NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3007 8.2649 123.5808 51.6125 19.9514 176.3263 2 T 3.6852 8.2350 117.3987 63.5589 69.0432 171.6134 3 L 4.7511 7.8811 124.0964 52.5464 45.7635 176.3367 4 T 4.1461 8.0597 110.4782 61.3295 70.7322 175.1647 5 A 3.9511 8.4204 122.6743 55.2464 18.3591 179.4823 6 E 3.8490 8.0779 117.2122 59.7375 29.8509 179.0044 7 Q 4.0601 7.8204 117.9787 58.5894 28.7146 178.5887 8 S 4.0919 8.3622 114.8803 61.4749 62.5701 176.1041 9 E 4.0497 8.1437 121.3419 59.2565 28.9585 179.1062 10 E 4.0496 8.1388 117.9508 59.3596 29.9877 178.8299 11 L 4.1348 8.1431 120.3876 58.5442 42.1544 178.5703 12 H 4.2698 8.5283 118.0623 58.9475 29.6633 177.1814 13 K 3.9352 8.0750 120.2223 59.8827 31.8023 178.7542 14 Y 3.8451 8.2336 116.5042 60.7062 37.7333 178.5534 15 V 3.5907 7.7033 118.9231 65.9541 31.7634 177.9933 16 I 3.6501 7.9991 119.9416 64.5296 36.9906 178.0849 17 D 4.4422 8.2921 119.9409 57.3806 40.6304 179.2443 18 G 3.6542 8.3580 106.2812 48.0648 0.0000 175.8160 19 T 3.9397 8.0789 118.2304 66.6050 68.3806 176.9111 20 R 3.9467 8.1060 119.9230 59.0270 30.0631 179.2202 21 V 3.5715 7.9106 118.1292 65.9715 31.4706 177.7096 22 F 3.9280 8.3478 120.3018 61.2543 39.1306 176.7307 23 L 4.1574 8.5188 120.2775 58.1275 41.9903 179.0805 24 G 3.6447 8.3550 105.8130 47.9979 0.0000 175.6517 25 L 3.9760 7.9694 121.6652 57.2665 41.4907 179.5226 26 A 3.9518 8.1817 121.0459 54.9409 18.2856 179.6900 27 L 3.9804 8.3351 118.0042 57.9413 41.6876 179.7543 28 V 3.6781 7.7566 117.6860 66.1127 31.4220 177.8844 29 A 4.0300 8.3200 120.6156 55.6363 18.1295 179.3884 30 H 4.2447 8.7773 115.0706 58.7924 28.7697 177.8192 31 F 4.2723 8.6034 122.6210 61.4486 39.4062 177.1953 32 L 3.9356 8.4160 118.4770 57.7250 41.2955 179.4614 33 A 4.0687 8.3937 120.9208 54.9894 18.1272 179.3378 34 F 4.2059 8.6177 118.6983 61.7780 39.5024 177.3187 35 S 3.8649 7.8067 113.3347 60.0520 62.7115 174.7485 36 A 4.5769 7.6318 120.8092 51.7996 19.1022 175.6136 37 T 4.7559 7.4378 111.8710 60.7128 72.0122 173.3031 38 P 4.1807 0.0000 0.0000 63.7439 31.7320 176.7129 39 W 4.5370 7.4565 129.2379 59.0332 30.8065 175.2914 40 L 3.1741 8.6690 122.7958 54.5148 38.9196 174.2256 41 H 4.4663 8.1922 121.8111 56.4280 29.4119 174.4137 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 4.30 1.26 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 0.00 0.00 2 T 8.24 3.69 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 3 L 7.88 4.75 0.00 1.60 1.56 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.06 4.15 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 5 A 8.42 3.95 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.08 3.85 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.41 0.00 7 Q 7.82 4.06 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 8 S 8.36 4.09 0.00 3.97 4.04 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 9 E 8.14 4.05 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 10 E 8.14 4.05 0.00 2.14 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 0.00 2.40 2.48 0.00 11 L 8.14 4.13 0.00 1.76 1.87 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.53 4.27 0.00 3.46 3.33 0.00 5.85 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.08 3.94 0.00 2.12 1.79 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.53 7.81 14 Y 8.23 3.85 0.00 3.30 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 15 V 7.70 3.59 2.05 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 1.01 0.00 0.00 1.00 0.00 0.00 16 I 8.00 3.65 1.83 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 1.52 0.77 0.89 0.00 0.00 17 D 8.29 4.44 0.00 2.74 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 8.36 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 0.00 0.00 0.00 19 T 8.08 3.94 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 1.20 0.00 0.00 20 R 8.11 3.95 0.00 2.05 1.98 0.00 3.21 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 21 V 7.91 3.57 2.28 0.00 0.00 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 1.01 0.00 0.00 22 F 8.35 3.93 0.00 3.23 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 23 L 8.52 4.16 0.00 1.93 1.90 0.97 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.36 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.97 3.98 0.00 1.61 1.59 0.84 0.58 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 26 A 8.18 3.95 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 27 L 8.34 3.98 0.00 1.88 1.76 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.76 3.68 2.26 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 1.15 0.00 0.00 0.99 0.00 0.00 29 A 8.32 4.03 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.78 4.24 0.00 3.50 3.65 0.00 5.82 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.60 4.27 0.00 3.22 3.32 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 32 L 8.42 3.94 0.00 1.93 1.73 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.39 4.07 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 34 F 8.62 4.21 0.00 2.96 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.81 3.86 0.00 3.76 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.63 4.58 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 37 T 7.44 4.76 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 38 P 0.00 4.18 0.00 2.24 2.11 0.00 3.66 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.07 0.00 39 W 7.46 4.54 0.00 3.34 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.67 3.17 0.00 1.48 1.50 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 41 H 8.19 4.47 0.00 3.16 3.19 0.00 5.70 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00