NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5614 8.2185 120.3122 52.8511 41.1110 175.8743 2 A 3.7526 8.4691 119.9868 54.5672 18.1289 178.4568 3 C 4.0547 8.4667 116.7737 60.1078 42.0527 173.6147 4 E 3.7819 8.7199 120.7055 59.5991 29.2042 178.9607 5 Q 3.9656 8.0902 117.6651 58.6651 28.6616 178.4732 6 A 3.9788 8.2932 121.9248 54.9532 18.3820 179.3956 7 A 4.0362 7.9202 119.2306 55.6951 18.3029 180.0942 8 I 3.7137 7.3925 116.4995 64.1257 37.2046 177.9690 9 Q 4.2050 7.9230 116.8460 55.9476 28.9189 175.0403 10 C 3.9569 8.3541 116.5786 58.4476 32.3229 174.1684 11 V 4.2348 7.3628 120.7408 60.5904 31.0808 175.1259 12 E 4.1064 8.6834 128.1259 58.7375 30.2641 179.1916 13 S 4.1452 8.2324 112.9303 61.1076 63.2834 175.7501 14 A 4.2110 8.0206 121.5774 53.9708 18.0157 178.6298 15 C 4.2773 8.1895 115.7860 59.9655 39.9912 175.7813 16 E 3.8911 7.6443 119.6139 59.1279 29.3883 178.5167 17 S 4.4197 8.0196 111.9060 59.5824 63.7647 174.4837 18 L 4.5844 7.8076 120.0741 54.5160 42.6872 175.3354 19 C 5.5052 7.8646 116.1794 53.8623 38.5785 174.2669 20 T 4.2324 8.6798 112.2545 61.4453 69.7678 173.5954 21 E 3.9657 8.6811 122.8816 57.2494 30.2889 177.5130 22 G 4.0288 8.9090 107.1483 44.4496 0.0000 175.8955 23 E 3.9284 8.9755 121.2618 59.1771 29.2679 178.0524 24 D 4.3263 8.0491 117.5656 57.4560 41.5191 178.3423 25 R 3.9799 7.7854 118.6660 59.5682 29.9802 179.1827 26 T 4.0793 8.0647 115.7499 66.6866 68.4875 177.0171 27 G 3.6286 8.6087 108.0255 47.6474 0.0000 175.0826 28 C 4.3709 8.1725 120.3974 59.8450 44.4699 175.0354 29 Y 4.1702 8.0087 120.8115 61.0700 38.5130 177.8141 30 M 3.7957 8.4795 120.0105 58.2889 31.8584 178.1347 31 Y 3.8822 8.1467 119.6937 60.6287 39.0235 178.0513 32 I 3.5758 7.6748 120.5881 64.6897 37.0546 177.8747 33 Y 2.4772 7.3921 119.0146 59.8433 38.4772 177.7078 34 S 4.3452 7.3417 114.0133 60.1851 63.5425 174.4602 35 N 4.7833 7.4525 115.6936 52.9522 41.3128 172.8180 36 C 5.0540 7.8794 115.1974 54.7138 42.8386 171.7328 37 P 4.6197 0.0000 0.0000 62.5738 31.4078 173.9950 38 P 4.6170 0.0000 0.0000 63.1418 31.4712 176.4676 39 Y 4.0743 7.7086 119.0556 60.1577 38.1532 176.2111 40 V 3.9937 7.5941 116.9021 61.3230 32.1171 175.3083 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 D 8.22 4.56 0.00 2.91 2.90 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 2 A 8.47 3.75 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 C 8.47 4.05 0.00 3.22 3.27 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 4 E 8.72 3.78 0.00 2.09 2.06 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 2.19 2.25 0.00 5 Q 8.09 3.97 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.57 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 6 A 8.29 3.98 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 7 A 7.92 4.04 1.35 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 0.00 0.00 0.00 8 I 7.39 3.71 1.77 0.00 0.00 0.69 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 0.16 0.89 0.00 0.00 9 Q 7.92 4.21 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.59 0.00 0.00 0.00 0.00 0.00 2.63 2.55 0.00 10 C 8.35 3.96 0.00 3.20 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 11 V 7.36 4.23 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 1.08 0.00 0.00 1.02 0.00 0.00 12 E 8.68 4.11 0.00 2.20 2.04 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 2.45 2.47 0.00 13 S 8.23 4.15 0.00 4.06 4.14 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 14 A 8.02 4.21 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 15 C 8.19 4.28 0.00 3.11 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.64 3.89 0.00 2.09 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 2.31 0.00 17 S 8.02 4.42 0.00 4.06 3.98 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 18 L 7.81 4.58 0.00 1.75 1.73 0.93 0.91 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 19 C 7.86 5.51 0.00 2.90 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 20 T 8.68 4.23 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 21 E 8.68 3.97 0.00 1.87 1.94 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 2.32 2.33 0.00 22 G 8.91 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.98 3.93 0.00 2.05 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 2.39 2.39 0.00 24 D 8.05 4.33 0.00 2.83 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.79 3.98 0.00 1.85 1.97 0.00 3.18 0.00 0.00 3.16 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 26 T 8.06 4.08 4.40 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 1.26 0.00 0.00 27 G 8.61 3.63 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 0.00 0.00 0.00 28 C 8.17 4.37 0.00 3.22 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.01 4.17 0.00 3.07 3.11 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 30 M 8.48 3.80 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.46 0.00 31 Y 8.15 3.88 0.00 3.17 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.67 3.58 1.98 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.93 0.96 0.00 0.00 33 Y 7.39 2.48 0.00 2.20 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.34 4.35 0.00 3.99 4.02 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 0.00 0.00 0.00 35 N 7.45 4.78 0.00 2.10 2.14 0.00 0.00 7.12 8.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 C 7.88 5.05 0.00 3.29 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 37 P 0.00 4.62 0.00 2.12 2.01 0.00 3.77 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 1.98 1.94 0.00 38 P 0.00 4.62 0.00 1.91 1.96 0.00 3.18 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.62 0.00 39 Y 7.71 4.07 0.00 2.84 2.66 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 40 V 7.59 3.99 2.06 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 0.77 0.00 0.00 0.98 0.00 0.00