#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 -0.46 0.00 1.35 -2.09 -3.45 112.91 109.49 2k8f h THR 2 Ca 0.00 -1.08 -0.33 0.00 -0.55 0.00 0.00 66.41 64.44 2k8f h THR 2 Cb 0.00 1.35 0.04 0.00 -1.73 0.00 0.00 68.15 67.81 2k8f h THR 2 CO 0.00 0.33 -0.13 0.00 -0.25 0.00 0.00 175.52 175.47 2k8f n GLN 3 N -4.17 0.00 -3.00 4.72 6.02 -1.26 -4.95 117.38 114.74 2k8f n GLN 3 Ca -0.01 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 56.93 2k8f n GLN 3 Cb 0.35 -0.56 0.02 0.00 1.02 0.00 0.00 30.24 31.07 2k8f n GLN 3 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2k8f n SER 4 N 0.83 -1.59 -0.12 1.08 3.41 -1.26 -4.96 113.62 111.01 2k8f n SER 4 Ca 0.09 -2.07 0.13 0.00 -0.26 0.00 0.00 58.87 56.75 2k8f n SER 4 Cb 0.08 2.65 0.49 0.00 -0.26 0.00 0.00 64.21 67.17 2k8f n SER 4 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2k8f h PRO 5 N 0.00 0.43 -0.39 4.33 0.11 -1.97 1.10 132.00 135.62 2k8f h PRO 5 Ca -0.23 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.88 2k8f h PRO 5 Cb 0.88 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.87 2k8f h PRO 5 CO 0.30 0.29 0.26 0.78 -0.21 0.00 0.00 178.00 179.41 2k8f h GLY 6 N 0.45 0.47 1.78 -0.55 0.00 -1.96 1.28 103.07 104.54 2k8f h GLY 6 Ca 0.32 -0.17 -0.16 0.00 0.00 0.00 0.00 47.33 47.32 2k8f h GLY 6 CO -0.10 0.15 -0.87 -1.80 0.00 0.00 0.00 176.54 173.92 2k8f h ASP 7 N 0.42 0.00 0.21 0.19 3.58 0.68 -2.37 116.42 119.14 2k8f h ASP 7 Ca 0.16 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.43 2k8f h ASP 7 Cb 0.10 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.15 2k8f h ASP 7 CO -0.04 0.70 -0.67 -1.28 -2.88 0.00 0.00 179.24 175.07 2k8f h SER 8 N 0.00 0.49 -0.08 2.28 0.87 0.29 0.32 113.55 117.72 2k8f h SER 8 Ca -0.05 -0.30 -0.15 0.00 -1.23 0.00 0.00 61.79 60.07 2k8f h SER 8 Cb 1.58 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 63.39 2k8f h SER 8 CO 0.08 1.02 -0.44 0.03 -0.53 0.00 0.00 176.83 176.99 2k8f h ARG 9 N 0.30 0.62 -0.16 2.24 3.08 0.14 1.17 114.38 121.78 2k8f h ARG 9 Ca -0.02 -0.34 -0.16 0.00 0.07 0.00 0.00 59.98 59.54 2k8f h ARG 9 Cb 1.23 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.29 2k8f h ARG 9 CO 0.12 0.94 -0.56 0.00 -1.07 0.00 0.00 179.97 179.40 2k8f h ARG 10 N 0.50 0.48 0.00 0.04 2.47 -1.19 -2.11 114.38 114.58 2k8f h ARG 10 Ca 0.03 -0.31 -0.13 0.00 -1.26 0.00 0.00 59.98 58.32 2k8f h ARG 10 Cb 0.97 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 29.31 2k8f h ARG 10 CO 0.09 0.91 -0.63 -0.07 0.56 0.00 0.00 179.97 180.83 2k8f h LEU 11 N 0.37 0.00 -0.19 3.04 3.38 -0.02 -2.14 115.31 119.74 2k8f h LEU 11 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2k8f h LEU 11 Cb 1.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 2k8f h LEU 11 CO 0.10 0.63 0.06 -1.28 0.09 0.00 0.00 178.44 178.04 2k8f h SER 12 N 0.00 0.27 0.67 -0.43 0.87 0.18 -2.13 113.55 112.98 2k8f h SER 12 Ca -0.01 -0.19 -0.11 0.00 -1.23 0.00 0.00 61.79 60.25 2k8f h SER 12 Cb 1.34 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 63.22 2k8f h SER 12 CO 0.08 0.39 -0.53 0.16 -0.53 0.00 0.00 176.83 176.41 2k8f h ILE 13 N 0.13 1.26 -0.65 2.23 3.07 -1.39 -2.31 117.51 119.86 2k8f h ILE 13 Ca 0.06 -1.88 0.01 0.00 1.55 0.00 0.00 64.86 64.59 2k8f h ILE 13 Cb 0.22 2.05 -0.03 0.00 -0.27 0.00 0.00 36.82 38.78 2k8f h ILE 13 CO -0.00 0.52 0.43 -0.61 -1.05 0.00 0.00 178.15 177.44 2k8f h GLN 14 N 0.00 0.85 -0.30 0.16 4.15 -1.04 2.61 115.11 121.55 2k8f h GLN 14 Ca -0.01 -0.05 -0.17 0.00 0.77 0.00 0.00 58.65 59.19 2k8f h GLN 14 Cb 1.01 -0.19 -0.00 0.00 0.21 0.00 0.00 27.48 28.50 2k8f h GLN 14 CO 0.07 0.56 -0.50 0.00 -1.93 0.00 0.00 178.83 177.03 2k8f h ARG 15 N 0.88 0.83 -0.46 1.69 3.08 -1.31 0.81 114.38 119.90 2k8f h ARG 15 Ca 0.24 -0.49 -0.13 0.00 0.07 0.00 0.00 59.98 59.66 2k8f h ARG 15 Cb -0.10 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 2k8f h ARG 15 CO -0.05 1.13 -0.23 0.00 -1.07 0.00 0.00 179.97 179.74 2k8f h ALA 16 N 0.78 0.72 -0.19 0.04 0.00 -0.81 -2.29 119.26 117.51 2k8f h ALA 16 Ca 0.03 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 2k8f h ALA 16 Cb 1.09 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2k8f h ALA 16 CO 0.11 0.67 0.05 0.82 0.00 0.00 0.00 179.25 180.89 2k8f h ILE 17 N 0.81 1.21 -0.91 0.00 1.08 0.48 1.70 117.51 121.88 2k8f h ILE 17 Ca 0.10 -0.66 0.19 0.00 -0.39 0.00 0.00 64.86 64.11 2k8f h ILE 17 Cb 0.80 1.27 -0.07 0.00 -3.07 0.00 0.00 36.82 35.75 2k8f h ILE 17 CO 0.07 0.20 0.59 1.56 -0.69 0.00 0.00 178.15 179.89 2k8f h GLN 18 N 0.13 0.47 0.15 2.37 4.20 0.89 1.74 115.11 125.06 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 0.27 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.94 2k8f h GLN 18 CO 0.00 0.31 -1.83 1.03 -0.67 0.00 0.00 178.83 177.67 2k8f h SER 19 N 0.49 0.50 0.00 1.46 0.87 -0.84 -2.24 113.55 113.78 2k8f h SER 19 Ca 0.48 -0.93 -0.00 0.00 -1.23 0.00 0.00 61.79 60.10 2k8f h SER 19 Cb 1.07 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.87 2k8f h SER 19 CO -0.20 1.81 -0.00 0.25 -0.53 0.00 0.00 176.83 178.15 2k8f h LEU 20 N 0.04 -0.00 -1.04 2.23 5.85 0.37 2.57 115.31 125.32 2k8f h LEU 20 Ca -0.38 -0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.09 2k8f h LEU 20 Cb 2.03 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 43.04 2k8f h LEU 20 CO 0.12 0.18 -0.00 0.58 -0.34 0.00 0.00 178.44 178.98 2k8f h VAL 21 N -0.19 1.23 0.03 1.05 2.07 0.24 0.98 116.25 121.66 2k8f h VAL 21 Ca -0.00 -0.92 -0.11 0.00 0.82 0.00 0.00 66.70 66.49 2k8f h VAL 21 Cb 0.19 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 2k8f h VAL 21 CO 0.00 0.32 -0.57 -0.74 0.02 0.00 0.00 177.57 176.60 2k8f h HIS 22 N 0.64 0.12 0.00 1.57 -0.00 -1.12 -3.25 115.15 113.11 2k8f h HIS 22 Ca 0.13 -0.09 -0.05 0.00 -0.00 0.00 0.00 60.37 60.36 2k8f h HIS 22 Cb 0.40 -0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.80 2k8f h HIS 22 CO 0.02 1.22 -0.25 0.00 -0.00 0.00 0.00 177.93 178.92 2k8f h ALA 23 N -0.11 1.11 -0.01 5.26 0.00 0.44 2.43 119.26 128.37 2k8f h ALA 23 Ca -0.14 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2k8f h ALA 23 Cb 1.24 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2k8f h ALA 23 CO -0.02 0.31 -0.27 0.00 0.00 0.00 0.00 179.25 179.27 2k8f n ALA 24 N -2.27 3.10 0.00 0.00 0.00 0.34 -4.14 120.51 117.53 2k8f n ALA 24 Ca -0.01 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.95 2k8f n ALA 24 Cb 0.40 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 -0.29 2.15 -3.39 0.00 6.02 -1.06 -3.94 117.38 116.87 2k8f n GLN 25 Ca 0.12 0.00 -0.44 0.00 -0.01 0.00 0.00 57.00 56.68 2k8f n GLN 25 Cb 0.39 -0.82 -0.01 0.00 1.02 0.00 0.00 30.24 30.81 2k8f n GLN 25 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2k8f n ARG 27 N 2.73 3.18 -0.07 0.00 3.00 -1.26 -4.49 116.66 119.75 2k8f n ARG 27 Ca 0.23 -2.14 -0.14 0.00 -0.00 0.00 0.00 57.85 55.79 2k8f n ARG 27 Cb 0.39 -2.42 -0.06 0.00 0.00 0.00 0.00 32.46 30.37 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 3.99 0.65 0.00 6.15 -0.73 -1.93 -3.47 115.58 120.24 2k8f h ASN 28 Ca 0.56 -0.52 0.00 0.00 1.87 0.00 0.00 56.30 58.21 2k8f h ASN 28 Cb 0.72 -0.19 0.00 0.00 0.27 0.00 0.00 38.32 39.12 2k8f h ASN 28 CO 1.12 1.05 0.00 0.00 -0.37 0.00 0.00 177.43 179.23 2k8f n ALA 29 N -2.50 0.00 0.37 1.57 0.00 -1.26 -4.71 120.51 113.98 2k8f n ALA 29 Ca -0.05 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.47 2k8f n ALA 29 Cb 0.49 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.18 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 1.44 2.78 -3.00 0.00 3.02 -1.26 -4.99 115.26 113.26 2k8f n ASN 30 Ca 0.00 -1.99 -0.42 0.00 -0.03 0.00 0.00 54.58 52.14 2k8f n ASN 30 Cb 0.00 -0.34 -0.06 0.00 -0.61 0.00 0.00 39.78 38.77 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 2.25 1.82 -4.33 0.00 3.41 -1.26 -4.71 113.62 110.80 2k8f n SER 32 Ca 0.18 -2.09 -0.44 0.00 -0.26 0.00 0.00 58.87 56.26 2k8f n SER 32 Cb -0.02 -0.29 -0.07 0.00 -0.26 0.00 0.00 64.21 63.57 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 -1.01 5.72 0.52 1.04 1.43 -1.26 -4.93 118.68 120.20 2k8f s LEU 33 Ca 0.19 -1.55 0.38 0.00 -1.03 0.00 0.00 54.13 52.13 2k8f s LEU 33 Cb 0.11 -2.14 1.55 0.00 0.03 0.00 0.00 46.19 45.74 2k8f s LEU 33 CO 0.11 -0.70 1.72 -0.65 0.23 0.00 0.00 176.35 177.06 2k8f h PRO 34 N 8.71 0.04 -0.32 1.29 0.11 -2.01 1.76 132.00 141.58 2k8f h PRO 34 Ca -0.27 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.77 2k8f h PRO 34 Cb 1.10 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 2k8f h PRO 34 CO 0.91 0.03 -0.06 0.77 -0.21 0.00 0.00 178.00 179.44 2k8f h SER 35 N 0.04 0.49 0.21 -2.05 0.02 -1.96 -2.07 113.55 108.23 2k8f h SER 35 Ca 0.70 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.53 2k8f h SER 35 Cb 2.66 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 65.07 2k8f h SER 35 CO -0.08 0.60 -0.10 0.00 -1.14 0.00 0.00 176.83 176.11 2k8f h GLN 37 N -0.76 0.72 0.00 0.00 4.20 -1.43 1.14 115.11 118.99 2k8f h GLN 37 Ca -0.03 -0.04 -0.18 0.00 0.06 0.00 0.00 58.65 58.45 2k8f h GLN 37 Cb 0.50 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 2k8f h GLN 37 CO 0.05 0.48 -0.85 -0.22 -0.67 0.00 0.00 178.83 177.61 2k8f h LYS 38 N 0.74 0.07 -0.00 1.46 3.11 -1.36 -1.95 116.57 118.64 2k8f h LYS 38 Ca 0.51 -0.08 -0.20 0.00 -2.81 0.00 0.00 60.65 58.07 2k8f h LYS 38 Cb 0.80 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 32.04 2k8f h LYS 38 CO -0.27 0.88 -0.87 0.52 -2.81 0.00 0.00 179.45 176.90 2k8f h MET 39 N 0.04 0.22 -0.49 1.90 2.86 0.18 -1.89 114.93 117.74 2k8f h MET 39 Ca -0.02 -0.23 -0.07 0.00 -2.06 0.00 0.00 59.70 57.32 2k8f h MET 39 Cb 1.49 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 33.19 2k8f h MET 39 CO 0.12 0.95 0.03 0.87 1.06 0.00 0.00 176.91 179.95 2k8f h LYS 40 N 0.12 0.85 -0.97 1.72 1.57 0.12 0.47 116.57 120.45 2k8f h LYS 40 Ca -0.04 -0.25 0.16 0.00 -1.87 0.00 0.00 60.65 58.64 2k8f h LYS 40 Cb 1.49 -0.09 -0.09 0.00 0.08 0.00 0.00 32.23 33.62 2k8f h LYS 40 CO 0.13 0.87 0.61 -0.09 -0.57 0.00 0.00 179.45 180.40 2k8f h ARG 41 N 0.71 0.75 -0.04 3.15 2.43 -1.17 2.76 114.38 122.96 2k8f h ARG 41 Ca 0.14 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 2k8f h ARG 41 Cb 0.47 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 2k8f h ARG 41 CO 0.02 0.49 -0.11 0.28 -1.51 0.00 0.00 179.97 179.15 2k8f h VAL 42 N 0.77 1.44 0.06 0.20 2.07 -0.30 -1.57 116.25 118.92 2k8f h VAL 42 Ca 0.51 -1.47 -0.00 0.00 0.82 0.00 0.00 66.70 66.56 2k8f h VAL 42 Cb 0.78 2.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.86 2k8f h VAL 42 CO -0.28 0.40 -0.03 0.58 0.02 0.00 0.00 177.57 178.26 2k8f h VAL 43 N -0.38 1.26 -0.75 2.57 2.07 0.12 0.67 116.25 121.80 2k8f h VAL 43 Ca -0.00 -1.36 0.16 0.00 0.82 0.00 0.00 66.70 66.32 2k8f h VAL 43 Cb 0.71 2.11 -0.05 0.00 -1.52 0.00 0.00 31.29 32.54 2k8f h VAL 43 CO 0.02 0.33 0.51 1.56 0.02 0.00 0.00 177.57 180.00 2k8f h GLN 44 N -0.72 0.34 0.19 1.57 1.08 0.47 -0.92 115.11 117.12 2k8f h GLN 44 Ca -0.01 -0.02 -0.33 0.00 -1.45 0.00 0.00 58.65 56.84 2k8f h GLN 44 Cb 0.60 -0.08 0.02 0.00 -0.05 0.00 0.00 27.48 27.97 2k8f h GLN 44 CO 0.01 0.23 -1.59 1.25 -0.95 0.00 0.00 178.83 177.78 2k8f h HIS 45 N 0.35 0.74 -0.86 2.96 -0.00 -1.21 -3.06 115.15 114.07 2k8f h HIS 45 Ca 0.37 -0.54 0.18 0.00 -0.00 0.00 0.00 60.37 60.38 2k8f h HIS 45 Cb 0.93 -0.03 -0.11 0.00 -0.00 0.00 0.00 27.41 28.21 2k8f h HIS 45 CO -0.00 1.62 0.40 1.15 -0.00 0.00 0.00 177.93 181.10 2k8f h THR 46 N 0.03 0.61 0.05 6.26 2.02 0.17 0.34 112.91 122.39 2k8f h THR 46 Ca -0.31 -0.17 -0.23 0.00 0.77 0.00 0.00 66.41 66.47 2k8f h THR 46 Cb 2.04 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 68.50 2k8f h THR 46 CO 0.18 0.09 -1.04 0.11 0.37 0.00 0.00 175.52 175.23 2k8f h LYS 47 N 0.50 0.16 -0.88 6.66 1.57 -1.51 -3.21 116.57 119.86 2k8f h LYS 47 Ca 0.50 -0.24 0.25 0.00 -1.87 0.00 0.00 60.65 59.30 2k8f h LYS 47 Cb 0.83 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 33.18 2k8f h LYS 47 CO -0.44 1.06 0.88 0.78 -0.57 0.00 0.00 179.45 181.16 2k8f h GLY 48 N 2.11 0.00 -5.28 3.86 0.00 -0.81 -3.36 103.07 99.58 2k8f h GLY 48 Ca -0.06 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.59 2k8f h GLY 48 CO 0.16 0.00 -0.75 0.00 0.00 0.00 0.00 176.54 175.95 2k8f h LYS 50 N 5.93 0.12 -0.48 0.00 1.79 -1.85 -2.54 116.57 119.55 2k8f h LYS 50 Ca -0.38 -0.21 -0.13 0.00 -2.18 0.00 0.00 60.65 57.75 2k8f h LYS 50 Cb 1.18 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.89 2k8f h LYS 50 CO 0.54 0.92 -0.22 -0.09 -1.08 0.00 0.00 179.45 179.51 2k8f h ARG 51 N 0.03 0.98 -0.18 3.15 1.12 -1.94 -3.05 114.38 114.49 2k8f h ARG 51 Ca -0.20 -0.42 -0.07 0.00 -1.11 0.00 0.00 59.98 58.18 2k8f h ARG 51 Cb 1.96 -0.03 -0.00 0.00 -0.01 0.00 0.00 29.97 31.88 2k8f h ARG 51 CO 0.13 1.09 -0.15 -0.22 -3.11 0.00 0.00 179.97 177.71 2k8f h LYS 52 N 0.85 0.42 -1.03 0.20 3.64 -1.86 -2.60 116.57 116.18 2k8f h LYS 52 Ca 0.11 -0.21 0.26 0.00 -1.27 0.00 0.00 60.65 59.54 2k8f h LYS 52 Cb 0.80 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.52 2k8f h LYS 52 CO 0.07 0.76 0.65 1.15 -2.27 0.00 0.00 179.45 179.81 2k8f h THR 53 N 0.08 0.53 0.00 1.00 2.02 -1.39 1.34 112.91 116.49 2k8f h THR 53 Ca 0.03 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.06 2k8f h THR 53 Cb 0.67 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 2k8f h THR 53 CO 0.04 0.08 0.00 0.59 0.37 0.00 0.00 175.52 176.60 2k8f n ASN 54 N -4.70 0.00 0.00 4.18 3.02 -1.16 -4.72 115.26 111.87 2k8f n ASN 54 Ca 0.26 -0.51 0.00 0.00 -0.03 0.00 0.00 54.58 54.30 2k8f n ASN 54 Cb 0.83 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.00 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 -0.05 0.67 0.39 7.41 0.00 0.45 -4.94 105.19 109.13 2k8f n GLY 55 Ca 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.07 2k8f n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k8f n GLY 56 N -1.57 -2.23 3.87 -0.02 0.00 -0.56 -3.46 105.19 101.22 2k8f n GLY 56 Ca 0.00 1.11 -0.31 0.00 0.00 0.00 0.00 46.02 46.82 2k8f n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k8f h PRO 58 N 1.77 0.00 -0.37 0.00 0.11 -1.96 0.51 132.00 132.05 2k8f h PRO 58 Ca -0.47 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 2k8f h PRO 58 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 2k8f h PRO 58 CO 0.65 0.00 0.05 0.82 -0.21 0.00 0.00 178.00 179.31 2k8f h ILE 59 N 0.00 1.24 0.05 4.15 2.04 -1.92 1.01 117.51 124.07 2k8f h ILE 59 Ca 0.19 -0.88 -0.26 0.00 1.00 0.00 0.00 64.86 64.91 2k8f h ILE 59 Cb 0.76 1.09 0.02 0.00 -0.74 0.00 0.00 36.82 37.95 2k8f h ILE 59 CO -0.00 0.30 -1.04 0.00 0.00 0.00 0.00 178.15 177.41 2k8f h LYS 61 N 0.25 0.19 -0.33 0.00 3.64 -0.01 0.14 116.57 120.44 2k8f h LYS 61 Ca -0.14 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.11 2k8f h LYS 61 Cb 1.71 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.49 2k8f h LYS 61 CO 0.20 0.26 -0.19 0.37 -2.27 0.00 0.00 179.45 177.81 2k8f h GLN 62 N 0.07 0.71 -0.68 1.90 4.15 0.10 -2.51 115.11 118.85 2k8f h GLN 62 Ca 0.04 -0.32 -0.03 0.00 0.77 0.00 0.00 58.65 59.11 2k8f h GLN 62 Cb 0.13 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.78 2k8f h GLN 62 CO -0.00 0.93 0.29 1.25 -1.93 0.00 0.00 178.83 179.37 2k8f h LEU 63 N 0.47 0.91 -0.92 -2.39 5.85 -0.45 0.19 115.31 118.97 2k8f h LEU 63 Ca 0.07 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.65 2k8f h LEU 63 Cb 0.74 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.48 2k8f h LEU 63 CO 0.05 0.82 0.61 0.40 -0.34 0.00 0.00 178.44 179.98 2k8f h ILE 64 N 0.95 1.20 -0.17 4.05 2.04 -0.68 0.78 117.51 125.68 2k8f h ILE 64 Ca 0.23 -0.42 -0.04 0.00 1.00 0.00 0.00 64.86 65.63 2k8f h ILE 64 Cb 0.17 -0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.13 2k8f h ILE 64 CO -0.02 0.22 -0.04 0.00 0.00 0.00 0.00 178.15 178.31 2k8f h ALA 65 N 1.36 0.23 -0.87 1.87 0.00 -0.93 0.31 119.26 121.23 2k8f h ALA 65 Ca 0.35 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 55.04 2k8f h ALA 65 Cb -0.08 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 2k8f h ALA 65 CO -0.09 -0.00 0.57 1.25 0.00 0.00 0.00 179.25 180.97 2k8f h LEU 66 N 0.03 0.97 -1.49 0.00 5.85 -0.13 0.24 115.31 120.77 2k8f h LEU 66 Ca 0.04 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 2k8f h LEU 66 Cb 0.48 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 2k8f h LEU 66 CO 0.02 0.68 0.04 0.00 -0.34 0.00 0.00 178.44 178.84 2k8f h ALA 67 N 1.34 1.59 -0.22 1.25 0.00 0.83 -2.34 119.26 121.71 2k8f h ALA 67 Ca 0.33 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.13 2k8f h ALA 67 Cb -0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2k8f h ALA 67 CO -0.09 0.31 0.10 0.00 0.00 0.00 0.00 179.25 179.56 2k8f h ALA 68 N 1.68 0.26 -0.47 0.00 0.00 0.30 0.92 119.26 121.95 2k8f h ALA 68 Ca 0.09 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2k8f h ALA 68 Cb 0.18 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2k8f h ALA 68 CO -0.00 -0.31 0.25 1.88 0.00 0.00 0.00 179.25 181.07 2k8f h TYR 69 N 0.22 0.66 -0.06 0.00 0.05 -0.93 -1.33 116.97 115.58 2k8f h TYR 69 Ca 0.09 -0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.83 2k8f h TYR 69 Cb 0.04 -0.21 -0.00 0.00 1.01 0.00 0.00 36.73 37.57 2k8f h TYR 69 CO -0.10 0.51 -0.03 1.25 -1.05 0.00 0.00 178.16 178.73 2k8f h HIS 70 N 0.62 0.16 -0.01 4.88 2.76 -1.04 -2.38 115.15 120.13 2k8f h HIS 70 Ca 0.17 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.30 2k8f h HIS 70 Cb 0.08 -0.04 -0.00 0.00 1.55 0.00 0.00 27.41 29.00 2k8f h HIS 70 CO -0.01 0.52 0.03 0.00 -1.30 0.00 0.00 177.93 177.17 2k8f h ALA 71 N 0.61 1.22 0.08 5.26 0.00 0.92 0.84 119.26 128.18 2k8f h ALA 71 Ca 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2k8f h ALA 71 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2k8f h ALA 71 CO 0.01 -0.04 -0.04 0.87 0.00 0.00 0.00 179.25 180.05 2k8f h LYS 72 N 0.00 -0.10 -0.95 0.00 1.57 -1.00 -3.32 116.57 112.76 2k8f h LYS 72 Ca 0.01 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.83 2k8f h LYS 72 Cb 0.07 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.35 2k8f h LYS 72 CO -0.00 0.33 0.62 1.25 -0.57 0.00 0.00 179.45 181.09 2k8f h HIS 73 N -0.96 1.17 -2.63 -1.35 2.76 -0.90 -3.35 115.15 109.89 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 0.48 -0.39 -0.06 0.00 1.55 0.00 0.00 27.41 28.99 2k8f h HIS 73 CO 0.11 0.68 1.13 0.00 -1.30 0.00 0.00 177.93 178.55 2k8f n GLN 75 N 8.84 1.08 -4.57 0.00 -0.06 -1.26 -4.77 117.38 116.64 2k8f n GLN 75 Ca 0.12 -0.11 -0.31 0.00 -2.00 0.00 0.00 57.00 54.70 2k8f n GLN 75 Cb 0.49 -1.48 -0.12 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 -2.00 2.18 -1.05 3.69 2.12 -1.26 -5.05 118.70 117.34 2k8f s GLU 76 Ca 0.45 -0.93 -0.22 0.00 0.36 0.00 0.00 54.97 54.63 2k8f s GLU 76 Cb 0.21 -2.27 0.06 0.00 0.26 0.00 0.00 34.13 32.39 2k8f s GLU 76 CO 0.35 0.55 1.47 -0.80 -0.54 0.00 0.00 175.26 176.29 2k8f s ASN 77 N -1.52 6.54 0.23 -1.70 0.01 -1.26 -4.86 114.94 112.39 2k8f s ASN 77 Ca 0.16 -1.58 -0.17 0.00 -0.71 0.00 0.00 52.86 50.56 2k8f s ASN 77 Cb -0.11 -2.56 0.25 0.00 0.41 0.00 0.00 41.25 39.24 2k8f s ASN 77 CO 0.07 -1.45 1.56 0.11 -1.51 0.00 0.00 177.10 175.87 2k8f h LYS 78 N 9.53 -0.01 0.00 -0.60 1.79 -1.93 -3.46 116.57 121.88 2k8f h LYS 78 Ca 0.22 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.69 2k8f h LYS 78 Cb 1.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.65 2k8f h LYS 78 CO 1.42 -0.01 0.00 0.00 -1.08 0.00 0.00 179.45 179.78 2k8f h PRO 80 N 0.00 0.45 -5.93 0.00 0.13 -1.90 -3.44 132.00 121.32 2k8f h PRO 80 Ca 0.00 -0.67 -0.58 0.00 -0.87 0.00 0.00 66.00 63.89 2k8f h PRO 80 Cb 0.00 0.23 -0.00 0.00 0.13 0.00 0.00 31.00 31.36 2k8f h PRO 80 CO 0.00 1.30 1.51 0.28 -0.23 0.00 0.00 178.00 180.86 2k8f n VAL 81 N -3.98 0.27 -0.01 1.56 0.31 -1.25 -4.87 118.33 110.36 2k8f n VAL 81 Ca -0.14 -0.50 -0.09 0.00 -0.01 0.00 0.00 64.34 63.60 2k8f n VAL 81 Cb 0.89 -2.54 -0.03 0.00 -0.91 0.00 0.00 33.84 31.26 2k8f n VAL 81 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 2k8f h PRO 82 N 15.57 -0.12 -0.53 5.55 0.11 -1.90 -3.04 132.00 147.64 2k8f h PRO 82 Ca -0.38 0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.77 2k8f h PRO 82 Cb 1.25 0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.35 2k8f h PRO 82 CO 0.99 -0.08 0.30 0.74 -0.21 0.00 0.00 178.00 179.75 2k8f h PHE 83 N -0.12 0.56 -0.66 0.65 0.04 -1.98 -1.64 116.94 113.78 2k8f h PHE 83 Ca 0.09 0.02 0.11 0.00 2.80 0.00 0.00 57.97 60.98 2k8f h PHE 83 Cb 0.25 -0.18 -0.08 0.00 2.20 0.00 0.00 35.95 38.14 2k8f h PHE 83 CO -0.23 0.31 0.25 0.00 -0.60 0.00 0.00 178.31 178.03 2k8f h LEU 85 N 0.42 0.92 -1.40 0.00 3.38 -1.40 1.11 115.31 118.34 2k8f h LEU 85 Ca 0.34 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 2k8f h LEU 85 Cb 0.46 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2k8f h LEU 85 CO -0.34 0.91 -0.27 0.78 0.09 0.00 0.00 178.44 179.61 2k8f h ASN 86 N 0.92 0.04 0.00 -0.43 2.35 0.14 0.18 115.58 118.79 2k8f h ASN 86 Ca 0.19 -0.01 -0.37 0.00 -0.55 0.00 0.00 56.30 55.56 2k8f h ASN 86 Cb 0.37 -0.01 -0.05 0.00 0.05 0.00 0.00 38.32 38.68 2k8f h ASN 86 CO 0.01 0.32 -2.01 -0.38 -1.65 0.00 0.00 177.43 173.71 2k8f n ILE 87 N -4.20 1.54 0.13 2.81 5.41 0.46 -3.60 119.36 121.91 2k8f n ILE 87 Ca -0.02 -0.26 -0.24 0.00 1.00 0.00 0.00 62.75 63.23 2k8f n ILE 87 Cb 0.33 -1.92 -0.16 0.00 -0.71 0.00 0.00 39.64 37.18 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 -0.92 0.50 0.00 0.38 1.79 0.12 -3.32 116.57 115.12 2k8f h LYS 88 Ca -0.55 -0.85 -0.03 0.00 -2.18 0.00 0.00 60.65 57.04 2k8f h LYS 88 Cb 1.52 0.32 -0.01 0.00 -1.58 0.00 0.00 32.23 32.48 2k8f h LYS 88 CO -0.31 1.41 -0.52 0.37 -1.08 0.00 0.00 179.45 179.32 2k8f h GLN 89 N 0.05 0.00 0.00 3.15 4.15 -0.76 -3.49 115.11 118.21 2k8f h GLN 89 Ca -0.24 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.18 2k8f h GLN 89 Cb 2.08 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.77 2k8f h GLN 89 CO 0.25 0.11 0.00 1.17 -1.93 0.00 0.00 178.83 178.43