NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.3724 8.4449 120.3684 56.1273 31.0155 172.2756 3 Y 4.8473 8.1419 120.3508 55.7914 39.5339 172.7263 4 E 4.1592 9.4536 122.7679 56.7689 31.1033 176.2303 5 E 4.6078 8.5850 120.5670 55.2602 33.5052 175.2641 6 G 3.8410 8.7093 106.2338 43.6774 0.0000 171.1544 7 P 4.3131 0.0000 0.0000 64.1087 31.4343 177.6521 8 G 3.9022 8.8508 110.3320 45.5339 0.0000 173.8467 9 K 4.3604 8.1554 117.7001 56.2770 33.5748 176.2109 10 N 4.9078 7.8359 115.9264 52.2558 37.9728 174.6877 11 I 4.4145 7.0834 110.5332 59.5365 40.4743 172.7822 12 P 4.4806 0.0000 0.0000 62.9427 31.3057 175.3783 13 F 4.9542 6.6818 112.6742 55.1550 40.9200 173.8710 14 S 4.5674 8.5077 115.4493 57.4270 63.3244 174.0636 15 V 4.4451 7.9329 118.6216 61.1418 32.1685 176.9243 16 E 3.9762 8.3140 122.5458 58.7615 29.6544 176.9807 17 N 4.9281 7.8759 117.1099 51.3169 41.4879 175.0181 18 K 3.8548 8.3301 127.7186 59.3735 32.7669 179.2853 19 W 4.3743 7.7091 120.1539 59.6335 29.1359 178.3280 20 R 3.9890 8.5951 118.8284 59.0809 29.4273 178.1420 21 L 3.9419 8.2807 120.6992 58.2166 42.0105 178.7374 22 L 3.9265 7.8910 119.8054 57.9856 42.0192 178.4458 23 A 4.0426 8.0499 120.7193 55.6994 18.2260 179.1020 24 M 3.9642 8.1496 116.8313 59.3608 32.0760 179.2189 25 M 4.1510 8.3841 118.5070 58.5385 32.1203 179.1152 26 T 3.9936 8.3933 116.4881 66.5564 68.5652 176.7612 27 L 4.0324 8.1060 120.9219 58.2577 41.1428 178.7327 28 F 4.0574 8.5879 120.9202 61.5647 39.1555 177.0964 29 F 4.3023 9.0620 117.6322 60.3175 38.8321 178.2385 30 G 3.7399 8.4425 105.9865 47.6748 0.0000 175.9886 31 S 4.2731 8.4652 117.1165 61.0839 62.6389 177.0390 32 G 3.4660 7.4925 107.5053 47.6370 0.0000 175.1464 33 F 4.3498 8.1523 122.1755 60.9373 39.6490 176.7109 34 A 4.4459 8.8275 120.6474 54.7058 18.2466 179.0785 35 A 4.0270 7.8945 119.1601 55.4247 18.4143 178.2832 36 P 4.0986 0.0000 0.0000 65.4032 31.2232 178.9607 37 F 3.8716 7.9326 116.8928 60.5628 38.8488 177.7426 38 F 3.9847 8.3960 116.8400 60.3119 38.6983 177.7899 39 I 3.9036 8.1084 119.9259 64.2025 36.7785 178.5718 40 V 3.5313 7.8108 119.3092 65.6821 31.2225 177.9453 41 R 3.7936 8.1252 118.8260 59.7845 29.7241 177.6137 42 H 4.0651 8.4318 116.8417 59.6745 29.9005 176.7520 43 Q 4.0705 8.3379 119.6772 59.0917 28.3956 178.8080 44 L 4.0408 7.9608 118.7740 57.4746 41.7089 178.8673 45 L 4.2210 7.9835 116.8524 56.1191 41.6346 178.3137 46 K 4.2648 7.5892 118.4604 57.2153 32.7587 176.3018 47 K 4.1264 7.5207 124.0778 56.6271 32.5645 175.9656 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 H 8.44 4.37 0.00 3.05 3.19 0.00 5.68 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.14 4.85 0.00 3.13 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 9.45 4.16 0.00 1.95 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 5 E 8.59 4.61 0.00 1.87 1.78 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 2.25 2.20 0.00 6 G 8.71 3.84 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 0.00 0.00 0.00 7 P 0.00 4.31 0.00 2.02 2.00 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 8 G 8.85 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.16 4.36 0.00 1.78 1.79 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.60 7.81 10 N 7.84 4.91 0.00 2.77 2.85 0.00 0.00 5.81 7.81 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 11 I 7.08 4.41 0.56 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.25 0.64 0.00 0.00 12 P 0.00 4.48 0.00 2.21 2.14 0.00 3.60 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.96 0.00 13 F 6.68 4.95 0.00 3.02 2.88 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 14 S 8.51 4.57 0.00 3.82 3.80 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 15 V 7.93 4.45 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 0.87 0.00 0.00 0.88 0.00 0.00 16 E 8.31 3.98 0.00 1.91 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 17 N 7.88 4.93 0.00 2.78 2.66 0.00 0.00 6.86 6.75 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 18 K 8.33 3.85 0.00 1.52 1.70 0.00 0.86 0.00 0.00 1.00 0.00 0.00 2.68 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.46 0.21 7.81 19 W 7.71 4.37 0.00 3.63 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 20 R 8.60 3.99 0.00 2.05 2.14 0.00 3.14 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 21 L 8.28 3.94 0.00 1.83 1.83 0.97 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.89 3.93 0.00 1.98 2.01 0.97 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.05 4.04 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.15 3.96 0.00 1.96 2.30 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.99 0.00 25 M 8.38 4.15 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.49 0.00 26 T 8.39 3.99 4.65 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 1.27 0.00 0.00 27 L 8.11 4.03 0.00 1.94 1.75 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.59 4.06 0.00 2.97 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 29 F 9.06 4.30 0.00 3.30 3.04 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 30 G 8.44 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.47 4.27 0.00 4.00 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 32 G 7.49 3.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.15 4.35 0.00 3.21 3.38 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 34 A 8.83 4.45 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 7.89 4.03 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 36 P 0.00 4.10 0.00 1.61 1.84 0.00 3.62 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.06 0.00 37 F 7.93 3.87 0.00 3.19 2.88 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 38 F 8.40 3.98 0.00 3.19 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 39 I 8.11 3.90 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.06 0.91 0.00 0.00 40 V 7.81 3.53 2.10 0.00 0.00 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 0.80 0.00 0.00 41 R 8.13 3.79 0.00 1.75 2.09 0.00 3.09 0.00 0.00 2.97 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 42 H 8.43 4.07 0.00 3.19 3.55 0.00 6.01 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.34 4.07 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.57 0.00 0.00 0.00 0.00 0.00 2.44 2.55 0.00 44 L 7.96 4.04 0.00 1.57 1.71 0.89 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.98 4.22 0.00 1.72 1.70 0.94 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.59 4.26 0.00 1.77 1.75 0.00 1.51 0.00 0.00 1.47 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.28 7.81 47 K 7.52 4.13 0.00 1.63 1.58 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.39 7.81