#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8f h THR 2 N 0.00 1.23 -0.45 0.00 1.35 -2.08 -3.45 112.91 109.50 2k8f h THR 2 Ca 0.00 -1.07 -0.34 0.00 -0.55 0.00 0.00 66.41 64.44 2k8f h THR 2 Cb 0.00 1.46 0.03 0.00 -1.73 0.00 0.00 68.15 67.91 2k8f h THR 2 CO 0.00 0.32 -0.04 0.00 -0.25 0.00 0.00 175.52 175.55 2k8f n GLN 3 N -4.17 0.00 -3.20 4.72 6.02 -1.26 -4.91 117.38 114.58 2k8f n GLN 3 Ca -0.01 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.95 2k8f n GLN 3 Cb 0.35 -0.62 0.02 0.00 1.02 0.00 0.00 30.24 31.01 2k8f n GLN 3 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2k8f n SER 4 N 0.73 -1.34 -0.12 1.08 2.88 -1.26 -4.95 113.62 110.64 2k8f n SER 4 Ca 0.09 -1.74 0.14 0.00 -1.33 0.00 0.00 58.87 56.03 2k8f n SER 4 Cb 0.05 2.18 0.52 0.00 -0.75 0.00 0.00 64.21 66.22 2k8f n SER 4 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2k8f h PRO 5 N 0.00 0.37 -0.49 -1.46 0.11 -1.97 1.17 132.00 129.73 2k8f h PRO 5 Ca -0.21 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.93 2k8f h PRO 5 Cb 0.89 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.88 2k8f h PRO 5 CO 0.27 0.25 0.33 0.78 -0.21 0.00 0.00 178.00 179.42 2k8f h GLY 6 N 0.38 0.57 1.81 -0.55 0.00 -1.94 1.48 103.07 104.82 2k8f h GLY 6 Ca 0.33 -0.19 -0.17 0.00 0.00 0.00 0.00 47.33 47.29 2k8f h GLY 6 CO -0.09 0.16 -0.90 -1.80 0.00 0.00 0.00 176.54 173.91 2k8f h ASP 7 N 0.49 0.00 0.16 0.19 1.82 0.88 -2.35 116.42 117.61 2k8f h ASP 7 Ca 0.20 0.00 -0.17 0.00 -0.39 0.00 0.00 57.03 56.67 2k8f h ASP 7 Cb 0.20 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.21 2k8f h ASP 7 CO -0.05 0.75 -0.65 -1.28 -1.61 0.00 0.00 179.24 176.40 2k8f h SER 8 N 0.00 0.53 -0.17 2.28 0.87 0.25 0.25 113.55 117.56 2k8f h SER 8 Ca -0.05 -0.32 -0.13 0.00 -1.23 0.00 0.00 61.79 60.06 2k8f h SER 8 Cb 1.61 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 63.41 2k8f h SER 8 CO 0.09 1.04 -0.35 0.03 -0.53 0.00 0.00 176.83 177.10 2k8f h ARG 9 N 0.33 0.69 -0.10 2.24 3.08 0.19 0.89 114.38 121.70 2k8f h ARG 9 Ca -0.01 -0.33 -0.14 0.00 0.07 0.00 0.00 59.98 59.56 2k8f h ARG 9 Cb 1.20 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.24 2k8f h ARG 9 CO 0.11 0.94 -0.57 0.00 -1.07 0.00 0.00 179.97 179.38 2k8f h ARG 10 N 0.57 0.31 0.00 0.04 2.47 -1.17 -1.97 114.38 114.63 2k8f h ARG 10 Ca 0.06 -0.20 -0.16 0.00 -1.26 0.00 0.00 59.98 58.42 2k8f h ARG 10 Cb 0.87 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 29.20 2k8f h ARG 10 CO 0.08 0.79 -0.74 -0.07 0.56 0.00 0.00 179.97 180.59 2k8f h LEU 11 N 0.24 0.00 -0.13 3.04 3.38 -0.07 -1.89 115.31 119.87 2k8f h LEU 11 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2k8f h LEU 11 Cb 1.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 2k8f h LEU 11 CO 0.09 0.74 0.03 -1.28 0.09 0.00 0.00 178.44 178.11 2k8f h SER 12 N 0.00 0.20 0.81 -0.43 0.87 0.12 -2.10 113.55 113.03 2k8f h SER 12 Ca -0.01 -0.24 -0.09 0.00 -1.23 0.00 0.00 61.79 60.22 2k8f h SER 12 Cb 1.41 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 63.30 2k8f h SER 12 CO 0.10 0.39 -0.42 0.16 -0.53 0.00 0.00 176.83 176.53 2k8f h ILE 13 N 0.01 0.99 -0.67 2.23 3.07 -1.38 -2.26 117.51 119.49 2k8f h ILE 13 Ca 0.04 -1.64 -0.04 0.00 1.55 0.00 0.00 64.86 64.77 2k8f h ILE 13 Cb 0.27 1.98 -0.03 0.00 -0.27 0.00 0.00 36.82 38.77 2k8f h ILE 13 CO 0.00 0.41 0.28 -0.61 -1.05 0.00 0.00 178.15 177.19 2k8f h GLN 14 N 0.00 0.99 -0.29 0.16 4.15 -1.07 2.19 115.11 121.24 2k8f h GLN 14 Ca -0.00 -0.17 -0.17 0.00 0.77 0.00 0.00 58.65 59.07 2k8f h GLN 14 Cb 0.94 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 28.46 2k8f h GLN 14 CO 0.05 0.82 -0.50 0.00 -1.93 0.00 0.00 178.83 177.28 2k8f h ARG 15 N 0.95 0.81 -0.42 1.69 3.08 -1.27 0.93 114.38 120.14 2k8f h ARG 15 Ca 0.23 -0.48 -0.14 0.00 0.07 0.00 0.00 59.98 59.65 2k8f h ARG 15 Cb 0.18 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 2k8f h ARG 15 CO -0.02 1.12 -0.28 0.00 -1.07 0.00 0.00 179.97 179.71 2k8f h ALA 16 N 0.80 0.60 -0.18 0.04 0.00 -0.92 -2.28 119.26 117.32 2k8f h ALA 16 Ca 0.03 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 2k8f h ALA 16 Cb 1.08 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2k8f h ALA 16 CO 0.11 0.64 0.06 0.82 0.00 0.00 0.00 179.25 180.87 2k8f h ILE 17 N 0.77 1.18 -0.92 0.00 1.08 0.39 1.71 117.51 121.72 2k8f h ILE 17 Ca 0.08 -0.57 0.20 0.00 -0.39 0.00 0.00 64.86 64.18 2k8f h ILE 17 Cb 0.87 1.23 -0.07 0.00 -3.07 0.00 0.00 36.82 35.77 2k8f h ILE 17 CO 0.08 0.18 0.60 1.56 -0.69 0.00 0.00 178.15 179.88 2k8f h GLN 18 N 0.11 0.47 0.15 2.37 4.20 0.11 1.65 115.11 124.17 2k8f h GLN 18 Ca 0.06 -0.03 -0.35 0.00 0.06 0.00 0.00 58.65 58.39 2k8f h GLN 18 Cb 0.22 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 2k8f h GLN 18 CO -0.00 0.31 -1.86 1.03 -0.67 0.00 0.00 178.83 177.64 2k8f h SER 19 N 0.48 0.49 0.08 1.46 0.87 -0.81 -2.35 113.55 113.77 2k8f h SER 19 Ca 0.49 -0.94 -0.00 0.00 -1.23 0.00 0.00 61.79 60.11 2k8f h SER 19 Cb 1.11 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.91 2k8f h SER 19 CO -0.21 1.82 -0.04 0.25 -0.53 0.00 0.00 176.83 178.11 2k8f h LEU 20 N 0.04 -0.09 -0.31 2.23 5.85 0.37 2.29 115.31 125.70 2k8f h LEU 20 Ca -0.39 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.15 2k8f h LEU 20 Cb 2.03 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 43.07 2k8f h LEU 20 CO 0.12 0.12 0.14 0.58 -0.34 0.00 0.00 178.44 179.05 2k8f h VAL 21 N -0.30 1.16 0.01 1.05 2.07 0.22 0.45 116.25 120.92 2k8f h VAL 21 Ca -0.01 -0.48 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 2k8f h VAL 21 Cb 0.26 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 2k8f h VAL 21 CO 0.02 0.17 -0.01 -0.74 0.02 0.00 0.00 177.57 177.03 2k8f h HIS 22 N 0.35 -0.02 0.00 1.57 -0.00 -1.29 -1.38 115.15 114.39 2k8f h HIS 22 Ca 0.10 -0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.44 2k8f h HIS 22 Cb 0.14 0.01 -0.00 0.00 -0.00 0.00 0.00 27.41 27.55 2k8f h HIS 22 CO -0.01 0.43 -0.14 0.00 -0.00 0.00 0.00 177.93 178.20 2k8f h ALA 23 N 0.51 1.60 -0.01 5.26 0.00 0.39 2.01 119.26 129.01 2k8f h ALA 23 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2k8f h ALA 23 Cb 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2k8f h ALA 23 CO 0.00 0.18 -0.19 0.00 0.00 0.00 0.00 179.25 179.25 2k8f n ALA 24 N -2.44 2.94 -0.01 0.00 0.00 0.16 -4.01 120.51 117.14 2k8f n ALA 24 Ca -0.02 -0.41 -0.02 0.00 0.00 0.00 0.00 53.44 52.99 2k8f n ALA 24 Cb 0.22 -1.15 -0.02 0.00 0.00 0.00 0.00 19.45 18.50 2k8f n ALA 24 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2k8f n GLN 25 N -0.46 3.19 -3.39 0.00 1.13 -0.52 -4.05 117.38 113.28 2k8f n GLN 25 Ca 0.14 0.00 -0.44 0.00 -1.94 0.00 0.00 57.00 54.76 2k8f n GLN 25 Cb 0.35 -1.07 -0.01 0.00 0.11 0.00 0.00 30.24 29.61 2k8f n GLN 25 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2k8f n ARG 27 N 2.71 2.68 -0.08 0.00 3.00 -1.26 -4.47 116.66 119.24 2k8f n ARG 27 Ca 0.23 -1.97 -0.14 0.00 -0.00 0.00 0.00 57.85 55.97 2k8f n ARG 27 Cb 0.39 -2.23 -0.05 0.00 0.00 0.00 0.00 32.46 30.57 2k8f n ARG 27 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.63 176.66 2k8f h ASN 28 N 3.43 0.71 0.00 6.15 -0.73 -1.91 -3.48 115.58 119.76 2k8f h ASN 28 Ca 0.41 -0.50 0.00 0.00 1.87 0.00 0.00 56.30 58.08 2k8f h ASN 28 Cb 0.91 -0.20 0.00 0.00 0.27 0.00 0.00 38.32 39.30 2k8f h ASN 28 CO 0.82 1.07 0.00 0.00 -0.37 0.00 0.00 177.43 178.95 2k8f n ALA 29 N -2.50 0.00 -0.02 1.57 0.00 -1.26 -4.72 120.51 113.58 2k8f n ALA 29 Ca -0.05 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.47 2k8f n ALA 29 Cb 0.49 0.00 0.27 0.00 0.00 0.00 0.00 19.45 20.21 2k8f n ALA 29 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2k8f n ASN 30 N 1.50 3.57 -2.74 0.00 3.02 -1.26 -4.97 115.26 114.38 2k8f n ASN 30 Ca 0.00 -2.25 -0.34 0.00 -0.03 0.00 0.00 54.58 51.95 2k8f n ASN 30 Cb 0.00 -0.47 -0.04 0.00 -0.61 0.00 0.00 39.78 38.66 2k8f n ASN 30 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k8f n SER 32 N 1.00 1.83 -4.35 0.00 3.41 -1.26 -4.72 113.62 109.53 2k8f n SER 32 Ca 0.12 -1.93 -0.44 0.00 -0.26 0.00 0.00 58.87 56.36 2k8f n SER 32 Cb 0.08 -0.21 -0.08 0.00 -0.26 0.00 0.00 64.21 63.74 2k8f n SER 32 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2k8f s LEU 33 N -1.13 5.66 0.49 1.04 1.43 -1.26 -4.93 118.68 119.98 2k8f s LEU 33 Ca 0.26 -1.46 0.35 0.00 -1.03 0.00 0.00 54.13 52.24 2k8f s LEU 33 Cb 0.13 -2.15 1.48 0.00 0.03 0.00 0.00 46.19 45.68 2k8f s LEU 33 CO 0.18 -0.67 1.71 -0.65 0.23 0.00 0.00 176.35 177.15 2k8f h PRO 34 N 8.72 0.09 -0.38 1.29 0.11 -2.00 1.63 132.00 141.46 2k8f h PRO 34 Ca -0.28 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.78 2k8f h PRO 34 Cb 1.10 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 2k8f h PRO 34 CO 0.89 0.06 0.03 0.77 -0.21 0.00 0.00 178.00 179.53 2k8f h SER 35 N 0.09 0.54 0.22 -2.05 0.02 -1.97 -1.89 113.55 108.52 2k8f h SER 35 Ca 0.71 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.55 2k8f h SER 35 Cb 2.51 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 64.91 2k8f h SER 35 CO -0.16 0.60 -0.10 0.00 -1.14 0.00 0.00 176.83 176.02 2k8f h GLN 37 N -0.79 0.73 -0.02 0.00 4.20 -1.41 1.23 115.11 119.05 2k8f h GLN 37 Ca -0.03 -0.04 -0.17 0.00 0.06 0.00 0.00 58.65 58.46 2k8f h GLN 37 Cb 0.51 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 2k8f h GLN 37 CO 0.05 0.48 -0.77 -0.22 -0.67 0.00 0.00 178.83 177.70 2k8f h LYS 38 N 0.75 0.17 -0.03 1.46 3.11 -1.34 -1.15 116.57 119.54 2k8f h LYS 38 Ca 0.51 -0.16 -0.20 0.00 -2.81 0.00 0.00 60.65 57.99 2k8f h LYS 38 Cb 0.79 0.04 -0.00 0.00 -1.00 0.00 0.00 32.23 32.06 2k8f h LYS 38 CO -0.28 0.86 -0.83 0.52 -2.81 0.00 0.00 179.45 176.91 2k8f h MET 39 N 0.11 0.36 -0.57 1.90 2.86 0.15 -1.73 114.93 118.01 2k8f h MET 39 Ca -0.03 -0.34 -0.06 0.00 -2.06 0.00 0.00 59.70 57.21 2k8f h MET 39 Cb 1.35 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 33.08 2k8f h MET 39 CO 0.11 1.01 0.12 0.87 1.06 0.00 0.00 176.91 180.09 2k8f h LYS 40 N 0.22 0.92 -0.98 1.72 1.57 0.14 0.84 116.57 121.00 2k8f h LYS 40 Ca -0.05 -0.23 0.16 0.00 -1.87 0.00 0.00 60.65 58.67 2k8f h LYS 40 Cb 1.44 -0.12 -0.10 0.00 0.08 0.00 0.00 32.23 33.53 2k8f h LYS 40 CO 0.14 0.86 0.59 -0.09 -0.57 0.00 0.00 179.45 180.38 2k8f h ARG 41 N 0.82 0.79 -0.04 3.15 2.43 -0.97 3.00 114.38 123.55 2k8f h ARG 41 Ca 0.18 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.27 2k8f h ARG 41 Cb 0.37 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 2k8f h ARG 41 CO 0.00 0.52 -0.09 0.28 -1.51 0.00 0.00 179.97 179.17 2k8f h VAL 42 N 0.81 1.45 0.07 0.20 2.07 -0.16 -1.31 116.25 119.38 2k8f h VAL 42 Ca 0.54 -1.46 -0.00 0.00 0.82 0.00 0.00 66.70 66.59 2k8f h VAL 42 Cb 0.74 2.33 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 2k8f h VAL 42 CO -0.35 0.40 -0.04 0.58 0.02 0.00 0.00 177.57 178.18 2k8f h VAL 43 N -0.41 1.20 -0.87 2.57 2.07 0.19 0.73 116.25 121.73 2k8f h VAL 43 Ca -0.00 -1.11 0.17 0.00 0.82 0.00 0.00 66.70 66.58 2k8f h VAL 43 Cb 0.69 1.90 -0.07 0.00 -1.52 0.00 0.00 31.29 32.30 2k8f h VAL 43 CO 0.02 0.27 0.57 1.56 0.02 0.00 0.00 177.57 180.01 2k8f h GLN 44 N -0.62 0.49 0.20 1.57 1.08 0.52 0.98 115.11 119.33 2k8f h GLN 44 Ca -0.01 -0.03 -0.32 0.00 -1.45 0.00 0.00 58.65 56.84 2k8f h GLN 44 Cb 0.51 -0.11 0.03 0.00 -0.05 0.00 0.00 27.48 27.87 2k8f h GLN 44 CO 0.02 0.33 -1.38 1.25 -0.95 0.00 0.00 178.83 178.09 2k8f h HIS 45 N 0.51 0.96 -0.61 2.96 -0.00 -1.06 -2.98 115.15 114.93 2k8f h HIS 45 Ca 0.44 -0.67 0.13 0.00 -0.00 0.00 0.00 60.37 60.27 2k8f h HIS 45 Cb 0.95 -0.05 -0.10 0.00 -0.00 0.00 0.00 27.41 28.20 2k8f h HIS 45 CO -0.00 1.51 0.03 1.15 -0.00 0.00 0.00 177.93 180.62 2k8f h THR 46 N 0.19 0.52 -0.03 6.26 2.02 0.30 -0.88 112.91 121.29 2k8f h THR 46 Ca -0.22 -0.05 -0.22 0.00 0.77 0.00 0.00 66.41 66.68 2k8f h THR 46 Cb 2.07 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 68.85 2k8f h THR 46 CO 0.26 0.03 -0.90 0.11 0.37 0.00 0.00 175.52 175.38 2k8f h LYS 47 N 0.14 0.49 -0.70 6.66 1.57 -1.50 -3.11 116.57 120.12 2k8f h LYS 47 Ca 0.32 -0.49 0.20 0.00 -1.87 0.00 0.00 60.65 58.82 2k8f h LYS 47 Cb 0.52 0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.93 2k8f h LYS 47 CO -0.51 1.13 0.78 0.78 -0.57 0.00 0.00 179.45 181.06 2k8f h GLY 48 N 1.06 0.00 -5.91 3.86 0.00 -1.00 -3.35 103.07 97.73 2k8f h GLY 48 Ca -0.07 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.60 2k8f h GLY 48 CO 0.16 0.00 -0.74 0.00 0.00 0.00 0.00 176.54 175.96 2k8f h LYS 50 N 7.03 0.11 -0.31 0.00 1.79 -1.83 -2.64 116.57 120.73 2k8f h LYS 50 Ca -0.30 -0.19 -0.14 0.00 -2.18 0.00 0.00 60.65 57.83 2k8f h LYS 50 Cb 1.20 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.91 2k8f h LYS 50 CO 0.58 1.04 -0.38 -0.09 -1.08 0.00 0.00 179.45 179.52 2k8f h ARG 51 N 0.03 0.73 -0.45 3.15 1.12 -1.94 -3.01 114.38 114.00 2k8f h ARG 51 Ca -0.10 -0.37 -0.14 0.00 -1.11 0.00 0.00 59.98 58.27 2k8f h ARG 51 Cb 1.88 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 31.83 2k8f h ARG 51 CO 0.15 0.98 -0.27 -0.22 -3.11 0.00 0.00 179.97 177.51 2k8f h LYS 52 N 0.60 0.98 0.00 0.20 3.64 -1.85 -2.22 116.57 117.91 2k8f h LYS 52 Ca 0.05 -0.44 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 2k8f h LYS 52 Cb 0.92 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 2k8f h LYS 52 CO 0.08 1.11 0.00 1.15 -2.27 0.00 0.00 179.45 179.53 2k8f h THR 53 N 0.83 0.00 -0.02 1.00 2.02 -1.34 0.16 112.91 115.56 2k8f h THR 53 Ca 0.10 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.13 2k8f h THR 53 Cb 0.85 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 2k8f h THR 53 CO 0.08 0.00 0.00 0.59 0.37 0.00 0.00 175.52 176.56 2k8f n ASN 54 N -2.82 0.85 0.00 4.18 3.02 -1.01 -4.84 115.26 114.64 2k8f n ASN 54 Ca -0.01 -1.32 0.00 0.00 -0.03 0.00 0.00 54.58 53.22 2k8f n ASN 54 Cb 0.13 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 2k8f n ASN 54 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k8f n GLY 55 N 1.08 0.57 0.26 7.41 0.00 0.57 -4.98 105.19 110.11 2k8f n GLY 55 Ca 0.20 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.25 2k8f n GLY 55 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2k8f h GLY 56 N 0.00 0.65 -4.48 -0.02 0.00 -1.28 -3.31 103.07 94.63 2k8f h GLY 56 Ca 0.00 0.16 -0.54 0.00 0.00 0.00 0.00 47.33 46.95 2k8f h GLY 56 CO 0.00 -0.26 0.13 0.00 0.00 0.00 0.00 176.54 176.41 2k8f h PRO 58 N 5.21 0.00 -0.31 0.00 0.11 -1.96 0.91 132.00 135.96 2k8f h PRO 58 Ca -0.45 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.61 2k8f h PRO 58 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2k8f h PRO 58 CO 0.69 0.00 0.01 0.82 -0.21 0.00 0.00 178.00 179.31 2k8f h ILE 59 N 0.00 1.25 -0.01 4.15 2.04 -1.91 0.31 117.51 123.34 2k8f h ILE 59 Ca 0.37 -0.93 -0.24 0.00 1.00 0.00 0.00 64.86 65.05 2k8f h ILE 59 Cb 1.70 1.25 0.02 0.00 -0.74 0.00 0.00 36.82 39.05 2k8f h ILE 59 CO -0.00 0.30 -0.94 0.00 0.00 0.00 0.00 178.15 177.51 2k8f h LYS 61 N 0.31 0.03 -0.30 0.00 3.64 0.16 0.83 116.57 121.24 2k8f h LYS 61 Ca -0.12 -0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.15 2k8f h LYS 61 Cb 1.61 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.41 2k8f h LYS 61 CO 0.19 0.02 -0.26 1.96 -2.27 0.00 0.00 179.45 179.08 2k8f h GLN 62 N 0.03 0.71 -0.72 1.90 4.20 -0.41 -2.53 115.11 118.29 2k8f h GLN 62 Ca 0.07 -0.36 -0.07 0.00 0.06 0.00 0.00 58.65 58.35 2k8f h GLN 62 Cb 0.10 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 2k8f h GLN 62 CO -0.14 0.98 0.18 1.25 -0.67 0.00 0.00 178.83 180.42 2k8f h LEU 63 N 0.47 1.09 -0.70 1.46 5.85 -0.06 0.16 115.31 123.58 2k8f h LEU 63 Ca 0.05 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 2k8f h LEU 63 Cb 0.82 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 2k8f h LEU 63 CO 0.07 1.04 0.41 0.40 -0.34 0.00 0.00 178.44 180.02 2k8f h ILE 64 N 1.09 1.21 -0.33 4.05 2.04 0.71 1.10 117.51 127.36 2k8f h ILE 64 Ca 0.23 -0.47 -0.05 0.00 1.00 0.00 0.00 64.86 65.56 2k8f h ILE 64 Cb 0.37 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 2k8f h ILE 64 CO 0.00 0.22 0.00 0.00 0.00 0.00 0.00 178.15 178.37 2k8f h ALA 65 N 1.21 0.45 -0.90 1.87 0.00 -1.02 0.87 119.26 121.75 2k8f h ALA 65 Ca 0.25 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2k8f h ALA 65 Cb -0.01 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 2k8f h ALA 65 CO -0.05 0.20 0.57 1.25 0.00 0.00 0.00 179.25 181.23 2k8f h LEU 66 N 0.39 1.06 -1.11 0.00 5.85 -0.14 0.12 115.31 121.48 2k8f h LEU 66 Ca 0.09 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 2k8f h LEU 66 Cb 0.44 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 2k8f h LEU 66 CO 0.02 0.79 -0.05 0.00 -0.34 0.00 0.00 178.44 178.86 2k8f h ALA 67 N 1.31 1.27 -0.20 1.25 0.00 0.17 -2.08 119.26 120.98 2k8f h ALA 67 Ca 0.33 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2k8f h ALA 67 Cb -0.09 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2k8f h ALA 67 CO -0.07 0.49 0.13 0.00 0.00 0.00 0.00 179.25 179.80 2k8f h ALA 68 N 1.42 0.26 -0.41 0.00 0.00 0.33 0.98 119.26 121.84 2k8f h ALA 68 Ca 0.11 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2k8f h ALA 68 Cb 0.42 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2k8f h ALA 68 CO 0.02 -0.25 0.22 1.88 0.00 0.00 0.00 179.25 181.12 2k8f h TYR 69 N 0.27 0.56 -0.01 0.00 0.05 -0.92 -0.64 116.97 116.28 2k8f h TYR 69 Ca 0.07 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.84 2k8f h TYR 69 Cb -0.01 -0.18 -0.00 0.00 1.01 0.00 0.00 36.73 37.55 2k8f h TYR 69 CO -0.06 0.43 -0.01 1.25 -1.05 0.00 0.00 178.16 178.73 2k8f h HIS 70 N 0.53 0.02 -0.02 4.88 2.76 -1.10 -1.88 115.15 120.35 2k8f h HIS 70 Ca 0.14 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.31 2k8f h HIS 70 Cb 0.06 -0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.01 2k8f h HIS 70 CO -0.02 0.51 0.02 0.00 -1.30 0.00 0.00 177.93 177.14 2k8f h ALA 71 N 0.51 1.50 0.07 5.26 0.00 0.10 0.31 119.26 127.01 2k8f h ALA 71 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k8f h ALA 71 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2k8f h ALA 71 CO 0.00 -0.03 -0.04 0.87 0.00 0.00 0.00 179.25 180.06 2k8f h LYS 72 N 0.00 -0.10 -0.92 0.00 1.57 -1.00 -3.32 116.57 112.81 2k8f h LYS 72 Ca 0.01 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.83 2k8f h LYS 72 Cb 0.05 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.33 2k8f h LYS 72 CO -0.00 0.31 0.59 1.25 -0.57 0.00 0.00 179.45 181.03 2k8f h HIS 73 N -0.97 1.11 -2.64 -1.35 2.76 -0.91 -3.34 115.15 109.80 2k8f h HIS 73 Ca -0.01 0.03 -0.54 0.00 -2.20 0.00 0.00 60.37 57.65 2k8f h HIS 73 Cb 0.45 -0.37 -0.06 0.00 1.55 0.00 0.00 27.41 28.98 2k8f h HIS 73 CO 0.10 0.62 1.13 0.00 -1.30 0.00 0.00 177.93 178.49 2k8f n GLN 75 N 8.82 0.67 -4.39 0.00 -0.06 -1.26 -4.75 117.38 116.42 2k8f n GLN 75 Ca 0.12 -0.01 -0.34 0.00 -2.00 0.00 0.00 57.00 54.77 2k8f n GLN 75 Cb 0.49 -1.50 -0.10 0.00 -4.06 0.00 0.00 30.24 25.08 2k8f n GLN 75 CO 0.00 0.00 0.00 -2.00 -0.20 0.00 0.00 177.06 174.86 2k8f s GLU 76 N -2.34 2.92 -1.13 3.69 2.12 -1.26 -5.03 118.70 117.67 2k8f s GLU 76 Ca 0.37 -0.46 -0.21 0.00 0.36 0.00 0.00 54.97 55.02 2k8f s GLU 76 Cb 0.21 -2.74 0.06 0.00 0.26 0.00 0.00 34.13 31.91 2k8f s GLU 76 CO 0.42 0.68 1.57 1.21 -0.54 0.00 0.00 175.26 178.61 2k8f s ASN 77 N -1.00 6.61 0.03 -1.70 2.47 -1.26 -4.87 114.94 115.22 2k8f s ASN 77 Ca 0.14 -1.82 -0.06 0.00 0.42 0.00 0.00 52.86 51.54 2k8f s ASN 77 Cb -0.11 -2.57 -0.01 0.00 -1.45 0.00 0.00 41.25 37.10 2k8f s ASN 77 CO 0.04 -1.40 0.73 0.29 -3.72 0.00 0.00 177.10 173.03 2k8f n LYS 78 N 8.70 -0.08 0.00 0.43 4.76 -1.26 -4.89 118.16 125.81 2k8f n LYS 78 Ca 0.39 0.72 0.00 0.00 -2.87 0.00 0.00 58.31 56.56 2k8f n LYS 78 Cb 0.49 -1.08 0.00 0.00 -1.84 0.00 0.00 35.03 32.60 2k8f n LYS 78 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2k8f h PRO 80 N 0.00 0.15 -6.16 0.00 0.13 -1.90 -3.42 132.00 120.80 2k8f h PRO 80 Ca 0.00 -0.05 -0.58 0.00 -0.87 0.00 0.00 66.00 64.50 2k8f h PRO 80 Cb 0.00 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.10 2k8f h PRO 80 CO 0.00 0.42 1.35 0.08 -0.23 0.00 0.00 178.00 179.63 2k8f s VAL 81 N -4.41 3.27 0.14 1.56 1.01 -1.26 -4.90 120.40 115.82 2k8f s VAL 81 Ca -0.04 0.28 -0.20 0.00 0.00 0.00 0.00 61.98 62.02 2k8f s VAL 81 Cb 0.15 -3.34 0.01 0.00 0.00 0.00 0.00 36.38 33.20 2k8f s VAL 81 CO 0.74 -0.20 1.67 -0.65 0.00 0.00 0.00 175.10 176.66 2k8f h PRO 82 N 13.45 -0.09 -0.35 2.72 0.11 -1.92 -3.01 132.00 142.91 2k8f h PRO 82 Ca -0.38 0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.74 2k8f h PRO 82 Cb 1.20 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 2k8f h PRO 82 CO 0.99 -0.06 0.22 0.74 -0.21 0.00 0.00 178.00 179.68 2k8f h PHE 83 N -0.10 0.42 -0.75 0.65 0.04 -1.96 -1.88 116.94 113.36 2k8f h PHE 83 Ca 0.12 0.01 0.13 0.00 2.80 0.00 0.00 57.97 61.04 2k8f h PHE 83 Cb 0.28 -0.14 -0.09 0.00 2.20 0.00 0.00 35.95 38.20 2k8f h PHE 83 CO -0.29 0.26 0.33 0.00 -0.60 0.00 0.00 178.31 178.01 2k8f h LEU 85 N 0.49 1.09 -1.31 0.00 3.38 -1.35 1.39 115.31 119.01 2k8f h LEU 85 Ca 0.41 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 58.16 2k8f h LEU 85 Cb 0.58 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2k8f h LEU 85 CO -0.37 0.95 -0.32 0.78 0.09 0.00 0.00 178.44 179.57 2k8f h ASN 86 N 1.17 0.00 0.00 -0.43 2.35 0.39 0.13 115.58 119.19 2k8f h ASN 86 Ca 0.27 0.00 -0.43 0.00 -0.55 0.00 0.00 56.30 55.59 2k8f h ASN 86 Cb 0.18 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.48 2k8f h ASN 86 CO -0.03 0.32 -2.50 -0.38 -1.65 0.00 0.00 177.43 173.19 2k8f n ILE 87 N -3.82 1.52 0.08 2.81 5.41 0.89 -4.01 119.36 122.23 2k8f n ILE 87 Ca -0.01 -0.46 -0.20 0.00 1.00 0.00 0.00 62.75 63.08 2k8f n ILE 87 Cb 0.40 -1.69 -0.15 0.00 -0.71 0.00 0.00 39.64 37.49 2k8f n ILE 87 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 2k8f h LYS 88 N -0.58 0.33 0.06 0.38 1.79 0.18 -3.35 116.57 115.38 2k8f h LYS 88 Ca -0.65 -0.57 -0.24 0.00 -2.18 0.00 0.00 60.65 57.02 2k8f h LYS 88 Cb 1.74 0.21 -0.00 0.00 -1.58 0.00 0.00 32.23 32.59 2k8f h LYS 88 CO -0.28 1.22 -1.07 0.37 -1.08 0.00 0.00 179.45 178.61 2k8f h GLN 89 N 0.09 0.24 -0.02 3.15 4.15 -0.97 -3.49 115.11 118.25 2k8f h GLN 89 Ca -0.28 -0.34 0.00 0.00 0.77 0.00 0.00 58.65 58.80 2k8f h GLN 89 Cb 2.06 0.12 0.00 0.00 0.21 0.00 0.00 27.48 29.87 2k8f h GLN 89 CO 0.18 1.11 0.00 1.63 -1.93 0.00 0.00 178.83 179.82