NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1369 8.0093 120.7867 61.0140 39.1778 174.5128 2 T 4.4828 8.2387 115.7448 59.4221 71.2468 171.4247 3 A 4.6770 7.9348 125.0812 50.5355 23.3601 176.9707 4 K 4.4002 8.2247 118.6488 54.9242 34.1236 175.1476 5 P 4.3034 0.0000 0.0000 62.1353 31.8020 176.4264 6 A 4.0270 8.5068 123.2012 52.8851 18.5904 178.4117 7 K 4.2147 8.7112 122.5698 58.9657 32.6341 177.7139 8 T 4.5915 7.3316 107.4610 58.0844 68.4276 170.8813 9 P 4.1339 0.0000 0.0000 64.2463 32.2001 176.4073 10 T 4.9258 8.3955 118.2504 60.8284 68.9546 175.0663 11 S 4.3682 8.2529 122.0409 57.4282 65.0759 173.0492 12 P 4.1930 0.0000 0.0000 65.5799 31.0350 178.9057 13 K 3.9006 7.9447 117.9267 59.6484 32.3023 178.6354 14 E 4.0046 7.9665 118.3575 59.4502 29.2615 179.4068 15 Q 3.9923 8.4961 118.3717 58.7938 28.7470 178.5204 16 A 3.9461 8.2472 122.0789 55.0647 18.2977 179.8490 17 I 3.7414 7.7782 118.3612 64.4745 37.1979 178.9084 18 G 3.5832 8.2014 106.6693 47.5917 0.0000 175.5010 19 L 3.8693 8.2140 123.2018 57.9339 42.0401 179.2342 20 S 3.9980 7.9943 115.0315 61.6232 62.8192 176.8575 21 V 3.6365 7.9879 120.9799 66.2433 31.3857 178.1648 22 T 4.0478 8.1968 115.4282 66.8950 68.4285 176.5987 23 F 4.2774 8.8978 120.0252 60.7719 38.9525 177.8313 24 L 4.1813 8.6245 119.1949 57.7135 41.1667 179.6801 25 S 4.2190 8.2595 113.5053 60.9031 61.5839 176.0851 26 F 4.3729 8.0485 120.3415 59.9566 39.0619 178.0455 27 L 4.4098 8.2238 118.5818 57.4648 41.4311 179.4328 28 L 4.0475 8.1616 119.0020 57.3747 41.6692 177.6259 29 P 4.2813 0.0000 0.0000 65.6628 31.3181 178.5162 30 A 4.2177 7.6480 118.2179 55.1933 18.2581 179.8254 31 G 3.6808 8.5144 104.5040 47.6489 0.0000 175.5856 32 W 4.1931 8.8015 131.2529 60.2814 30.5844 178.0860 33 V 3.8447 8.0683 116.6166 66.3475 31.2060 177.6761 34 L 4.1720 8.3157 118.7479 57.8994 41.1800 178.9493 35 Y 3.9223 8.0826 118.9642 60.5372 39.1077 176.6651 36 H 4.3886 7.6707 115.3992 55.5456 28.7606 176.9162 37 L 3.9109 7.0977 124.4139 58.3100 41.6201 179.3679 38 D 4.2933 7.7327 117.8361 57.2225 40.5203 178.3875 39 N 4.3804 7.3516 115.9054 55.7501 38.4462 176.7072 40 Y 4.5586 7.1661 117.0475 60.8612 38.5451 177.1780 41 K 4.2498 7.7096 117.6096 58.2530 32.8150 177.4702 42 K 4.4381 7.2476 125.2775 54.5710 32.5353 176.2448 43 S 4.2680 8.2409 119.8963 58.9203 63.7073 175.5641 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 I 8.01 4.14 1.87 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 1.47 1.35 0.91 0.00 0.00 2 T 8.24 4.48 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 A 7.93 4.68 1.21 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 0.00 0.00 4 K 8.22 4.40 0.00 1.87 1.82 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.45 7.81 5 P 0.00 4.30 0.00 2.06 2.03 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 6 A 8.51 4.03 1.28 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 0.00 0.00 7 K 8.71 4.21 0.00 1.76 1.88 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.42 7.81 8 T 7.33 4.59 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 9 P 0.00 4.13 0.00 2.05 2.05 0.00 3.63 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 2.03 2.27 0.00 10 T 8.40 4.93 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 11 S 8.25 4.37 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.19 0.00 2.16 2.13 0.00 3.59 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 13 K 7.94 3.90 0.00 1.77 1.79 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.47 7.81 14 E 7.97 4.00 0.00 2.21 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 2.34 0.00 15 Q 8.50 3.99 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 16 A 8.25 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 17 I 7.78 3.74 2.03 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.75 0.91 0.00 0.00 18 G 8.20 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.21 3.87 0.00 1.71 1.69 0.49 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 20 S 7.99 4.00 0.00 4.04 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 21 V 7.99 3.64 2.12 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 1.07 0.00 0.00 1.05 0.00 0.00 22 T 8.20 4.05 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 23 F 8.90 4.28 0.00 2.95 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.62 4.18 0.00 1.95 1.79 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.26 4.22 0.00 4.03 4.06 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.05 4.37 0.00 3.27 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 4.41 0.00 1.80 1.78 0.99 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.16 4.05 0.00 1.78 1.75 0.95 0.96 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 29 P 0.00 4.28 0.00 2.17 2.09 0.00 3.82 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.14 0.00 30 A 7.65 4.22 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 31 G 8.51 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.80 4.19 0.00 3.52 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.07 3.84 2.40 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 1.10 0.00 0.00 1.33 0.00 0.00 34 L 8.32 4.17 0.00 2.02 1.75 0.99 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 8.08 3.92 0.00 2.97 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.67 4.39 0.00 2.41 2.32 0.00 5.88 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.10 3.91 0.00 1.71 1.67 0.94 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 38 D 7.73 4.29 0.00 2.57 2.57 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 0.00 0.00 0.00 0.00 39 N 7.35 4.38 0.00 2.33 2.72 0.00 0.00 7.02 6.74 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 40 Y 7.17 4.56 0.00 3.05 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 41 K 7.71 4.25 0.00 1.85 1.90 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.76 7.81 42 K 7.25 4.44 0.00 1.72 1.68 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.40 7.81 43 S 8.24 4.27 0.00 4.01 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00