#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cfp h SER 1 N 0.00 0.00 -1.61 7.83 4.64 -2.05 -2.77 113.55 119.59 1cfp h SER 1 Ca 0.00 0.00 0.47 0.00 -0.47 0.00 0.00 61.79 61.79 1cfp h SER 1 Cb 0.00 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.02 1cfp h SER 1 CO 0.00 0.00 1.16 -0.62 -0.87 0.00 0.00 176.83 176.50 1cfp n GLU 2 N -2.47 -0.00 -0.01 4.77 -0.58 -1.26 -0.90 120.64 120.19 1cfp n GLU 2 Ca -0.01 0.90 -0.00 0.00 -0.42 0.00 0.00 57.16 57.63 1cfp n GLU 2 Cb 0.54 -2.06 -0.00 0.00 -0.57 0.00 0.00 31.44 29.35 1cfp n GLU 2 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1cfp h LEU 3 N 0.00 0.00 -0.93 -4.62 3.38 -1.91 -2.00 115.31 109.24 1cfp h LEU 3 Ca 0.77 0.00 0.27 0.00 0.09 0.00 0.00 57.88 59.02 1cfp h LEU 3 Cb 3.09 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 43.69 1cfp h LEU 3 CO -0.03 0.06 0.31 -0.08 0.09 0.00 0.00 178.44 178.80 1cfp h GLU 4 N -0.11 0.19 -0.36 1.13 4.22 -1.46 3.01 114.58 121.20 1cfp h GLU 4 Ca 0.00 -0.01 -0.06 0.00 0.08 0.00 0.00 59.36 59.37 1cfp h GLU 4 Cb 0.01 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1cfp h GLU 4 CO 0.00 0.13 0.01 0.87 -2.18 0.00 0.00 179.01 177.83 1cfp h LYS 5 N 0.20 0.64 -0.63 1.92 1.79 -1.17 0.36 116.57 119.68 1cfp h LYS 5 Ca 0.62 -0.20 -0.08 0.00 -2.18 0.00 0.00 60.65 58.81 1cfp h LYS 5 Cb 1.33 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.90 1cfp h LYS 5 CO -0.68 0.74 0.08 0.00 -1.08 0.00 0.00 179.45 178.51 1cfp h ALA 6 N 0.87 0.84 -0.45 3.86 0.00 0.12 -2.16 119.26 122.34 1cfp h ALA 6 Ca 0.10 -0.28 0.08 0.00 0.00 0.00 0.00 54.91 54.82 1cfp h ALA 6 Cb 0.45 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 1cfp h ALA 6 CO 0.02 0.62 -0.00 0.28 0.00 0.00 0.00 179.25 180.17 1cfp h VAL 7 N 0.97 0.65 -0.95 0.00 2.07 0.57 0.63 116.25 120.19 1cfp h VAL 7 Ca 0.19 -0.04 0.18 0.00 0.82 0.00 0.00 66.70 67.85 1cfp h VAL 7 Cb 0.47 0.53 -0.11 0.00 -1.52 0.00 0.00 31.29 30.67 1cfp h VAL 7 CO 0.02 0.02 0.54 0.58 0.02 0.00 0.00 177.57 178.74 1cfp h VAL 8 N 0.11 0.68 -0.26 2.57 2.07 0.32 0.38 116.25 122.12 1cfp h VAL 8 Ca 0.22 -0.23 -0.14 0.00 0.82 0.00 0.00 66.70 67.37 1cfp h VAL 8 Cb 0.33 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 1cfp h VAL 8 CO -0.37 0.12 -0.41 0.00 0.02 0.00 0.00 177.57 176.93 1cfp h ALA 9 N 1.63 0.79 -0.52 1.67 0.00 0.41 -2.83 119.26 120.42 1cfp h ALA 9 Ca 0.55 -0.45 0.06 0.00 0.00 0.00 0.00 54.91 55.07 1cfp h ALA 9 Cb 0.86 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1cfp h ALA 9 CO -0.40 0.65 0.35 -0.07 0.00 0.00 0.00 179.25 179.78 1cfp h LEU 10 N 0.51 0.39 -1.93 0.00 3.38 0.40 0.43 115.31 118.49 1cfp h LEU 10 Ca 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1cfp h LEU 10 Cb 0.93 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 1cfp h LEU 10 CO 0.08 0.25 0.00 0.16 0.09 0.00 0.00 178.44 179.03 1cfp h ILE 11 N 0.44 1.02 -0.17 1.22 -0.00 -1.08 0.40 117.51 119.34 1cfp h ILE 11 Ca 0.23 -0.08 -0.16 0.00 -0.00 0.00 0.00 64.86 64.84 1cfp h ILE 11 Cb 0.33 1.00 -0.01 0.00 -0.00 0.00 0.00 36.82 38.14 1cfp h ILE 11 CO -0.06 0.03 -0.57 0.44 -0.00 0.00 0.00 178.15 177.98 1cfp h ASP 12 N 0.04 0.60 0.65 2.16 5.19 -0.22 0.32 116.42 125.16 1cfp h ASP 12 Ca 0.01 -0.33 -0.03 0.00 -0.62 0.00 0.00 57.03 56.06 1cfp h ASP 12 Cb 0.03 -0.17 0.01 0.00 0.18 0.00 0.00 39.33 39.38 1cfp h ASP 12 CO 0.00 1.04 -0.31 0.58 -3.12 0.00 0.00 179.24 177.43 1cfp h VAL 13 N 0.40 0.00 -0.12 -1.35 2.07 0.42 -2.86 116.25 114.81 1cfp h VAL 13 Ca 0.00 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 1cfp h VAL 13 Cb 1.12 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1cfp h VAL 13 CO 0.11 0.00 -0.05 -0.26 0.02 0.00 0.00 177.57 177.39 1cfp h PHE 14 N -1.09 0.18 -0.83 1.57 -1.00 -0.82 0.35 116.94 115.29 1cfp h PHE 14 Ca -0.09 -0.01 0.21 0.00 2.81 0.00 0.00 57.97 60.89 1cfp h PHE 14 Cb 0.67 -0.06 -0.14 0.00 3.61 0.00 0.00 35.95 40.04 1cfp h PHE 14 CO 0.02 0.23 0.17 1.25 -1.61 0.00 0.00 178.31 178.38 1cfp h HIS 15 N 0.18 0.25 0.00 -0.55 -0.00 -0.20 0.02 115.15 114.84 1cfp h HIS 15 Ca 0.04 0.05 -0.06 0.00 -0.00 0.00 0.00 60.37 60.40 1cfp h HIS 15 Cb 0.21 0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 27.63 1cfp h HIS 15 CO 0.00 -0.20 -0.70 0.94 -0.00 0.00 0.00 177.93 177.97 1cfp n GLN 16 N -5.24 0.48 0.00 5.26 7.27 -0.64 -2.08 117.38 122.42 1cfp n GLN 16 Ca 0.19 0.54 0.00 0.00 0.07 0.00 0.00 57.00 57.80 1cfp n GLN 16 Cb 0.60 -1.71 0.00 0.00 2.41 0.00 0.00 30.24 31.54 1cfp n GLN 16 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1cfp n TYR 17 N -4.57 0.00 1.23 3.69 4.02 0.11 0.35 117.16 121.99 1cfp n TYR 17 Ca -0.14 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 57.84 1cfp n TYR 17 Cb 0.37 -0.20 0.53 0.00 -0.02 0.00 0.00 39.34 40.02 1cfp n TYR 17 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1cfp n SER 18 N -1.53 0.00 0.05 7.72 3.41 -0.12 -3.14 113.62 120.01 1cfp n SER 18 Ca 0.00 -0.67 0.00 0.00 -0.26 0.00 0.00 58.87 57.94 1cfp n SER 18 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1cfp n SER 18 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1cfp n GLY 19 N 0.22 -0.06 0.20 5.00 0.00 -0.44 -1.64 105.19 108.48 1cfp n GLY 19 Ca 0.13 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.33 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 -3.40 -0.02 0.00 1.61 1.85 1.07 -4.10 116.66 113.66 1cfp n ARG 20 Ca 0.00 0.63 0.00 0.00 -1.00 0.00 0.00 57.85 57.48 1cfp n ARG 20 Cb 0.00 -1.20 0.00 0.00 -1.05 0.00 0.00 32.46 30.21 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 -3.82 0.00 -1.56 2.89 2.13 -1.24 -5.03 120.64 114.02 1cfp n GLU 21 Ca 0.19 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.88 1cfp n GLU 21 Cb 0.71 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 32.31 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 -1.30 -0.35 7.00 8.31 0.00 -1.19 -4.75 105.19 112.91 1cfp n GLY 22 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 19.10 -1.66 -0.04 1.61 8.00 -1.26 -3.59 116.55 138.70 1cfp n ASP 23 Ca 0.42 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.71 1cfp n ASP 23 Cb 0.45 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.42 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 -0.05 0.71 -2.92 -1.24 5.02 -1.17 -3.95 118.16 114.55 1cfp n LYS 24 Ca 0.00 0.28 -0.13 0.00 -2.02 0.00 0.00 58.31 56.45 1cfp n LYS 24 Cb 0.00 -1.67 0.03 0.00 -0.02 0.00 0.00 35.03 33.37 1cfp n LYS 24 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1cfp n HIS 25 N -3.61 -0.69 -3.96 2.13 8.25 -0.65 -3.53 115.22 113.17 1cfp n HIS 25 Ca -0.36 -3.00 -0.10 0.00 -0.26 0.00 0.00 57.72 54.01 1cfp n HIS 25 Cb 0.98 0.32 -0.03 0.00 1.12 0.00 0.00 29.99 32.38 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 -1.60 1.76 0.32 -0.41 2.36 -1.22 -4.51 119.74 116.44 1cfp s LYS 26 Ca 0.31 -1.32 -0.09 0.00 -2.55 0.00 0.00 55.97 52.32 1cfp s LYS 26 Cb 0.36 0.52 0.01 0.00 -1.05 0.00 0.00 37.83 37.67 1cfp s LYS 26 CO -0.05 -0.76 0.55 -1.17 1.55 0.00 0.00 175.35 175.46 1cfp s LEU 27 N -3.05 0.57 0.05 5.43 2.96 0.88 -3.97 118.68 121.56 1cfp s LEU 27 Ca 0.21 -1.24 0.01 0.00 -0.22 0.00 0.00 54.13 52.89 1cfp s LEU 27 Cb -0.02 1.87 -0.03 0.00 0.50 0.00 0.00 46.19 48.51 1cfp s LEU 27 CO 0.11 -1.34 -0.06 -0.54 -1.32 0.00 0.00 176.35 173.20 1cfp s LYS 28 N -3.19 0.54 0.48 1.98 3.01 -1.26 -1.93 119.74 119.37 1cfp s LYS 28 Ca 0.25 -0.86 0.42 0.00 -1.01 0.00 0.00 55.97 54.77 1cfp s LYS 28 Cb -0.02 -0.15 1.45 0.00 -1.01 0.00 0.00 37.83 38.10 1cfp s LYS 28 CO 0.15 0.01 1.32 1.63 0.51 0.00 0.00 175.35 178.96 1cfp n LYS 29 N 1.14 0.00 0.05 1.68 4.01 -1.26 0.52 118.16 124.30 1cfp n LYS 29 Ca -0.21 0.92 -0.09 0.00 -0.51 0.00 0.00 58.31 58.42 1cfp n LYS 29 Cb 0.56 -2.13 -0.07 0.00 -0.51 0.00 0.00 35.03 32.88 1cfp n LYS 29 CO 0.00 0.00 0.00 0.77 -1.11 0.00 0.00 177.40 177.06 1cfp h SER 30 N 0.00 -0.18 -0.71 4.39 0.02 -1.94 -2.92 113.55 112.21 1cfp h SER 30 Ca 0.79 -0.32 -0.00 0.00 -0.84 0.00 0.00 61.79 61.41 1cfp h SER 30 Cb 3.20 0.05 -0.03 0.00 0.14 0.00 0.00 62.40 65.75 1cfp h SER 30 CO -0.01 0.39 0.44 -0.33 -1.14 0.00 0.00 176.83 176.18 1cfp h GLU 31 N -0.93 0.95 -0.75 3.45 5.08 -0.31 -1.71 114.58 120.37 1cfp h GLU 31 Ca -0.02 -0.08 0.17 0.00 -1.00 0.00 0.00 59.36 58.42 1cfp h GLU 31 Cb 0.49 -0.20 -0.13 0.00 0.50 0.00 0.00 28.75 29.40 1cfp h GLU 31 CO 0.04 0.67 -0.05 1.25 -1.00 0.00 0.00 179.01 179.91 1cfp h LEU 32 N 0.96 -0.44 -0.23 1.33 5.85 -0.81 0.61 115.31 122.58 1cfp h LEU 32 Ca 0.26 0.20 0.06 0.00 0.84 0.00 0.00 57.88 59.23 1cfp h LEU 32 Cb -0.05 0.38 -0.06 0.00 0.37 0.00 0.00 40.66 41.30 1cfp h LEU 32 CO -0.05 -0.20 -0.15 0.50 -0.34 0.00 0.00 178.44 178.20 1cfp h LYS 33 N 0.07 -0.13 -0.81 1.25 1.63 -1.11 0.15 116.57 117.63 1cfp h LYS 33 Ca 0.40 0.01 0.18 0.00 -0.85 0.00 0.00 60.65 60.38 1cfp h LYS 33 Cb 0.68 0.03 -0.11 0.00 -0.60 0.00 0.00 32.23 32.22 1cfp h LYS 33 CO -0.69 -0.09 0.28 1.49 -3.45 0.00 0.00 179.45 177.00 1cfp h GLU 34 N -0.13 0.34 -0.10 1.90 4.57 0.36 0.92 114.58 122.44 1cfp h GLU 34 Ca 0.13 -0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.32 1cfp h GLU 34 Cb 0.33 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 28.84 1cfp h GLU 34 CO -0.31 0.23 0.09 1.25 -1.18 0.00 0.00 179.01 179.09 1cfp h LEU 35 N 0.35 0.00 0.09 1.64 6.46 0.16 0.36 115.31 124.36 1cfp h LEU 35 Ca 0.47 0.00 -0.26 0.00 -0.12 0.00 0.00 57.88 57.98 1cfp h LEU 35 Cb 0.83 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.75 1cfp h LEU 35 CO -0.50 0.00 -1.33 0.40 -0.62 0.00 0.00 178.44 176.39 1cfp h ILE 36 N 0.00 1.03 0.00 4.05 1.08 0.15 -3.33 117.51 120.49 1cfp h ILE 36 Ca 0.05 -2.35 0.00 0.00 -0.39 0.00 0.00 64.86 62.16 1cfp h ILE 36 Cb 0.22 2.66 0.00 0.00 -3.07 0.00 0.00 36.82 36.63 1cfp h ILE 36 CO -0.00 0.64 0.00 -0.46 -0.69 0.00 0.00 178.15 177.64 1cfp n ASN 37 N -4.03 0.00 0.10 1.72 0.23 0.06 0.84 115.26 114.18 1cfp n ASN 37 Ca -0.26 0.07 -0.02 0.00 -0.53 0.00 0.00 54.58 53.84 1cfp n ASN 37 Cb 0.84 -0.33 -0.04 0.00 -2.08 0.00 0.00 39.78 38.17 1cfp n ASN 37 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 1cfp h ASN 38 N 0.00 0.00 0.00 0.53 4.21 -0.41 -3.36 115.58 116.55 1cfp h ASN 38 Ca 0.00 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.50 1cfp h ASN 38 Cb 0.25 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.45 1cfp h ASN 38 CO 0.00 0.72 -1.04 -0.62 -1.29 0.00 0.00 177.43 175.20 1cfp n GLU 39 N -3.25 0.02 -2.31 0.81 4.71 -1.12 -4.80 120.64 114.69 1cfp n GLU 39 Ca 0.00 0.01 -0.41 0.00 -0.01 0.00 0.00 57.16 56.74 1cfp n GLU 39 Cb 0.83 -0.74 0.00 0.00 -1.01 0.00 0.00 31.44 30.52 1cfp n GLU 39 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1cfp n LEU 40 N -2.80 7.31 -0.56 -4.62 4.77 0.25 -4.78 117.00 116.56 1cfp n LEU 40 Ca -0.01 -4.91 0.46 0.00 -0.03 0.00 0.00 56.01 51.52 1cfp n LEU 40 Cb 0.51 -1.37 0.72 0.00 -2.33 0.00 0.00 43.42 40.96 1cfp n LEU 40 CO 0.00 1.79 1.42 0.28 -1.33 0.00 0.00 177.39 179.56 1cfp h SER 41 N 5.03 0.00 -0.97 -1.43 0.02 -1.71 0.42 113.55 114.91 1cfp h SER 41 Ca 0.52 0.00 0.29 0.00 -0.84 0.00 0.00 61.79 61.76 1cfp h SER 41 Cb 0.45 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 62.85 1cfp h SER 41 CO 1.48 0.00 0.47 0.45 -1.14 0.00 0.00 176.83 178.09 1cfp h HIS 42 N 0.00 0.77 0.00 3.45 3.86 -1.89 2.10 115.15 123.44 1cfp h HIS 42 Ca 0.80 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 60.05 1cfp h HIS 42 Cb 3.48 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 31.77 1cfp h HIS 42 CO 0.00 -0.16 0.00 0.74 0.86 0.00 0.00 177.93 179.37 1cfp h PHE 43 N 0.32 0.00 -0.92 2.45 0.04 -0.46 -1.18 116.94 117.19 1cfp h PHE 43 Ca 0.67 0.00 0.21 0.00 2.80 0.00 0.00 57.97 61.65 1cfp h PHE 43 Cb 1.45 0.00 -0.12 0.00 2.20 0.00 0.00 35.95 39.48 1cfp h PHE 43 CO -0.08 0.00 0.47 1.25 -0.60 0.00 0.00 178.31 179.35 1cfp h LEU 44 N 0.00 0.50 0.00 1.54 5.85 0.33 0.44 115.31 123.97 1cfp h LEU 44 Ca 0.00 0.13 -0.19 0.00 0.84 0.00 0.00 57.88 58.66 1cfp h LEU 44 Cb 0.58 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 1cfp h LEU 44 CO 0.00 0.10 -1.55 -0.62 -0.34 0.00 0.00 178.44 176.03 1cfp n GLU 45 N -4.94 0.63 -1.11 1.25 4.71 -1.07 -4.93 120.64 115.17 1cfp n GLU 45 Ca 0.22 0.20 -0.07 0.00 -0.01 0.00 0.00 57.16 57.51 1cfp n GLU 45 Cb 0.62 -1.78 -0.03 0.00 -1.01 0.00 0.00 31.44 29.25 1cfp n GLU 45 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 1cfp n GLU 46 N -2.88 -1.79 -0.05 3.49 2.13 0.15 -4.70 120.64 116.99 1cfp n GLU 46 Ca -0.12 0.67 -0.07 0.00 0.66 0.00 0.00 57.16 58.31 1cfp n GLU 46 Cb 0.88 -4.96 -0.07 0.00 0.27 0.00 0.00 31.44 27.57 1cfp n GLU 46 CO 0.00 0.00 0.00 1.51 -0.41 0.00 0.00 177.13 178.23 1cfp n ILE 47 N -1.92 0.68 0.20 6.31 0.00 -1.26 -4.46 119.36 118.90 1cfp n ILE 47 Ca -0.07 -0.34 0.15 0.00 0.00 0.00 0.00 62.75 62.50 1cfp n ILE 47 Cb 0.50 -0.84 0.58 0.00 0.00 0.00 0.00 39.64 39.88 1cfp n ILE 47 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1cfp h LYS 48 N 0.00 0.00 -2.57 9.51 1.79 -1.84 -3.14 116.57 120.32 1cfp h LYS 48 Ca -0.27 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 57.62 1cfp h LYS 48 Cb 1.51 0.00 -0.39 0.00 -1.58 0.00 0.00 32.23 31.77 1cfp h LYS 48 CO -0.01 0.00 -0.86 -1.83 -1.08 0.00 0.00 179.45 175.66 1cfp s GLU 49 N -4.25 0.64 0.01 3.15 -1.05 -1.26 -5.02 118.70 110.91 1cfp s GLU 49 Ca -0.03 -1.48 -0.19 0.00 -0.15 0.00 0.00 54.97 53.13 1cfp s GLU 49 Cb 0.09 -1.37 -0.10 0.00 -0.44 0.00 0.00 34.13 32.31 1cfp s GLU 49 CO 0.31 -1.23 0.96 1.96 0.95 0.00 0.00 175.26 178.21 1cfp h GLN 50 N 6.80 -0.64 -1.13 -4.83 4.20 -1.79 -0.61 115.11 117.10 1cfp h GLN 50 Ca 0.09 0.04 0.32 0.00 0.06 0.00 0.00 58.65 59.16 1cfp h GLN 50 Cb 0.96 0.15 -0.10 0.00 0.30 0.00 0.00 27.48 28.78 1cfp h GLN 50 CO 0.29 -0.43 0.73 1.49 -0.67 0.00 0.00 178.83 180.24 1cfp h GLU 51 N -0.89 0.27 0.00 1.46 4.81 -1.95 1.39 114.58 119.67 1cfp h GLU 51 Ca -0.07 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.00 1cfp h GLU 51 Cb 0.51 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 1cfp h GLU 51 CO 0.11 0.18 -0.68 0.28 -0.73 0.00 0.00 179.01 178.17 1cfp h VAL 52 N 0.28 1.39 0.00 0.32 2.07 -1.82 -2.20 116.25 116.29 1cfp h VAL 52 Ca 0.65 -2.41 -0.06 0.00 0.82 0.00 0.00 66.70 65.70 1cfp h VAL 52 Cb 1.85 2.34 -0.01 0.00 -1.52 0.00 0.00 31.29 33.95 1cfp h VAL 52 CO -0.31 0.67 -0.31 0.58 0.02 0.00 0.00 177.57 178.22 1cfp h VAL 53 N 0.00 0.92 -0.13 2.57 2.07 0.34 1.28 116.25 123.31 1cfp h VAL 53 Ca -0.01 -1.18 -0.10 0.00 0.82 0.00 0.00 66.70 66.23 1cfp h VAL 53 Cb 1.28 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.75 1cfp h VAL 53 CO 0.09 0.30 -0.33 -0.78 0.02 0.00 0.00 177.57 176.87 1cfp h ASP 54 N 0.00 0.51 0.08 0.57 3.58 -0.47 -2.26 116.42 118.42 1cfp h ASP 54 Ca -0.00 -0.59 -0.00 0.00 0.42 0.00 0.00 57.03 56.86 1cfp h ASP 54 Cb 0.67 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.58 1cfp h ASP 54 CO 0.04 1.00 -0.04 0.11 -2.88 0.00 0.00 179.24 177.47 1cfp h LYS 55 N 0.03 -0.10 -0.98 0.28 6.56 -0.89 -2.06 116.57 119.41 1cfp h LYS 55 Ca -0.01 0.01 0.39 0.00 -1.06 0.00 0.00 60.65 59.98 1cfp h LYS 55 Cb 0.94 0.02 -0.18 0.00 -0.57 0.00 0.00 32.23 32.45 1cfp h LYS 55 CO 0.07 -0.07 0.45 0.28 -2.06 0.00 0.00 179.45 178.12 1cfp n VAL 56 N -3.88 -0.41 0.08 0.50 0.31 0.44 0.19 118.33 115.56 1cfp n VAL 56 Ca -0.01 2.01 -0.10 0.00 -0.01 0.00 0.00 64.34 66.22 1cfp n VAL 56 Cb 0.04 -3.21 -0.05 0.00 -0.91 0.00 0.00 33.84 29.72 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 0.21 -0.60 5.55 2.86 -1.49 -2.53 114.93 118.93 1cfp h MET 57 Ca 0.79 -0.26 0.10 0.00 -2.06 0.00 0.00 59.70 58.27 1cfp h MET 57 Cb 2.04 0.08 -0.04 0.00 0.06 0.00 0.00 31.60 33.75 1cfp h MET 57 CO -0.78 1.02 0.40 1.05 1.06 0.00 0.00 176.91 179.66 1cfp h GLU 58 N 0.10 0.38 0.03 1.72 -0.00 0.28 1.43 114.58 118.52 1cfp h GLU 58 Ca -0.06 -0.02 -0.32 0.00 -0.00 0.00 0.00 59.36 58.96 1cfp h GLU 58 Cb 1.62 -0.08 -0.04 0.00 -0.00 0.00 0.00 28.75 30.24 1cfp h GLU 58 CO 0.15 0.25 -1.85 2.41 -0.00 0.00 0.00 179.01 179.97 1cfp n THR 59 N -4.47 1.64 1.00 -1.06 -1.04 -1.00 -4.14 114.28 105.21 1cfp n THR 59 Ca 0.10 -0.76 0.12 0.00 -2.04 0.00 0.00 64.05 61.47 1cfp n THR 59 Cb 0.39 -1.19 0.24 0.00 -1.82 0.00 0.00 70.33 67.94 1cfp n THR 59 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1cfp n LEU 60 N -3.14 0.53 -0.36 -4.42 0.00 -0.88 -3.85 117.00 104.87 1cfp n LEU 60 Ca -0.23 -0.02 0.13 0.00 0.00 0.00 0.00 56.01 55.89 1cfp n LEU 60 Cb 1.06 -0.24 0.40 0.00 0.00 0.00 0.00 43.42 44.64 1cfp n LEU 60 CO 0.44 0.13 0.71 -0.67 0.00 0.00 0.00 177.39 178.00 1cfp n ASP 61 N -1.49 1.30 -0.40 1.96 2.03 0.48 -4.15 116.55 116.28 1cfp n ASP 61 Ca 0.05 -1.16 0.39 0.00 0.52 0.00 0.00 54.79 54.59 1cfp n ASP 61 Cb 0.33 0.10 0.72 0.00 -0.72 0.00 0.00 41.12 41.56 1cfp n ASP 61 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1cfp h SER 62 N 1.77 0.00 -3.64 1.67 4.64 -1.73 -3.46 113.55 112.80 1cfp h SER 62 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1cfp h SER 62 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1cfp h SER 62 CO 0.00 0.00 -0.80 -0.67 -0.87 0.00 0.00 176.83 174.49 1cfp n ASP 63 N -3.86 -7.45 -2.55 4.97 2.03 -1.26 -4.72 116.55 103.71 1cfp n ASP 63 Ca 0.30 1.15 -0.23 0.00 0.52 0.00 0.00 54.79 56.53 1cfp n ASP 63 Cb 1.52 -4.60 0.02 0.00 -0.72 0.00 0.00 41.12 37.34 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 -1.09 0.07 0.00 0.27 0.00 -1.26 -4.51 105.19 98.67 1cfp n GLY 64 Ca 0.00 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.70 1cfp n GLY 64 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1cfp n ASP 65 N 0.20 0.00 -4.55 1.61 2.03 -1.26 -5.05 116.55 109.53 1cfp n ASP 65 Ca -0.06 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.11 1cfp n ASP 65 Cb 0.41 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.72 1cfp n ASP 65 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1cfp n GLY 66 N 0.00 -0.27 3.54 0.27 0.00 -1.26 -4.81 105.19 102.66 1cfp n GLY 66 Ca 0.00 0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1cfp n GLY 66 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1cfp s GLU 67 N 8.64 3.35 0.05 1.61 -1.05 -1.26 -4.09 118.70 125.96 1cfp s GLU 67 Ca 0.89 -0.14 -0.23 0.00 -0.15 0.00 0.00 54.97 55.34 1cfp s GLU 67 Cb -0.13 -4.07 -0.06 0.00 -0.44 0.00 0.00 34.13 29.42 1cfp s GLU 67 CO 0.14 -1.66 0.69 0.00 0.95 0.00 0.00 175.26 175.37 1cfp s ASP 69 N -0.42 0.04 0.00 0.00 -1.08 -1.26 0.30 116.67 114.25 1cfp s ASP 69 Ca 0.34 -1.00 0.00 0.00 -0.52 0.00 0.00 52.55 51.38 1cfp s ASP 69 Cb -0.20 0.63 0.00 0.00 -1.46 0.00 0.00 42.92 41.89 1cfp s ASP 69 CO 0.21 -1.23 0.00 0.49 0.52 0.00 0.00 175.17 175.16 1cfp n PHE 70 N -0.43 0.00 0.18 -5.34 3.72 -1.26 -0.01 117.46 114.32 1cfp n PHE 70 Ca -0.02 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.27 1cfp n PHE 70 Cb 0.61 -0.47 -0.06 0.00 -0.94 0.00 0.00 39.48 38.62 1cfp n PHE 70 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1cfp h GLN 71 N 0.00 -0.51 -0.05 -1.08 -0.00 -1.96 -3.28 115.11 108.22 1cfp h GLN 71 Ca 0.00 0.03 0.01 0.00 -0.00 0.00 0.00 58.65 58.70 1cfp h GLN 71 Cb 0.00 0.12 -0.02 0.00 0.00 0.00 0.00 27.48 27.57 1cfp h GLN 71 CO 0.00 -0.24 -0.19 0.93 0.00 0.00 0.00 178.83 179.34 1cfp h GLU 72 N -1.05 -0.19 -0.88 1.69 5.08 -0.76 0.64 114.58 119.12 1cfp h GLU 72 Ca -0.05 0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.46 1cfp h GLU 72 Cb 0.51 0.04 -0.14 0.00 0.50 0.00 0.00 28.75 29.66 1cfp h GLU 72 CO 0.09 -0.13 -0.33 0.34 -1.00 0.00 0.00 179.01 177.98 1cfp n PHE 73 N -3.56 0.05 0.15 4.33 7.35 -1.23 0.27 117.46 124.83 1cfp n PHE 73 Ca -0.02 1.08 -0.00 0.00 -0.76 0.00 0.00 57.45 57.75 1cfp n PHE 73 Cb 0.13 -0.84 0.23 0.00 0.35 0.00 0.00 39.48 39.35 1cfp n PHE 73 CO 0.00 0.00 0.00 0.52 -0.76 0.00 0.00 176.76 176.52 1cfp h MET 74 N 0.00 0.01 0.24 -4.13 2.86 -1.50 -0.01 114.93 112.41 1cfp h MET 74 Ca 0.31 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.93 1cfp h MET 74 Cb 0.53 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.20 1cfp h MET 74 CO -0.87 0.54 -0.12 0.00 1.06 0.00 0.00 176.91 177.52 1cfp h ALA 75 N 1.46 -0.56 -0.12 6.32 0.00 0.99 -2.89 119.26 124.45 1cfp h ALA 75 Ca -0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1cfp h ALA 75 Cb 0.95 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1cfp h ALA 75 CO 0.07 -0.54 0.07 0.35 0.00 0.00 0.00 179.25 179.20 1cfp h PHE 76 N -0.59 0.16 -0.90 0.00 3.57 0.14 -1.22 116.94 118.10 1cfp h PHE 76 Ca -0.03 -0.00 0.25 0.00 3.53 0.00 0.00 57.97 61.72 1cfp h PHE 76 Cb 0.25 -0.05 -0.14 0.00 2.79 0.00 0.00 35.95 38.79 1cfp h PHE 76 CO 0.05 0.16 0.28 -0.24 -2.23 0.00 0.00 178.31 176.33 1cfp h VAL 77 N 0.12 0.30 -0.47 1.41 3.04 -1.11 2.67 116.25 122.21 1cfp h VAL 77 Ca 0.04 -0.07 -0.03 0.00 -1.01 0.00 0.00 66.70 65.63 1cfp h VAL 77 Cb 0.05 0.06 -0.02 0.00 -2.01 0.00 0.00 31.29 29.37 1cfp h VAL 77 CO -0.01 0.04 0.16 0.00 -1.01 0.00 0.00 177.57 176.76 1cfp h ALA 78 N 1.80 0.61 0.00 3.17 0.00 -1.15 -1.38 119.26 122.31 1cfp h ALA 78 Ca 0.58 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 1cfp h ALA 78 Cb 1.21 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1cfp h ALA 78 CO -0.66 0.24 -0.07 1.98 0.00 0.00 0.00 179.25 180.74 1cfp h MET 79 N 0.61 0.00 0.29 0.00 -1.53 0.52 1.06 114.93 115.88 1cfp h MET 79 Ca 0.15 0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 56.40 1cfp h MET 79 Cb 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.29 1cfp h MET 79 CO -0.01 0.07 -0.14 0.82 0.14 0.00 0.00 176.91 177.79 1cfp h ILE 80 N 0.00 0.00 0.00 1.77 2.04 0.24 -3.25 117.51 118.31 1cfp h ILE 80 Ca -0.00 -0.59 -0.01 0.00 1.00 0.00 0.00 64.86 65.25 1cfp h ILE 80 Cb 0.14 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.22 1cfp h ILE 80 CO 0.01 0.00 -0.07 0.74 0.00 0.00 0.00 178.15 178.83 1cfp h THR 81 N -0.99 0.65 -0.84 -0.27 2.02 -1.13 -2.32 112.91 110.04 1cfp h THR 81 Ca -0.04 -0.27 0.07 0.00 0.77 0.00 0.00 66.41 66.94 1cfp h THR 81 Cb 0.30 1.17 -0.05 0.00 -1.74 0.00 0.00 68.15 67.82 1cfp h THR 81 CO 0.07 0.06 0.55 0.71 0.37 0.00 0.00 175.52 177.28 1cfp h THR 82 N 0.00 1.03 0.00 3.16 1.35 0.11 0.34 112.91 118.91 1cfp h THR 82 Ca -0.00 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 1cfp h THR 82 Cb 0.16 0.04 0.00 0.00 -1.73 0.00 0.00 68.15 66.62 1cfp h THR 82 CO 0.01 0.17 0.13 0.00 -0.25 0.00 0.00 175.52 175.58 1cfp h ALA 83 N 1.55 1.13 -3.00 6.62 0.00 -1.47 -3.33 119.26 120.76 1cfp h ALA 83 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1cfp h ALA 83 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1cfp h ALA 83 CO -0.14 -0.13 0.00 0.00 0.00 0.00 0.00 179.25 178.98 1cfp n HIS 85 N 0.00 0.00 -2.96 0.00 8.25 -1.25 -4.91 115.22 114.34 1cfp n HIS 85 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1cfp n HIS 85 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1cfp n HIS 85 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1cfp n GLU 86 N -0.49 0.00 -0.32 -0.41 2.13 -1.26 -2.88 120.64 117.41 1cfp n GLU 86 Ca 0.00 0.00 0.20 0.00 0.66 0.00 0.00 57.16 58.02 1cfp n GLU 86 Cb 0.00 0.00 0.40 0.00 0.27 0.00 0.00 31.44 32.11 1cfp n GLU 86 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1cfp h PHE 87 N 0.00 0.40 0.00 4.31 -0.00 -2.00 2.03 116.94 121.68 1cfp h PHE 87 Ca 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 57.97 58.02 1cfp h PHE 87 Cb 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 35.95 35.93 1cfp h PHE 87 CO 0.00 -0.37 0.00 1.19 -0.00 0.00 0.00 178.31 179.13 1cfp n PHE 88 N -5.32 0.00 -1.09 6.09 3.72 -1.14 -4.83 117.46 114.90 1cfp n PHE 88 Ca 0.28 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.32 1cfp n PHE 88 Cb 0.92 -0.42 -0.11 0.00 -0.94 0.00 0.00 39.48 38.93 1cfp n PHE 88 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1cfp n GLU 89 N -1.42 0.00 0.00 -1.08 2.13 0.69 -4.69 120.64 116.26 1cfp n GLU 89 Ca 0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.90 1cfp n GLU 89 Cb 0.27 -1.14 0.00 0.00 0.27 0.00 0.00 31.44 30.83 1cfp n GLU 89 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1cfp n HIS 90 N 7.32 0.00 0.62 4.31 8.25 -1.26 -4.96 115.22 129.49 1cfp n HIS 90 Ca 0.48 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 58.01 1cfp n HIS 90 Cb 0.01 -0.46 0.06 0.00 1.12 0.00 0.00 29.99 30.72 1cfp n HIS 90 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37