NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 R 4.0241 8.2393 119.7079 57.2729 31.6108 175.2461 9 E 3.3862 8.1079 109.3080 58.0090 27.4997 173.3543 10 C 5.3335 9.1312 122.2381 55.2795 44.7886 175.4489 11 C 4.9933 8.5836 118.4986 55.6141 41.5753 173.9086 12 L 4.3079 8.4266 123.0360 55.7254 42.7943 176.7326 13 E 4.4052 7.5598 114.8857 54.7723 33.4740 174.1748 14 Y 4.8884 7.9016 118.8390 56.5668 39.9051 175.5179 15 F 4.6315 9.2933 124.9493 57.6091 38.8626 175.2623 16 K 4.2369 8.1883 127.1398 56.2434 32.0377 177.7419 17 G 3.2191 5.6558 108.6341 44.3601 0.0000 173.0206 18 A 4.4331 8.2581 121.4117 51.1688 19.8525 176.8059 19 I 4.3097 8.0553 121.5816 58.8742 39.1792 174.4050 20 P 4.5451 0.0000 0.0000 60.8799 30.3835 176.0586 21 L 3.3315 8.1227 125.9246 57.5716 41.6549 178.3797 22 R 4.4189 7.7540 116.0256 56.2164 30.3717 176.3945 23 K 4.3133 8.6577 117.8368 58.2310 33.0705 177.1284 24 L 4.6877 7.6911 117.3540 54.5291 42.2901 176.1355 25 K 4.7332 9.7122 121.3080 57.4606 34.8120 175.2857 26 T 4.9211 7.8529 108.3072 61.2442 71.9887 171.9265 27 W 6.0026 8.6346 117.3249 56.6436 31.1294 172.8698 28 Y 4.1454 7.7793 116.7344 56.4394 40.5925 172.6393 29 Q 5.1756 8.4876 119.3352 54.2037 30.4106 176.0339 30 T 4.2820 8.1367 114.4201 61.6578 69.6984 174.0028 31 S 4.2943 8.2300 117.4425 58.8368 63.2627 175.3316 32 E 4.3522 8.5313 121.4929 57.5915 29.7834 177.4586 33 D 4.5016 7.9838 117.5469 57.7383 41.2606 177.8125 34 C 4.3344 7.5511 115.3611 56.9561 40.6299 173.7452 35 S 4.0641 8.8970 119.1423 60.4130 62.1806 174.1653 36 R 4.6258 7.6952 119.3420 54.2478 31.6221 174.8645 37 D 4.7126 8.6995 124.8007 54.3911 41.8196 175.2732 38 A 4.9289 8.2211 121.8803 51.1614 23.1641 174.8451 39 I 4.3136 8.9787 121.4879 59.8165 39.4891 175.0581 40 V 4.6071 7.9829 127.4527 61.4035 32.8877 174.7827 41 F 5.1486 9.0648 127.4232 56.6045 40.7416 174.9470 42 V 4.9624 9.1798 122.6589 61.3656 33.8581 175.7044 43 T 4.5198 9.4633 119.6935 60.9445 70.0786 176.0541 44 V 3.7003 8.7428 115.8596 64.0184 31.5515 177.4606 45 Q 4.4432 8.1314 115.9754 55.7885 28.6118 176.7495 46 G 3.9898 8.1506 107.0396 46.0461 0.0000 174.6911 47 R 4.4419 7.5334 118.9125 55.7560 31.6097 175.3794 48 A 5.2685 8.4789 121.9109 50.4108 22.5322 175.5092 49 I 4.4459 8.9157 120.9928 59.4168 40.2927 174.5482 50 C 4.9367 8.9737 125.3843 57.2136 39.6552 172.8947 51 S 5.0451 9.4791 120.3762 56.1908 66.6523 173.0078 52 D 3.3700 8.1662 123.6105 54.0841 41.3838 175.3056 53 P 4.4478 0.0000 0.0000 63.8566 31.5086 176.4603 54 N 4.7004 9.0415 116.2866 53.1545 39.8104 175.2554 55 N 4.5053 7.7259 118.5822 52.6853 40.6304 175.4662 56 K 3.9345 8.5829 127.5006 60.4003 32.7869 179.4891 57 R 3.9742 8.3300 118.6854 57.9658 29.8583 179.2258 58 V 3.6923 7.5961 118.2610 65.9317 31.8388 177.9706 59 K 3.8439 8.0052 118.1552 59.3723 31.7989 178.8662 60 N 4.3237 8.2709 117.3030 56.4038 38.7413 176.8976 61 A 3.9912 7.9736 122.3628 54.9300 18.3602 179.7678 62 V 3.0592 7.9968 116.8283 65.8763 31.3617 178.0187 63 K 3.8158 7.4961 117.0074 60.6263 32.2213 177.6143 64 Y 4.1040 8.3602 118.4375 61.4643 38.2748 178.4418 65 L 3.4229 8.3858 116.8184 57.6566 41.9454 179.1682 66 Q 3.9433 8.7357 121.0633 58.7096 28.9693 179.0994 67 S 4.4703 7.8305 111.8112 58.8253 63.3849 174.7681 68 L 4.1220 8.6308 122.4803 55.8733 41.8654 176.6564 69 E 4.2635 7.8716 122.4007 56.2044 29.6116 175.6552 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 8 R 8.24 4.02 0.00 1.82 1.98 0.00 3.24 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 9 E 8.11 3.39 0.00 2.36 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 10 C 9.13 5.33 0.00 2.95 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.58 4.99 0.00 3.01 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 12 L 8.43 4.31 0.00 1.58 1.65 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 13 E 7.56 4.41 0.00 1.85 1.75 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 2.11 2.24 0.00 14 Y 7.90 4.89 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.29 4.63 0.00 2.94 3.10 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 0.00 0.00 0.00 0.00 16 K 8.19 4.24 0.00 1.62 1.72 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.38 7.81 17 G 5.66 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 0.00 0.00 0.00 18 A 8.26 4.43 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 19 I 8.06 4.31 1.69 0.00 0.00 0.71 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 0.64 0.55 0.00 0.00 20 P 0.00 4.55 0.00 2.24 2.18 0.00 3.34 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.06 0.00 21 L 8.12 3.33 0.00 1.25 0.99 0.57 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.75 4.42 0.00 1.70 1.90 0.00 3.35 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 23 K 8.66 4.31 0.00 1.93 1.81 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.51 7.81 24 L 7.69 4.69 0.00 1.74 1.75 0.44 0.75 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 25 K 9.71 4.73 0.00 1.77 1.84 0.00 1.79 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.45 7.81 26 T 7.85 4.92 4.35 0.00 0.00 0.00 0.00 0.00 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 27 W 8.63 6.00 0.00 3.07 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 28 Y 7.78 4.15 0.00 2.85 2.78 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 0.00 0.00 0.00 29 Q 8.49 5.18 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.02 0.00 0.00 0.00 0.00 0.00 2.41 2.60 0.00 30 T 8.14 4.28 4.53 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 1.31 0.00 0.00 31 S 8.23 4.29 0.00 4.20 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 32 E 8.53 4.35 0.00 1.95 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 2.30 2.34 0.00 33 D 7.98 4.50 0.00 2.72 2.72 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 34 C 7.55 4.33 0.00 3.10 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 35 S 8.90 4.06 0.00 3.83 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 36 R 7.70 4.63 0.00 1.76 1.75 0.00 3.10 0.00 0.00 2.49 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 37 D 8.70 4.71 0.00 2.79 2.64 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 38 A 8.22 4.93 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.98 4.31 1.74 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.61 0.12 0.00 0.00 40 V 7.98 4.61 0.94 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 0.76 0.00 0.00 0.86 0.00 0.00 41 F 9.06 5.15 0.00 3.06 2.98 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 0.00 0.00 0.00 42 V 9.18 4.96 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 1.14 0.00 0.00 1.12 0.00 0.00 43 T 9.46 4.52 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 44 V 8.74 3.70 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 0.78 0.00 0.00 0.98 0.00 0.00 45 Q 8.13 4.44 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.69 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 46 G 8.15 3.99 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 0.00 0.00 0.00 47 R 7.53 4.44 0.00 1.74 1.83 0.00 3.04 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 48 A 8.48 5.27 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 49 I 8.92 4.45 2.08 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.01 0.93 0.00 0.00 50 C 8.97 4.94 0.00 3.07 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 S 9.48 5.05 0.00 3.89 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 52 D 8.17 3.37 0.00 2.02 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 0.00 0.00 0.00 0.00 53 P 0.00 4.45 0.00 2.04 2.03 0.00 3.54 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.13 0.00 54 N 9.04 4.70 0.00 2.79 2.80 0.00 0.00 6.88 7.88 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 55 N 7.73 4.51 0.00 2.63 2.72 0.00 0.00 6.81 7.47 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 56 K 8.58 3.93 0.00 1.99 2.03 0.00 1.53 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.50 7.81 57 R 8.33 3.97 0.00 1.93 1.95 0.00 3.24 0.00 0.00 3.05 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 58 V 7.60 3.69 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.99 0.00 0.00 59 K 8.01 3.84 0.00 1.95 1.79 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.84 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.44 1.60 7.81 60 N 8.27 4.32 0.00 2.89 2.93 0.00 0.00 7.00 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 61 A 7.97 3.99 1.11 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 0.00 0.00 62 V 8.00 3.06 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 0.29 0.00 0.00 63 K 7.50 3.82 0.00 1.97 1.91 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.69 7.81 64 Y 8.36 4.10 0.00 2.95 3.09 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 0.00 0.00 0.00 0.00 65 L 8.39 3.42 0.00 1.96 1.78 1.28 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 8.74 3.94 0.00 2.30 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 67 S 7.83 4.47 0.00 3.96 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.63 4.12 0.00 1.48 1.68 0.81 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 69 E 7.87 4.26 0.00 2.09 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 2.27 2.32 0.00