#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cfp n SER 1 N 0.00 0.36 -0.32 3.17 7.64 -1.26 -3.25 113.62 119.96 1cfp n SER 1 Ca 0.00 0.65 -0.11 0.00 1.01 0.00 0.00 58.87 60.42 1cfp n SER 1 Cb 0.00 -0.70 -0.09 0.00 -1.01 0.00 0.00 64.21 62.41 1cfp n SER 1 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1cfp h GLU 2 N 0.00 -0.13 -0.91 1.43 4.39 -2.05 0.22 114.58 117.52 1cfp h GLU 2 Ca 0.00 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 1cfp h GLU 2 Cb 0.06 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.70 1cfp h GLU 2 CO 0.00 -0.09 0.52 1.25 -1.16 0.00 0.00 179.01 179.53 1cfp h LEU 3 N -0.14 1.12 0.02 1.33 7.12 -1.98 -2.15 115.31 120.62 1cfp h LEU 3 Ca 0.14 -0.09 0.03 0.00 0.13 0.00 0.00 57.88 58.09 1cfp h LEU 3 Cb 0.49 -0.28 -0.04 0.00 -0.53 0.00 0.00 40.66 40.30 1cfp h LEU 3 CO -0.82 0.88 -0.21 -0.33 -0.13 0.00 0.00 178.44 177.83 1cfp h GLU 4 N 1.26 -0.33 -0.46 1.25 4.39 -0.85 0.59 114.58 120.44 1cfp h GLU 4 Ca 0.32 0.02 0.13 0.00 0.34 0.00 0.00 59.36 60.18 1cfp h GLU 4 Cb -0.01 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 1cfp h GLU 4 CO -0.06 -0.22 0.35 0.87 -1.16 0.00 0.00 179.01 178.80 1cfp h LYS 5 N -0.34 0.00 -0.51 2.33 1.79 -0.70 0.99 116.57 120.13 1cfp h LYS 5 Ca 0.05 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.43 1cfp h LYS 5 Cb 0.41 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.04 1cfp h LYS 5 CO -0.18 0.00 -0.04 0.00 -1.08 0.00 0.00 179.45 178.16 1cfp h ALA 6 N 1.73 0.70 -0.19 3.86 0.00 0.64 -1.42 119.26 124.58 1cfp h ALA 6 Ca 0.22 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.87 1cfp h ALA 6 Cb 0.92 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 1cfp h ALA 6 CO -0.00 0.54 -0.15 0.28 0.00 0.00 0.00 179.25 179.92 1cfp h VAL 7 N 0.80 0.58 -0.24 0.00 2.07 0.45 1.34 116.25 121.26 1cfp h VAL 7 Ca 0.14 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.73 1cfp h VAL 7 Cb 0.58 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1cfp h VAL 7 CO 0.03 0.00 0.27 0.58 0.02 0.00 0.00 177.57 178.48 1cfp h VAL 8 N -0.15 0.42 0.06 2.57 2.07 -0.86 0.58 116.25 120.93 1cfp h VAL 8 Ca 0.11 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 67.38 1cfp h VAL 8 Cb 0.32 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 1cfp h VAL 8 CO -0.28 0.00 -1.26 0.00 0.02 0.00 0.00 177.57 176.04 1cfp h ALA 9 N 1.68 0.33 -0.81 1.67 0.00 0.23 -3.24 119.26 119.12 1cfp h ALA 9 Ca 0.11 -1.02 0.12 0.00 0.00 0.00 0.00 54.91 54.12 1cfp h ALA 9 Cb 0.65 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 1cfp h ALA 9 CO -0.00 1.20 0.53 -0.07 0.00 0.00 0.00 179.25 180.91 1cfp h LEU 10 N 0.03 0.59 -1.77 0.00 3.38 0.66 1.29 115.31 119.49 1cfp h LEU 10 Ca -0.12 0.02 0.12 0.00 0.09 0.00 0.00 57.88 57.99 1cfp h LEU 10 Cb 1.90 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 42.53 1cfp h LEU 10 CO 0.15 0.32 0.39 0.16 0.09 0.00 0.00 178.44 179.55 1cfp h ILE 11 N 0.64 0.83 0.19 1.22 -0.00 -1.51 0.61 117.51 119.49 1cfp h ILE 11 Ca 0.39 -0.08 -0.26 0.00 -0.00 0.00 0.00 64.86 64.90 1cfp h ILE 11 Cb 0.62 0.56 0.03 0.00 -0.00 0.00 0.00 36.82 38.03 1cfp h ILE 11 CO -0.15 0.05 -1.15 0.44 -0.00 0.00 0.00 178.15 177.33 1cfp h ASP 12 N 0.25 0.64 -0.10 2.16 3.32 0.13 -2.84 116.42 119.97 1cfp h ASP 12 Ca 0.27 -0.94 0.02 0.00 0.02 0.00 0.00 57.03 56.40 1cfp h ASP 12 Cb 0.72 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 1cfp h ASP 12 CO -0.05 1.55 -0.03 0.58 -1.72 0.00 0.00 179.24 179.57 1cfp h VAL 13 N -0.14 0.89 -0.82 -1.35 2.07 0.17 -0.85 116.25 116.23 1cfp h VAL 13 Ca -0.20 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.40 1cfp h VAL 13 Cb 1.89 0.89 -0.07 0.00 -1.52 0.00 0.00 31.29 32.48 1cfp h VAL 13 CO 0.20 0.00 0.48 -0.26 0.02 0.00 0.00 177.57 178.01 1cfp h PHE 14 N -0.01 0.87 -0.87 1.57 0.04 0.03 -0.89 116.94 117.68 1cfp h PHE 14 Ca 0.05 0.03 0.08 0.00 2.80 0.00 0.00 57.97 60.93 1cfp h PHE 14 Cb 0.08 -0.27 -0.11 0.00 2.20 0.00 0.00 35.95 37.85 1cfp h PHE 14 CO -0.15 0.38 -0.58 1.25 -0.60 0.00 0.00 178.31 178.62 1cfp h HIS 15 N 0.82 -1.83 0.00 -0.55 2.76 -0.89 2.40 115.15 117.86 1cfp h HIS 15 Ca 0.38 0.12 0.00 0.00 -2.20 0.00 0.00 60.37 58.67 1cfp h HIS 15 Cb 0.30 0.91 0.00 0.00 1.55 0.00 0.00 27.41 30.18 1cfp h HIS 15 CO -0.06 -0.40 0.00 1.04 -1.30 0.00 0.00 177.93 177.22 1cfp n GLN 16 N -5.29 0.00 -0.25 5.26 6.02 -0.86 0.26 117.38 122.52 1cfp n GLN 16 Ca 0.01 0.40 0.00 0.00 -0.01 0.00 0.00 57.00 57.40 1cfp n GLN 16 Cb 0.28 -1.28 0.04 0.00 1.02 0.00 0.00 30.24 30.30 1cfp n GLN 16 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1cfp n TYR 17 N -1.70 0.06 0.52 1.08 4.01 -0.40 0.28 117.16 121.01 1cfp n TYR 17 Ca 0.00 0.82 0.12 0.00 -0.16 0.00 0.00 57.90 58.68 1cfp n TYR 17 Cb 0.00 -0.77 0.09 0.00 -0.31 0.00 0.00 39.34 38.35 1cfp n TYR 17 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1cfp n SER 18 N -5.00 0.67 -2.91 7.72 7.64 0.81 -4.44 113.62 118.11 1cfp n SER 18 Ca 0.07 0.01 -0.13 0.00 1.01 0.00 0.00 58.87 59.84 1cfp n SER 18 Cb 0.28 0.46 0.01 0.00 -1.01 0.00 0.00 64.21 63.95 1cfp n SER 18 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cfp n GLY 19 N 1.33 2.38 1.01 0.23 0.00 0.72 -2.80 105.19 108.06 1cfp n GLY 19 Ca 0.02 -1.29 0.10 0.00 0.00 0.00 0.00 46.02 44.85 1cfp n GLY 19 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1cfp n ARG 20 N 0.09 2.41 0.00 1.61 1.85 0.81 -4.25 116.66 119.18 1cfp n ARG 20 Ca 0.15 -2.19 0.00 0.00 -1.00 0.00 0.00 57.85 54.81 1cfp n ARG 20 Cb 0.74 -1.44 0.00 0.00 -1.05 0.00 0.00 32.46 30.71 1cfp n ARG 20 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 1cfp n GLU 21 N 1.22 0.00 0.00 2.89 2.13 -1.26 -5.04 120.64 120.58 1cfp n GLU 21 Ca 0.17 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.99 1cfp n GLU 21 Cb 0.54 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.25 1cfp n GLU 21 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1cfp n GLY 22 N -0.12 3.69 6.05 8.31 0.00 -1.26 -5.14 105.19 116.72 1cfp n GLY 22 Ca 0.00 -0.59 0.01 0.00 0.00 0.00 0.00 46.02 45.44 1cfp n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cfp n ASP 23 N 0.00 -1.25 0.00 1.61 8.00 -1.26 -4.23 116.55 119.42 1cfp n ASP 23 Ca 0.00 0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.54 1cfp n ASP 23 Cb 0.00 -0.18 0.00 0.00 -0.02 0.00 0.00 41.12 40.92 1cfp n ASP 23 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1cfp n LYS 24 N -0.51 0.00 -2.72 -1.24 4.76 -1.12 -4.73 118.16 112.60 1cfp n LYS 24 Ca 0.00 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.16 1cfp n LYS 24 Cb 0.02 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.19 1cfp n LYS 24 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1cfp n HIS 25 N 0.00 3.71 -3.63 2.13 8.25 -1.26 -3.39 115.22 121.03 1cfp n HIS 25 Ca 0.00 -3.53 -0.11 0.00 -0.26 0.00 0.00 57.72 53.82 1cfp n HIS 25 Cb 0.00 -0.41 -0.05 0.00 1.12 0.00 0.00 29.99 30.65 1cfp n HIS 25 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1cfp s LYS 26 N -3.58 1.05 0.05 -0.41 2.36 -1.26 -4.23 119.74 113.72 1cfp s LYS 26 Ca 0.48 -0.61 0.08 0.00 -2.55 0.00 0.00 55.97 53.37 1cfp s LYS 26 Cb 0.32 0.46 -0.03 0.00 -1.05 0.00 0.00 37.83 37.54 1cfp s LYS 26 CO -0.17 -0.40 -0.22 -0.51 1.55 0.00 0.00 175.35 175.60 1cfp s LEU 27 N -2.60 2.18 0.28 5.43 1.02 0.27 -4.24 118.68 121.02 1cfp s LEU 27 Ca 0.01 -0.55 0.07 0.00 0.02 0.00 0.00 54.13 53.67 1cfp s LEU 27 Cb 0.01 -1.03 -0.03 0.00 0.02 0.00 0.00 46.19 45.17 1cfp s LEU 27 CO -0.10 0.17 0.28 -0.54 0.02 0.00 0.00 176.35 176.19 1cfp s LYS 28 N -1.26 3.01 0.60 1.70 1.02 -1.26 -0.17 119.74 123.37 1cfp s LYS 28 Ca 0.08 -1.04 0.30 0.00 0.02 0.00 0.00 55.97 55.33 1cfp s LYS 28 Cb -0.09 -2.64 1.18 0.00 -0.52 0.00 0.00 37.83 35.76 1cfp s LYS 28 CO 0.02 0.30 1.51 0.87 -0.92 0.00 0.00 175.35 177.13 1cfp h LYS 29 N 1.30 0.00 0.06 1.68 1.57 -1.91 0.16 116.57 119.44 1cfp h LYS 29 Ca -0.48 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1cfp h LYS 29 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1cfp h LYS 29 CO 0.59 0.00 -0.03 0.77 -0.57 0.00 0.00 179.45 180.21 1cfp h SER 30 N 0.00 -0.07 -0.37 0.86 0.02 -2.00 -2.90 113.55 109.09 1cfp h SER 30 Ca 0.47 -0.36 0.03 0.00 -0.84 0.00 0.00 61.79 61.09 1cfp h SER 30 Cb 2.54 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 65.06 1cfp h SER 30 CO -0.00 0.58 0.18 -0.33 -1.14 0.00 0.00 176.83 176.11 1cfp h GLU 31 N -0.98 0.36 -0.76 3.45 5.08 -1.16 -1.06 114.58 119.50 1cfp h GLU 31 Ca -0.01 -0.02 0.17 0.00 -1.00 0.00 0.00 59.36 58.50 1cfp h GLU 31 Cb 0.43 -0.08 -0.11 0.00 0.50 0.00 0.00 28.75 29.49 1cfp h GLU 31 CO 0.01 0.24 0.20 -0.07 -1.00 0.00 0.00 179.01 178.39 1cfp h LEU 32 N 0.37 0.03 -0.27 1.33 3.38 -0.99 0.14 115.31 119.30 1cfp h LEU 32 Ca 0.16 0.15 0.07 0.00 0.09 0.00 0.00 57.88 58.35 1cfp h LEU 32 Cb 0.08 0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.95 1cfp h LEU 32 CO -0.12 -0.05 -0.24 0.50 0.09 0.00 0.00 178.44 178.62 1cfp h LYS 33 N 0.27 -0.22 -0.29 1.13 3.11 -0.98 -1.40 116.57 118.19 1cfp h LYS 33 Ca 0.44 0.02 0.04 0.00 -2.81 0.00 0.00 60.65 58.33 1cfp h LYS 33 Cb 0.77 0.05 -0.07 0.00 -1.00 0.00 0.00 32.23 31.98 1cfp h LYS 33 CO -0.53 -0.15 -0.51 0.93 -2.81 0.00 0.00 179.45 176.39 1cfp h GLU 34 N -0.23 -0.40 -0.84 1.90 5.08 -0.48 0.56 114.58 120.17 1cfp h GLU 34 Ca 0.15 0.03 0.21 0.00 -1.00 0.00 0.00 59.36 58.74 1cfp h GLU 34 Cb 0.46 0.09 -0.16 0.00 0.50 0.00 0.00 28.75 29.64 1cfp h GLU 34 CO -0.41 -0.27 -0.07 -0.11 -1.00 0.00 0.00 179.01 177.16 1cfp n LEU 35 N -5.14 -0.17 0.06 1.33 0.00 -0.58 0.14 117.00 112.64 1cfp n LEU 35 Ca -0.04 1.44 0.01 0.00 0.00 0.00 0.00 56.01 57.41 1cfp n LEU 35 Cb 0.32 -0.49 -0.05 0.00 0.00 0.00 0.00 43.42 43.20 1cfp n LEU 35 CO 0.03 -1.43 -0.06 0.40 0.00 0.00 0.00 177.39 176.33 1cfp h ILE 36 N 0.00 0.62 0.00 1.96 5.03 -0.52 -3.34 117.51 121.26 1cfp h ILE 36 Ca 0.47 -2.06 0.00 0.00 -0.12 0.00 0.00 64.86 63.15 1cfp h ILE 36 Cb 0.89 2.15 0.00 0.00 -3.03 0.00 0.00 36.82 36.82 1cfp h ILE 36 CO -0.82 0.35 -0.71 -0.46 -0.68 0.00 0.00 178.15 175.83 1cfp n ASN 37 N -2.99 0.64 0.06 1.72 6.94 0.18 -2.09 115.26 119.72 1cfp n ASN 37 Ca -0.06 -0.03 -0.18 0.00 -0.02 0.00 0.00 54.58 54.30 1cfp n ASN 37 Cb 0.81 0.34 -0.09 0.00 -2.36 0.00 0.00 39.78 38.48 1cfp n ASN 37 CO 0.00 0.00 0.00 0.78 -1.03 0.00 0.00 177.26 177.01 1cfp h ASN 38 N 0.00 0.75 0.00 0.53 2.35 0.11 -3.41 115.58 115.91 1cfp h ASN 38 Ca 0.00 -0.62 0.00 0.00 -0.55 0.00 0.00 56.30 55.13 1cfp h ASN 38 Cb 0.70 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.84 1cfp h ASN 38 CO 0.00 1.43 -0.98 1.21 -1.65 0.00 0.00 177.43 177.44 1cfp n GLU 39 N -3.79 0.00 -0.76 0.81 4.07 -1.26 -4.76 120.64 114.95 1cfp n GLU 39 Ca -0.10 0.00 -0.18 0.00 -0.06 0.00 0.00 57.16 56.82 1cfp n GLU 39 Cb 0.89 -0.66 -0.06 0.00 -0.06 0.00 0.00 31.44 31.55 1cfp n GLU 39 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1cfp n LEU 40 N -2.81 4.73 -0.30 4.31 4.77 -0.89 -4.57 117.00 122.24 1cfp n LEU 40 Ca 0.00 -2.78 0.04 0.00 -0.03 0.00 0.00 56.01 53.24 1cfp n LEU 40 Cb 0.49 -1.07 0.19 0.00 -2.33 0.00 0.00 43.42 40.69 1cfp n LEU 40 CO 0.00 0.91 1.13 -1.28 -1.33 0.00 0.00 177.39 176.82 1cfp h SER 41 N 5.23 0.64 -1.06 -1.43 0.87 -1.79 0.09 113.55 116.11 1cfp h SER 41 Ca 0.38 0.06 0.31 0.00 -1.23 0.00 0.00 61.79 61.31 1cfp h SER 41 Cb 0.51 -0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.37 1cfp h SER 41 CO 1.02 0.34 0.93 0.45 -0.53 0.00 0.00 176.83 179.04 1cfp h HIS 42 N 0.75 0.00 0.00 2.24 3.86 -1.92 2.18 115.15 122.26 1cfp h HIS 42 Ca 0.42 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.63 1cfp h HIS 42 Cb 0.45 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.92 1cfp h HIS 42 CO -0.07 0.00 -0.48 0.74 0.86 0.00 0.00 177.93 178.98 1cfp h PHE 43 N 0.00 0.00 -1.02 2.45 0.04 -1.29 -3.18 116.94 113.94 1cfp h PHE 43 Ca 0.50 0.00 0.26 0.00 2.80 0.00 0.00 57.97 61.54 1cfp h PHE 43 Cb 2.36 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 40.43 1cfp h PHE 43 CO 0.00 0.00 0.68 1.25 -0.60 0.00 0.00 178.31 179.64 1cfp h LEU 44 N 0.00 0.35 0.00 1.54 5.85 0.36 0.92 115.31 124.34 1cfp h LEU 44 Ca 0.00 0.06 -0.19 0.00 0.84 0.00 0.00 57.88 58.59 1cfp h LEU 44 Cb 0.84 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 1cfp h LEU 44 CO 0.00 0.08 -1.49 1.21 -0.34 0.00 0.00 178.44 177.90 1cfp n GLU 45 N -4.52 0.62 -1.18 1.25 2.13 -1.23 -4.93 120.64 112.78 1cfp n GLU 45 Ca 0.24 0.23 -0.09 0.00 0.66 0.00 0.00 57.16 58.20 1cfp n GLU 45 Cb 0.90 -1.80 -0.04 0.00 0.27 0.00 0.00 31.44 30.77 1cfp n GLU 45 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1cfp n GLU 46 N -2.91 -1.72 0.10 5.31 4.07 0.32 -4.76 120.64 121.04 1cfp n GLU 46 Ca -0.11 0.74 0.11 0.00 -0.06 0.00 0.00 57.16 57.84 1cfp n GLU 46 Cb 0.88 -5.04 -0.01 0.00 -0.06 0.00 0.00 31.44 27.21 1cfp n GLU 46 CO 0.00 0.00 0.00 1.51 -0.06 0.00 0.00 177.13 178.58 1cfp n ILE 47 N -1.97 0.58 0.25 6.31 0.13 -1.26 -3.76 119.36 119.63 1cfp n ILE 47 Ca -0.09 -0.55 0.03 0.00 -1.10 0.00 0.00 62.75 61.05 1cfp n ILE 47 Cb 0.52 -0.32 0.15 0.00 -0.84 0.00 0.00 39.64 39.15 1cfp n ILE 47 CO 0.00 0.00 0.00 0.29 2.80 0.00 0.00 176.55 179.64 1cfp n LYS 48 N -2.65 0.00 -3.17 9.51 4.01 -1.26 -4.26 118.16 120.35 1cfp n LYS 48 Ca -0.00 0.37 0.02 0.00 -0.51 0.00 0.00 58.31 58.19 1cfp n LYS 48 Cb 0.55 -1.50 -0.01 0.00 -0.51 0.00 0.00 35.03 33.57 1cfp n LYS 48 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 1cfp s GLU 49 N -2.98 0.54 0.00 1.97 -1.05 -1.25 -5.02 118.70 110.92 1cfp s GLU 49 Ca 0.04 0.48 0.00 0.00 -0.15 0.00 0.00 54.97 55.33 1cfp s GLU 49 Cb 0.05 0.17 0.00 0.00 -0.44 0.00 0.00 34.13 33.91 1cfp s GLU 49 CO 0.13 -1.05 0.39 1.04 0.95 0.00 0.00 175.26 176.71 1cfp n GLN 50 N 5.40 0.00 -0.50 -4.83 6.02 -1.26 -1.18 117.38 121.03 1cfp n GLN 50 Ca 0.04 0.32 0.43 0.00 -0.01 0.00 0.00 57.00 57.79 1cfp n GLN 50 Cb 0.53 -1.06 0.77 0.00 1.02 0.00 0.00 30.24 31.50 1cfp n GLN 50 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1cfp h GLU 51 N 0.00 0.00 0.08 -1.09 4.81 -1.98 1.16 114.58 117.57 1cfp h GLU 51 Ca 0.00 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.95 1cfp h GLU 51 Cb 0.00 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.41 1cfp h GLU 51 CO 0.00 0.00 -1.16 0.28 -0.73 0.00 0.00 179.01 177.40 1cfp h VAL 52 N 0.00 1.29 -1.15 0.32 2.07 -1.96 -2.56 116.25 114.27 1cfp h VAL 52 Ca 0.74 -2.39 0.32 0.00 0.82 0.00 0.00 66.70 66.19 1cfp h VAL 52 Cb 3.03 2.62 -0.09 0.00 -1.52 0.00 0.00 31.29 35.33 1cfp h VAL 52 CO -0.01 0.73 0.76 0.58 0.02 0.00 0.00 177.57 179.65 1cfp h VAL 53 N 0.28 0.40 -0.20 2.57 2.07 0.29 2.41 116.25 124.08 1cfp h VAL 53 Ca -0.17 -0.08 -0.10 0.00 0.82 0.00 0.00 66.70 67.17 1cfp h VAL 53 Cb 1.83 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1cfp h VAL 53 CO 0.22 0.04 -0.26 -0.78 0.02 0.00 0.00 177.57 176.82 1cfp h ASP 54 N 0.24 0.57 0.15 0.57 3.58 -1.24 -2.68 116.42 117.62 1cfp h ASP 54 Ca 0.64 -0.50 -0.01 0.00 0.42 0.00 0.00 57.03 57.58 1cfp h ASP 54 Cb 1.93 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.82 1cfp h ASP 54 CO -0.26 0.96 -0.07 0.11 -2.88 0.00 0.00 179.24 177.10 1cfp h LYS 55 N 0.20 -0.19 -0.78 0.28 6.56 0.36 -0.46 116.57 122.54 1cfp h LYS 55 Ca 0.03 0.01 0.29 0.00 -1.06 0.00 0.00 60.65 59.92 1cfp h LYS 55 Cb 0.82 0.04 -0.14 0.00 -0.57 0.00 0.00 32.23 32.38 1cfp h LYS 55 CO 0.06 -0.13 0.29 0.28 -2.06 0.00 0.00 179.45 177.89 1cfp n VAL 56 N -3.40 -0.33 0.10 0.50 0.31 0.59 0.17 118.33 116.29 1cfp n VAL 56 Ca -0.03 1.63 -0.17 0.00 -0.01 0.00 0.00 64.34 65.76 1cfp n VAL 56 Cb 0.08 -2.56 -0.14 0.00 -0.91 0.00 0.00 33.84 30.31 1cfp n VAL 56 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1cfp h MET 57 N 0.00 0.30 -0.45 5.55 2.86 -1.53 -2.84 114.93 118.83 1cfp h MET 57 Ca 0.60 -0.52 0.09 0.00 -2.06 0.00 0.00 59.70 57.82 1cfp h MET 57 Cb 1.50 0.19 -0.02 0.00 0.06 0.00 0.00 31.60 33.33 1cfp h MET 57 CO -0.65 1.24 0.31 1.05 1.06 0.00 0.00 176.91 179.92 1cfp h GLU 58 N 0.08 0.19 0.00 1.72 -0.00 0.36 -1.20 114.58 115.73 1cfp h GLU 58 Ca -0.16 -0.01 -0.08 0.00 -0.00 0.00 0.00 59.36 59.11 1cfp h GLU 58 Cb 2.00 -0.04 -0.01 0.00 -0.00 0.00 0.00 28.75 30.70 1cfp h GLU 58 CO 0.21 0.13 -0.57 1.15 -0.00 0.00 0.00 179.01 179.92 1cfp h THR 59 N 0.19 0.66 -1.05 -1.06 2.02 -1.44 -1.56 112.91 110.67 1cfp h THR 59 Ca 0.21 -1.66 0.27 0.00 0.77 0.00 0.00 66.41 66.00 1cfp h THR 59 Cb 0.57 1.41 -0.10 0.00 -1.74 0.00 0.00 68.15 68.29 1cfp h THR 59 CO -0.03 0.22 0.67 0.25 0.37 0.00 0.00 175.52 177.00 1cfp h LEU 60 N -1.00 0.47 0.10 2.58 6.46 -1.36 2.06 115.31 124.62 1cfp h LEU 60 Ca -0.12 0.10 -0.34 0.00 -0.12 0.00 0.00 57.88 57.40 1cfp h LEU 60 Cb 0.78 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.72 1cfp h LEU 60 CO -0.07 0.07 -1.86 -0.78 -0.62 0.00 0.00 178.44 175.18 1cfp h ASP 61 N 0.40 0.32 0.02 1.25 1.82 -1.36 -3.40 116.42 115.47 1cfp h ASP 61 Ca 0.62 -0.66 -0.30 0.00 -0.39 0.00 0.00 57.03 56.30 1cfp h ASP 61 Cb 1.53 -0.10 -0.04 0.00 0.68 0.00 0.00 39.33 41.40 1cfp h ASP 61 CO -0.34 1.59 -1.65 -1.54 -1.61 0.00 0.00 179.24 175.69 1cfp n SER 62 N -3.37 1.93 0.00 2.28 3.41 -0.50 -3.66 113.62 113.71 1cfp n SER 62 Ca -0.26 0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 1cfp n SER 62 Cb 1.05 -0.90 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 1cfp n SER 62 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1cfp n ASP 63 N -4.20 0.00 -0.02 4.04 2.03 0.69 -2.52 116.55 116.57 1cfp n ASP 63 Ca -0.37 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.06 1cfp n ASP 63 Cb 0.79 0.00 0.11 0.00 -0.72 0.00 0.00 41.12 41.30 1cfp n ASP 63 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1cfp n GLY 64 N 0.00 -1.10 3.09 0.27 0.00 -1.26 -5.02 105.19 101.17 1cfp n GLY 64 Ca 0.00 -0.46 -0.00 0.00 0.00 0.00 0.00 46.02 45.56 1cfp n GLY 64 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1cfp n ASP 65 N -1.43 -7.20 -0.20 1.61 5.75 -1.05 -2.37 116.55 111.67 1cfp n ASP 65 Ca 0.05 0.84 -0.03 0.00 -0.01 0.00 0.00 54.79 55.64 1cfp n ASP 65 Cb 0.34 -1.68 -0.01 0.00 -1.03 0.00 0.00 41.12 38.73 1cfp n ASP 65 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cfp n GLY 66 N 2.19 0.43 2.30 6.12 0.00 -1.26 -4.88 105.19 110.09 1cfp n GLY 66 Ca -0.01 -0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.70 1cfp n GLY 66 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1cfp n GLU 67 N -1.02 0.63 -2.91 1.61 2.13 -1.00 -4.83 120.64 115.25 1cfp n GLU 67 Ca -0.03 -3.02 -0.44 0.00 0.66 0.00 0.00 57.16 54.34 1cfp n GLU 67 Cb 0.32 -1.32 0.00 0.00 0.27 0.00 0.00 31.44 30.72 1cfp n GLU 67 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1cfp n ASP 69 N 3.02 0.99 0.00 0.00 -0.08 -1.26 0.95 116.55 120.17 1cfp n ASP 69 Ca 0.31 -1.94 0.00 0.00 -1.51 0.00 0.00 54.79 51.65 1cfp n ASP 69 Cb 0.37 -0.73 0.00 0.00 2.34 0.00 0.00 41.12 43.10 1cfp n ASP 69 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1cfp n PHE 70 N -3.08 0.00 0.11 -0.67 3.01 -1.26 0.25 117.46 115.82 1cfp n PHE 70 Ca 0.16 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.69 1cfp n PHE 70 Cb 0.57 0.00 0.37 0.00 -0.01 0.00 0.00 39.48 40.41 1cfp n PHE 70 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1cfp n GLN 71 N -0.38 0.09 0.11 -1.08 -0.00 -1.26 -1.65 117.38 113.20 1cfp n GLN 71 Ca 0.00 0.57 -0.23 0.00 -0.00 0.00 0.00 57.00 57.34 1cfp n GLN 71 Cb 0.00 -1.85 -0.15 0.00 -0.00 0.00 0.00 30.24 28.24 1cfp n GLN 71 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 1cfp h GLU 72 N 0.00 0.45 0.61 2.61 5.08 0.30 -1.62 114.58 122.01 1cfp h GLU 72 Ca 0.00 -0.77 -0.03 0.00 -1.00 0.00 0.00 59.36 57.56 1cfp h GLU 72 Cb 0.13 0.29 0.01 0.00 0.50 0.00 0.00 28.75 29.67 1cfp h GLU 72 CO 0.00 1.37 -0.29 0.35 -1.00 0.00 0.00 179.01 179.44 1cfp h PHE 73 N -0.00 -0.76 -0.21 4.33 3.57 0.20 0.75 116.94 124.82 1cfp h PHE 73 Ca -0.25 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.29 1cfp h PHE 73 Cb 2.02 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 41.00 1cfp h PHE 73 CO 0.14 -0.44 0.15 0.52 -2.23 0.00 0.00 178.31 176.45 1cfp h MET 74 N -0.90 0.00 0.66 1.11 2.86 -1.67 0.37 114.93 117.37 1cfp h MET 74 Ca -0.08 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.52 1cfp h MET 74 Cb 0.65 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.32 1cfp h MET 74 CO 0.14 0.00 -0.32 0.00 1.06 0.00 0.00 176.91 177.79 1cfp h ALA 75 N 1.89 -0.89 -0.10 6.32 0.00 -0.43 -1.75 119.26 124.31 1cfp h ALA 75 Ca 0.10 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1cfp h ALA 75 Cb 0.40 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1cfp h ALA 75 CO -0.00 -0.84 -0.07 0.35 0.00 0.00 0.00 179.25 178.70 1cfp h PHE 76 N -1.22 0.26 -1.00 0.00 3.57 -0.58 -0.36 116.94 117.61 1cfp h PHE 76 Ca -0.09 -0.07 0.23 0.00 3.53 0.00 0.00 57.97 61.57 1cfp h PHE 76 Cb 0.69 -0.06 -0.10 0.00 2.79 0.00 0.00 35.95 39.28 1cfp h PHE 76 CO 0.00 0.60 0.63 -0.24 -2.23 0.00 0.00 178.31 177.08 1cfp h VAL 77 N -0.16 0.60 -0.27 1.41 3.04 -0.37 0.60 116.25 121.10 1cfp h VAL 77 Ca 0.02 -0.18 -0.14 0.00 -1.01 0.00 0.00 66.70 65.39 1cfp h VAL 77 Cb 0.55 0.04 -0.00 0.00 -2.01 0.00 0.00 31.29 29.86 1cfp h VAL 77 CO 0.02 0.09 -0.37 0.00 -1.01 0.00 0.00 177.57 176.30 1cfp h ALA 78 N 1.64 0.41 -0.54 3.17 0.00 -0.96 0.93 119.26 123.91 1cfp h ALA 78 Ca 0.57 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1cfp h ALA 78 Cb 1.25 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1cfp h ALA 78 CO -0.32 0.49 0.29 0.52 0.00 0.00 0.00 179.25 180.23 1cfp h MET 79 N 0.46 0.74 0.00 0.00 2.07 0.18 -2.47 114.93 115.91 1cfp h MET 79 Ca 0.03 -0.08 0.00 0.00 -2.07 0.00 0.00 59.70 57.58 1cfp h MET 79 Cb 0.96 -0.15 0.00 0.00 -1.87 0.00 0.00 31.60 30.54 1cfp h MET 79 CO 0.09 0.55 -0.13 0.82 1.07 0.00 0.00 176.91 179.31 1cfp h ILE 80 N 0.75 0.00 -1.40 -1.22 1.08 -0.25 -3.35 117.51 113.12 1cfp h ILE 80 Ca 0.19 -0.65 0.43 0.00 -0.39 0.00 0.00 64.86 64.44 1cfp h ILE 80 Cb 0.03 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 33.70 1cfp h ILE 80 CO -0.03 0.00 0.98 0.41 -0.69 0.00 0.00 178.15 178.82 1cfp n THR 81 N -3.79 -0.07 -0.14 -0.27 -1.04 0.32 0.26 114.28 109.55 1cfp n THR 81 Ca -0.02 1.26 -0.09 0.00 -2.04 0.00 0.00 64.05 63.16 1cfp n THR 81 Cb 0.07 -2.08 0.06 0.00 -1.82 0.00 0.00 70.33 66.56 1cfp n THR 81 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1cfp h THR 82 N 0.00 1.27 -0.33 12.58 1.35 -1.57 -2.54 112.91 123.66 1cfp h THR 82 Ca 0.72 -1.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 1cfp h THR 82 Cb 2.72 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 70.18 1cfp h THR 82 CO -0.13 0.44 0.00 0.00 -0.25 0.00 0.00 175.52 175.58 1cfp n ALA 83 N -2.50 3.29 0.42 6.62 0.00 0.72 0.33 120.51 129.39 1cfp n ALA 83 Ca 0.01 -1.09 0.01 0.00 0.00 0.00 0.00 53.44 52.37 1cfp n ALA 83 Cb 0.40 -1.07 0.12 0.00 0.00 0.00 0.00 19.45 18.90 1cfp n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cfp n HIS 85 N 0.17 -2.04 -1.87 0.00 -0.00 -1.26 -5.06 115.22 105.16 1cfp n HIS 85 Ca 0.09 0.79 0.00 0.00 0.46 0.00 0.00 57.72 59.06 1cfp n HIS 85 Cb 0.57 -3.22 0.00 0.00 -0.12 0.00 0.00 29.99 27.22 1cfp n HIS 85 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1cfp n GLU 86 N -1.23 0.00 -0.20 1.57 -0.58 -1.26 -5.01 120.64 113.93 1cfp n GLU 86 Ca 0.02 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.74 1cfp n GLU 86 Cb 0.45 0.00 0.05 0.00 -0.57 0.00 0.00 31.44 31.37 1cfp n GLU 86 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1cfp h PHE 87 N 0.00 -0.45 0.00 -0.32 3.57 -1.95 -3.23 116.94 114.55 1cfp h PHE 87 Ca 0.00 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1cfp h PHE 87 Cb 0.00 0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.03 1cfp h PHE 87 CO 0.00 -0.29 0.00 1.19 -2.23 0.00 0.00 178.31 176.98 1cfp n PHE 88 N -5.43 0.00 -1.33 0.41 3.72 -1.26 -4.68 117.46 108.89 1cfp n PHE 88 Ca 0.06 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.35 1cfp n PHE 88 Cb 0.33 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.82 1cfp n PHE 88 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1cfp n GLU 89 N 0.00 -1.69 -2.85 -1.08 -0.58 0.15 -4.82 120.64 109.77 1cfp n GLU 89 Ca 0.00 0.90 -0.02 0.00 -0.42 0.00 0.00 57.16 57.62 1cfp n GLU 89 Cb 0.00 -5.32 0.01 0.00 -0.57 0.00 0.00 31.44 25.56 1cfp n GLU 89 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 1cfp s HIS 90 N -1.97 -1.26 -1.56 -0.32 3.76 -1.25 -4.98 115.29 107.70 1cfp s HIS 90 Ca 0.00 -0.21 0.00 0.00 -0.15 0.00 0.00 55.06 54.70 1cfp s HIS 90 Cb 0.00 0.24 0.00 0.00 1.11 0.00 0.00 32.58 33.93 1cfp s HIS 90 CO 0.00 -0.95 0.39 -0.85 -0.85 0.00 0.00 174.74 172.49