NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0174 8.3544 109.7367 45.1549 0.0000 174.3149 2 I 3.8908 7.3345 117.8118 60.5479 40.1683 171.6772 3 V 3.4853 7.6645 119.4864 65.9479 32.1965 176.9635 4 E 3.5135 8.0292 118.1187 58.6829 29.5512 177.9154 5 Q 4.1931 7.8379 118.2133 58.3404 29.7785 177.1114 6 C 4.7243 8.2934 116.3985 57.8321 41.2216 174.7470 7 C 4.2268 8.6334 119.3284 60.3509 31.2079 174.7738 8 T 4.2662 7.6131 110.1736 64.7462 69.3146 177.5302 9 S 4.4833 7.8353 116.7839 56.5437 64.1147 170.8106 10 I 3.3084 7.7463 127.8200 60.9541 37.5843 173.4744 11 C 4.7185 8.4321 121.0946 55.8157 37.1338 173.7992 12 S 4.6116 8.1746 116.6595 57.6340 64.5397 175.2775 13 L 3.8562 8.2373 124.4126 58.7390 42.0155 178.4462 14 Y 4.2076 7.6159 116.0795 61.1383 37.4155 178.0763 15 Q 4.0670 8.2863 118.5357 59.0694 28.7962 178.8629 16 L 4.4500 7.9078 119.9981 57.6584 41.5939 179.2259 17 E 4.0392 8.1676 118.8039 59.3541 29.0981 178.9500 18 N 4.2664 7.4947 114.7702 55.6873 38.4413 175.3155 19 Y 4.6272 7.0048 115.8162 57.8116 38.1664 175.2056 20 C 4.4386 8.0362 121.0355 58.7569 32.5709 173.0500 21 N 4.5224 8.5481 120.9956 53.7846 38.5683 174.7751 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 G 8.35 4.02 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 0.00 0.00 0.00 2 I 7.33 3.89 0.79 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.45 0.63 0.00 0.00 3 V 7.66 3.49 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.85 0.00 0.00 4 E 8.03 3.51 0.00 1.98 1.97 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 2.29 2.36 0.00 5 Q 7.84 4.19 0.00 2.12 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 6 C 8.29 4.72 0.00 2.94 3.08 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 0.00 0.00 0.00 0.00 7 C 8.63 4.23 0.00 2.89 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 8 T 7.61 4.27 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 1.25 0.00 0.00 9 S 7.84 4.48 0.00 3.84 3.85 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 10 I 7.75 3.31 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.22 0.92 0.00 0.00 11 C 8.43 4.72 0.00 3.02 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 12 S 8.17 4.61 0.00 3.98 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 13 L 8.24 3.86 0.00 1.43 1.12 0.76 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.62 4.21 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 15 Q 8.29 4.07 0.00 2.43 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.96 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 16 L 7.91 4.45 0.00 1.82 1.80 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.17 4.04 0.00 2.29 2.02 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 2.33 2.33 0.00 18 N 7.49 4.27 0.00 1.88 2.44 0.00 0.00 6.75 7.26 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 19 Y 7.00 4.63 0.00 3.09 2.99 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 20 C 8.04 4.44 0.00 2.98 2.84 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 0.00 0.00 0.00 21 N 8.55 4.52 0.00 2.72 2.68 0.00 0.00 6.88 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00