NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3290 8.3044 120.3502 55.0097 33.0892 173.9465 2 K 3.6479 8.7138 119.5517 56.6085 32.2809 176.5020 3 R 4.2965 8.4961 126.1166 55.7024 32.0449 175.8976 4 T 3.9338 8.1473 112.9949 65.1176 67.6461 174.1215 5 F 4.0637 8.2310 123.8520 58.3463 39.5921 174.6952 6 Q 4.2197 7.7169 127.3841 52.7802 29.9278 173.5403 7 P 3.8208 0.0000 0.0000 63.0207 31.6642 176.4450 8 S 4.3531 8.1626 111.0285 57.5009 63.5159 176.0609 9 V 3.6007 8.2347 129.3072 64.6854 30.8284 177.9583 10 L 3.9496 7.5448 120.8471 57.2901 42.1469 178.2057 11 K 3.9849 7.9855 117.4833 59.8653 32.2071 178.5110 12 R 3.9298 7.6725 118.4443 60.1590 29.9441 177.9046 13 N 4.3877 8.1260 115.7289 55.1420 38.7529 175.8774 14 R 5.0637 7.7420 116.3980 55.0879 29.9584 176.2788 15 S 4.6460 7.9841 112.1604 61.0619 69.9074 175.2591 16 H 4.9569 8.4496 113.2414 55.0298 30.5064 176.2081 17 G 4.6219 8.0163 107.6011 44.9930 0.0000 172.0956 18 F 4.6435 8.9218 118.0607 60.0018 41.4023 178.6269 19 R 4.0049 8.5380 117.3468 59.4152 30.3003 178.1166 20 A 4.0366 8.0983 120.0715 55.3432 18.9557 179.1588 21 R 4.3277 7.1306 114.2817 55.5970 29.0168 176.5224 22 M 4.5661 7.6625 112.5190 56.7358 38.2679 175.6832 23 A 4.6483 7.9732 121.8142 51.5355 19.4134 176.4520 24 T 4.5758 7.4821 112.0157 61.6913 70.5273 173.2092 25 K 3.9532 9.0232 130.1445 59.9441 32.5661 177.5749 26 N 4.4782 8.3182 115.5076 56.4053 38.6047 178.2984 27 G 3.9096 8.8979 109.6176 44.6089 0.0000 174.3859 28 R 4.5001 7.6274 118.2575 56.3168 37.0189 176.3540 29 Q 4.0100 8.1549 118.7688 58.7743 28.8852 178.4018 30 V 3.5462 7.6852 119.0636 65.9401 31.4670 177.5132 31 L 3.9792 7.9562 116.5321 57.8953 41.7228 178.9395 32 A 4.1564 7.7998 119.7743 56.1193 18.2424 179.0018 33 R 3.8178 8.3575 115.8382 60.0484 31.1427 177.3991 34 R 4.5201 8.2064 119.1169 54.5027 26.5669 174.4457 35 R 4.5006 7.2493 125.0302 58.0790 37.2474 175.8336 36 A 4.2677 8.4691 118.4915 53.2074 18.6271 177.6821 37 K 4.1588 7.8789 116.3280 56.2562 32.8237 177.5075 38 G 3.9554 8.1619 106.4495 44.6311 0.0000 173.3873 39 R 3.6650 7.6493 118.1593 56.6056 30.3007 175.3938 40 A 4.1922 8.3270 128.6419 55.1404 19.3164 179.0761 41 R 4.2803 7.6766 115.7721 54.7467 28.5742 177.0701 42 L 3.8276 7.7884 123.6327 57.8655 42.6546 178.9133 43 T 4.6820 7.2767 105.1672 61.1281 69.5891 173.3342 44 V 3.3171 7.2917 118.6833 64.0647 30.6032 173.4889 45 S 3.6759 8.1962 107.1907 61.4731 62.5392 174.5458 46 K 4.1828 8.4958 121.8226 55.8640 32.4900 176.0975 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 M 8.30 4.33 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 K 8.71 3.65 0.00 1.83 1.74 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.52 7.81 3 R 8.50 4.30 0.00 1.89 1.95 0.00 3.45 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 4 T 8.15 3.93 4.28 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 1.26 0.00 0.00 5 F 8.23 4.06 0.00 3.05 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 6 Q 7.72 4.22 0.00 1.83 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.66 0.00 0.00 0.00 0.00 0.00 2.16 2.17 0.00 7 P 0.00 3.82 0.00 2.19 2.24 0.00 3.63 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.02 0.00 8 S 8.16 4.35 0.00 3.73 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 9 V 8.23 3.60 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 0.71 0.00 0.00 0.95 0.00 0.00 10 L 7.54 3.95 0.00 1.66 1.67 0.92 0.59 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 11 K 7.99 3.98 0.00 1.82 1.88 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.51 7.81 12 R 7.67 3.93 0.00 1.87 2.17 0.00 3.20 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 13 N 8.13 4.39 0.00 2.96 2.91 0.00 0.00 6.70 9.01 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 14 R 7.74 5.06 0.00 1.90 1.98 0.00 3.06 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 15 S 7.98 4.65 0.00 4.04 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 16 H 8.45 4.96 0.00 3.10 3.29 0.00 5.86 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.02 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 0.00 0.00 0.00 0.00 18 F 8.92 4.64 0.00 3.03 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 19 R 8.54 4.00 0.00 1.90 2.04 0.00 3.33 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.77 0.00 20 A 8.10 4.04 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 21 R 7.13 4.33 0.00 1.89 1.97 0.00 3.33 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 22 M 7.66 4.57 0.00 1.77 1.98 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 23 A 7.97 4.65 1.25 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 0.00 0.00 0.00 24 T 7.48 4.58 4.21 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 1.22 0.00 0.00 25 K 9.02 3.95 0.00 1.71 1.84 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.54 7.81 26 N 8.32 4.48 0.00 2.81 2.83 0.00 0.00 6.99 7.59 0.00 0.00 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 G 8.90 3.91 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 0.00 0.00 0.00 28 R 7.63 4.50 0.00 2.09 1.88 0.00 3.13 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 29 Q 8.15 4.01 0.00 2.33 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 30 V 7.69 3.55 2.07 0.00 0.00 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 0.95 0.00 0.00 31 L 7.96 3.98 0.00 1.79 1.76 0.77 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.80 4.16 1.38 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 0.00 0.00 33 R 8.36 3.82 0.00 2.13 1.91 0.00 3.17 0.00 0.00 3.45 8.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 34 R 8.21 4.52 0.00 2.00 1.99 0.00 3.13 0.00 0.00 3.47 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 35 R 7.25 4.50 0.00 2.08 2.06 0.00 3.20 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 36 A 8.47 4.27 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 37 K 7.88 4.16 0.00 1.76 1.88 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.37 7.81 38 G 8.16 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.65 3.67 0.00 1.77 1.99 0.00 3.29 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 40 A 8.33 4.19 1.27 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 0.00 0.00 41 R 7.68 4.28 0.00 1.89 1.91 0.00 3.17 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 42 L 7.79 3.83 0.00 1.64 1.79 1.02 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.28 4.68 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 44 V 7.29 3.32 2.14 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 0.79 0.00 0.00 0.96 0.00 0.00 45 S 8.20 3.68 0.00 3.94 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.50 4.18 0.00 1.68 1.69 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.44 7.81