 0.00 1.84 1.90 0.00 3.39 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 29 L 8.89 4.88 0.00 1.80 1.69 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 30 C 9.34 5.49 0.00 3.00 3.24 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 31 C 9.18 5.78 0.00 2.85 2.92 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 32 R 8.68 4.29 0.00 1.79 1.87 0.00 3.15 0.00 0.00 3.38 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.61 0.00