NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.3294 8.2493 123.5823 51.0402 18.7979 176.3175 7 P 4.3404 0.0000 0.0000 61.9069 32.3050 175.4916 8 D 4.9223 8.9567 121.6154 52.0130 44.1043 177.6165 9 F 4.0477 8.7894 119.5194 62.4899 39.1226 177.3648 10 H 4.5271 8.2386 115.0655 58.9872 28.3825 177.4339 11 D 4.3247 8.5650 120.2629 57.1472 40.7115 178.7652 12 K 3.7430 7.5455 117.7556 58.9398 32.3691 178.2591 13 Y 4.6164 7.7466 114.6524 57.3842 38.7932 177.9778 14 G 3.7881 8.1022 108.0718 48.2250 0.0000 175.5874 15 N 4.3478 8.1378 118.8600 55.5642 38.5076 177.3967 16 A 3.9805 7.8841 121.7942 54.9979 18.6022 179.4377 17 V 3.5648 8.4518 117.1948 66.1512 31.5938 177.7542 18 L 3.9465 8.2318 119.8191 58.2089 42.0139 178.5664 19 A 4.0168 8.1606 120.7516 55.4964 18.3422 179.8574 20 S 4.2970 8.6324 113.1153 61.2347 63.1546 176.6787 21 G 3.7461 8.5419 109.5501 47.6393 0.0000 175.4081 22 A 4.0405 8.0683 123.6415 55.0940 18.4525 179.7260 23 T 3.8467 7.7834 113.6834 66.8594 68.5018 176.5749 24 F 4.2723 8.7378 122.8378 61.4238 39.4724 176.6604 25 C 4.0181 8.7211 118.7006 62.5544 31.3947 175.6851 26 V 3.6271 8.0760 119.7430 65.9653 31.1183 177.8888 27 A 4.0279 8.0329 120.8002 55.1571 18.2242 180.0567 28 V 3.5275 7.8222 117.9534 64.5847 31.4838 178.7524 29 W 3.8166 8.2421 119.6768 59.3637 28.7537 178.6849 30 V 3.7128 8.2318 118.4733 66.0556 30.9007 177.5331 31 Y 4.0499 8.2092 119.3061 60.9596 38.4650 177.4686 32 M 3.8818 8.3208 118.0306 58.7270 32.3356 177.7694 33 A 4.6666 8.1994 120.1160 54.3405 18.7190 178.5800 34 T 4.6195 7.5676 105.5325 61.4528 70.4680 174.7279 35 Q 4.4298 7.8993 118.4648 55.4017 29.8559 175.6084 36 I 4.2535 7.4524 109.5829 60.1519 38.1801 175.7384 37 G 3.7933 8.2309 107.4823 46.3879 0.0000 173.8494 38 I 3.4981 7.4627 120.0606 60.5763 37.4856 175.4514 39 E 4.2484 8.3047 126.3178 54.9903 29.1606 175.7799 40 W 4.3297 8.7971 126.7259 56.8691 30.3205 175.9556 41 N 4.1176 8.4421 116.5553 53.9330 36.8035 170.8067 42 P 4.5886 0.0000 0.0000 61.8928 32.9828 176.4873 43 S 4.2197 8.3379 113.1935 57.9089 62.7917 172.5646 44 P 4.3413 0.0000 0.0000 64.6865 30.1252 176.6372 45 V 3.7409 7.6281 119.5343 64.0999 31.4839 176.5847 46 G 3.6070 9.0852 114.7327 45.8939 0.0000 173.2131 47 R 4.3395 7.6330 116.3462 57.0723 32.5634 175.5181 48 V 4.1622 8.0352 116.5284 61.5383 32.7072 175.0621 49 T 4.3866 8.2456 123.4704 61.4138 68.8486 173.1511 50 P 4.4370 0.0000 0.0000 62.5546 32.0404 175.8226 51 K 4.6819 8.2322 121.1773 54.0159 35.2515 175.7547 52 E 4.0576 8.8990 124.1760 56.9141 29.8050 177.0636 53 W 4.8700 7.8936 117.3271 56.3545 30.2930 175.2350 54 R 3.1999 6.8249 122.8438 56.0914 29.3091 175.7272 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 6 A 8.25 4.33 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 7 P 0.00 4.34 0.00 2.21 2.03 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 8 D 8.96 4.92 0.00 2.97 2.91 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 9 F 8.79 4.05 0.00 3.24 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 10 H 8.24 4.53 0.00 3.41 3.43 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.57 4.32 0.00 2.70 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 7.55 3.74 0.00 0.79 0.77 0.00 1.58 0.00 0.00 1.54 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.20 1.45 7.81 13 Y 7.75 4.62 0.00 2.25 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.10 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.14 4.35 0.00 2.73 2.88 0.00 0.00 6.92 7.11 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 16 A 7.88 3.98 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.45 3.56 2.32 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 1.17 0.00 0.00 1.16 0.00 0.00 18 L 8.23 3.95 0.00 1.90 1.91 0.95 1.40 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 19 A 8.16 4.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.63 4.30 0.00 4.06 4.16 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.54 3.75 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 0.00 0.00 0.00 22 A 8.07 4.04 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.78 3.85 4.39 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 1.28 0.00 0.00 24 F 8.74 4.27 0.00 3.12 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.72 4.02 0.00 3.24 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 26 V 8.08 3.63 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.94 0.00 0.00 27 A 8.03 4.03 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 28 V 7.82 3.53 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.70 0.00 0.00 29 W 8.24 3.82 0.00 3.58 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.23 3.71 2.27 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 1.05 0.00 0.00 1.00 0.00 0.00 31 Y 8.21 4.05 0.00 2.99 3.03 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 0.00 0.00 0.00 0.00 32 M 8.32 3.88 0.00 1.92 1.88 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 33 A 8.20 4.67 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.57 4.62 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 1.24 0.00 0.00 35 Q 7.90 4.43 0.00 0.93 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.05 0.00 0.00 0.00 0.00 0.00 2.08 2.32 0.00 36 I 7.45 4.25 1.77 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.53 0.60 0.00 0.00 37 G 8.23 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.46 3.50 1.52 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.36 -0.24 0.00 0.00 39 E 8.30 4.25 0.00 1.83 1.77 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 2.23 2.43 0.00 40 W 8.80 4.33 0.00 3.31 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.44 4.12 0.00 2.83 2.85 0.00 0.00 7.19 7.24 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 42 P 0.00 4.59 0.00 2.24 2.09 0.00 3.90 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 43 S 8.34 4.22 0.00 3.86 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 44 P 0.00 4.34 0.00 2.22 2.09 0.00 3.66 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 45 V 7.63 3.74 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 0.94 0.00 0.00 0.93 0.00 0.00 46 G 9.09 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.63 4.34 0.00 1.73 1.88 0.00 3.26 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 48 V 8.04 4.16 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 0.85 0.00 0.00 0.94 0.00 0.00 49 T 8.25 4.39 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 1.23 0.00 0.00 50 P 0.00 4.44 0.00 2.08 2.04 0.00 3.64 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 51 K 8.23 4.68 0.00 1.69 1.68 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.45 7.81 52 E 8.90 4.06 0.00 1.97 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.23 0.00 53 W 7.89 4.87 0.00 3.53 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 R 6.82 3.20 0.00 0.67 1.15 0.00 3.17 0.00 0.00 3.06 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.98 0.00