#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 -1.53 3.17 0.02 -2.04 -3.34 113.55 109.83 1cfp h SER 1 Ca 0.00 -0.08 0.44 0.00 -0.84 0.00 0.00 61.79 61.31 1cfp h SER 1 Cb 0.00 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.48 1cfp h SER 1 CO 0.00 0.04 1.24 -0.62 -1.14 0.00 0.00 176.83 176.35 1cfp n GLU 2 N -2.38 0.00 0.02 3.45 1.02 -1.26 -0.48 120.64 121.02 1cfp n GLU 2 Ca 0.04 0.96 -0.01 0.00 -0.02 0.00 0.00 57.16 58.13 1cfp n GLU 2 Cb 0.46 -2.27 -0.01 0.00 -0.02 0.00 0.00 31.44 29.60 1cfp n GLU 2 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1cfp h LEU 3 N 0.00 -0.07 -1.20 -4.62 4.07 -1.98 0.22 115.31 111.72 1cfp h LEU 3 Ca 0.73 0.00 0.18 0.00 0.08 0.00 0.00 57.88 58.87 1cfp h LEU 3 Cb 3.19 0.02 -0.09 0.00 1.08 0.00 0.00 40.66 44.86 1cfp h LEU 3 CO -0.01 0.08 0.61 1.05 -1.08 0.00 0.00 178.44 179.09 1cfp h GLU 4 N -0.35 0.64 -0.40 1.13 4.11 -1.31 0.70 114.58 119.09 1cfp h GLU 4 Ca -0.01 -0.04 -0.15 0.00 0.07 0.00 0.00 59.36 59.24 1cfp h GLU 4 Cb 0.07 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1cfp h GLU 4 CO 0.01 0.42 -0.32 0.87 0.07 0.00 0.00 179.01 180.07 1cfp h LYS 5 N 0.66 0.93 -0.35 1.06 1.57 -0.88 0.24 116.57 119.80 1cfp h LYS 5 Ca 0.52 -0.46 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 1cfp h LYS 5 Cb 0.94 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.24 1cfp h LYS 5 CO -0.28 1.12 -0.06 0.00 -0.57 0.00 0.00 179.45 179.65 1cfp h ALA 6 N 0.79 1.25 0.36 3.86 0.00 0.30 -1.66 119.26 124.16 1cfp h ALA 6 Ca 0.07 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1cfp h ALA 6 Cb 0.91 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1cfp h ALA 6 CO 0.08 0.50 -0.17 0.28 0.00 0.00 0.00 179.25 179.94 1cfp h VAL 7 N 0.54 0.60 -0.31 0.00 2.07 0.60 0.23 116.25 119.97 1cfp h VAL 7 Ca 0.11 -0.56 0.09 0.00 0.82 0.00 0.00 66.70 67.16 1cfp h VAL 7 Cb 0.44 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1cfp h VAL 7 CO 0.02 0.10 0.60 0.58 0.02 0.00 0.00 177.57 178.89 1cfp h VAL 8 N -0.82 0.14 0.00 2.57 2.07 -0.27 0.29 116.25 120.22 1cfp h VAL 8 Ca -0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1cfp h VAL 8 Cb 0.53 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1cfp h VAL 8 CO 0.08 0.00 -0.17 0.00 0.02 0.00 0.00 177.57 177.50 1cfp h ALA 9 N 1.09 0.00 -0.83 1.67 0.00 -0.53 -3.31 119.26 117.34 1cfp h ALA 9 Ca 0.15 -0.26 0.21 0.00 0.00 0.00 0.00 54.91 55.00 1cfp h ALA 9 Cb 1.35 0.17 -0.13 0.00 0.00 0.00 0.00 17.79 19.18 1cfp h ALA 9 CO -0.00 0.17 0.22 -0.07 0.00 0.00 0.00 179.25 179.57 1cfp h LEU 10 N -0.46 0.02 -1.53 0.00 3.38 0.04 2.03 115.31 118.78 1cfp h LEU 10 Ca 0.00 0.18 0.29 0.00 0.09 0.00 0.00 57.88 58.44 1cfp h LEU 10 Cb 0.17 0.24 -0.08 0.00 0.09 0.00 0.00 40.66 41.07 1cfp h LEU 10 CO 0.00 -0.10 0.72 0.16 0.09 0.00 0.00 178.44 179.31 1cfp h ILE 11 N 0.24 0.48 -0.70 1.22 -0.00 -0.62 2.30 117.51 120.43 1cfp h ILE 11 Ca 0.50 -0.09 -0.06 0.00 -0.00 0.00 0.00 64.86 65.21 1cfp h ILE 11 Cb 0.96 0.18 -0.03 0.00 -0.00 0.00 0.00 36.82 37.93 1cfp h ILE 11 CO -0.60 0.05 0.20 -0.78 -0.00 0.00 0.00 178.15 177.02 1cfp h ASP 12 N 0.27 1.02 0.14 2.16 1.82 0.32 -1.36 116.42 120.79 1cfp h ASP 12 Ca 0.59 -0.20 0.01 0.00 -0.39 0.00 0.00 57.03 57.05 1cfp h ASP 12 Cb 1.74 -0.27 -0.03 0.00 0.68 0.00 0.00 39.33 41.46 1cfp h ASP 12 CO -0.23 0.96 -0.22 0.58 -1.61 0.00 0.00 179.24 178.73 1cfp h VAL 13 N 1.04 0.52 -0.26 2.25 2.07 0.42 -2.34 116.25 119.95 1cfp h VAL 13 Ca 0.22 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.80 1cfp h VAL 13 Cb 0.32 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 1cfp h VAL 13 CO -0.00 0.00 -0.07 -0.26 0.02 0.00 0.00 177.57 177.26 1cfp h PHE 14 N -0.42 -0.14 -1.00 1.57 0.04 -0.85 0.89 116.94 117.02 1cfp h PHE 14 Ca 0.02 0.02 0.38 0.00 2.80 0.00 0.00 57.97 61.20 1cfp h PHE 14 Cb 0.43 0.10 -0.17 0.00 2.20 0.00 0.00 35.95 38.51 1cfp h PHE 14 CO -0.19 -0.11 0.55 1.25 -0.60 0.00 0.00 178.31 179.21 1cfp h HIS 15 N -0.00 0.87 0.00 -0.55 2.76 -0.74 0.16 115.15 117.65 1cfp h HIS 15 Ca 0.12 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.33 1cfp h HIS 15 Cb 0.19 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 28.94 1cfp h HIS 15 CO -0.26 -0.37 -0.09 1.04 -1.30 0.00 0.00 177.93 176.95 1cfp n GLN 16 N -5.18 0.08 -0.35 5.26 6.02 -0.12 -3.42 117.38 119.67 1cfp n GLN 16 Ca 0.36 0.29 -0.00 0.00 -0.01 0.00 0.00 57.00 57.63 1cfp n GLN 16 Cb 1.18 -0.91 0.05 0.00 1.02 0.00 0.00 30.24 31.58 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 -2.68 0.06 0.15 1.08 4.02 0.29 0.26 117.16 120.36 1cfp n TYR 17 Ca -0.01 1.12 0.01 0.00 -0.01 0.00 0.00 57.90 59.01 1cfp n TYR 17 Cb 0.05 -0.86 0.22 0.00 -0.02 0.00 0.00 39.34 38.73 1cfp n TYR 17 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 1cfp h SER 18 N 0.00 0.00 -0.79 7.72 0.02 -0.85 -3.30 113.55 116.36 1cfp h SER 18 Ca 0.33 0.00 -0.48 0.00 -0.84 0.00 0.00 61.79 60.80 1cfp h SER 18 Cb 0.56 0.00 -0.42 0.00 0.14 0.00 0.00 62.40 62.68 1cfp h SER 18 CO -0.91 0.53 -0.89 0.61 -1.14 0.00 0.00 176.83 175.03 1cfp n GLY 19 N 0.29 5.10 0.42 -3.77 0.00 0.19 -3.33 105.19 104.10 1cfp n GLY 19 Ca -0.01 -2.26 0.06 0.00 0.00 0.00 0.00 46.02 43.81 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 -0.63 0.79 0.00 1.61 1.85 0.74 -4.78 116.66 116.25 1cfp n ARG 20 Ca 0.34 -1.10 0.00 0.00 -1.00 0.00 0.00 57.85 56.09 1cfp n ARG 20 Cb 0.89 -1.20 0.00 0.00 -1.05 0.00 0.00 32.46 31.09 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 0.51 0.00 -0.34 2.89 4.07 -1.26 -5.03 120.64 121.48 1cfp n GLU 21 Ca 0.06 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.16 1cfp n GLU 21 Cb 0.28 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.66 1cfp n GLU 21 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1cfp n GLY 22 N 1.77 0.20 3.82 8.31 0.00 -1.26 -5.11 105.19 112.91 1cfp n GLY 22 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1cfp n GLY 22 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1cfp s ASP 23 N -0.33 5.51 0.00 1.61 1.01 -1.25 -5.07 116.67 118.15 1cfp s ASP 23 Ca 0.00 -0.23 0.00 0.00 0.71 0.00 0.00 52.55 53.03 1cfp s ASP 23 Cb 0.00 -1.40 0.00 0.00 1.01 0.00 0.00 42.92 42.53 1cfp s ASP 23 CO 0.00 -0.02 0.00 0.29 0.21 0.00 0.00 175.17 175.65 1cfp n LYS 24 N -1.04 0.00 -2.87 8.23 5.02 -1.21 -3.86 118.16 122.43 1cfp n LYS 24 Ca -0.08 0.30 -0.12 0.00 -2.02 0.00 0.00 58.31 56.39 1cfp n LYS 24 Cb 0.57 -0.80 0.03 0.00 -0.02 0.00 0.00 35.03 34.82 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 -2.20 -0.48 -3.66 2.13 8.25 -1.26 -3.87 115.22 114.13 1cfp n HIS 25 Ca 0.00 -2.91 -0.06 0.00 -0.26 0.00 0.00 57.72 54.50 1cfp n HIS 25 Cb 0.00 0.28 -0.07 0.00 1.12 0.00 0.00 29.99 31.32 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 -1.75 0.52 0.03 -0.41 2.36 -1.26 -4.70 119.74 114.52 1cfp s LYS 26 Ca 0.30 1.21 0.01 0.00 -2.55 0.00 0.00 55.97 54.94 1cfp s LYS 26 Cb 0.38 0.45 -0.04 0.00 -1.05 0.00 0.00 37.83 37.58 1cfp s LYS 26 CO -0.04 -0.20 0.09 -0.51 1.55 0.00 0.00 175.35 176.25 1cfp s LEU 27 N 2.35 3.92 0.16 5.43 1.02 -0.64 -4.86 118.68 126.05 1cfp s LEU 27 Ca -0.06 0.11 0.01 0.00 0.02 0.00 0.00 54.13 54.21 1cfp s LEU 27 Cb -0.10 -2.42 -0.04 0.00 0.02 0.00 0.00 46.19 43.65 1cfp s LEU 27 CO -0.17 0.23 0.31 -0.54 0.02 0.00 0.00 176.35 176.20 1cfp s LYS 28 N -2.04 3.46 0.21 1.70 1.02 -1.26 0.22 119.74 123.05 1cfp s LYS 28 Ca 0.26 -0.52 0.08 0.00 0.02 0.00 0.00 55.97 55.82 1cfp s LYS 28 Cb -0.12 -2.93 0.68 0.00 -0.52 0.00 0.00 37.83 34.93 1cfp s LYS 28 CO 0.18 0.49 0.96 0.36 -0.92 0.00 0.00 175.35 176.43 1cfp n LYS 29 N -0.54 -0.04 0.28 1.68 2.85 -1.26 0.94 118.16 122.07 1cfp n LYS 29 Ca -0.06 0.88 -0.15 0.00 -1.05 0.00 0.00 58.31 57.93 1cfp n LYS 29 Cb 0.54 -1.49 -0.08 0.00 -0.65 0.00 0.00 35.03 33.35 1cfp n LYS 29 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 177.40 178.12 1cfp h SER 30 N 0.00 -0.62 -0.90 -5.58 0.02 -1.94 -1.74 113.55 102.78 1cfp h SER 30 Ca 0.46 -0.05 0.20 0.00 -0.84 0.00 0.00 61.79 61.56 1cfp h SER 30 Cb 1.12 0.16 -0.07 0.00 0.14 0.00 0.00 62.40 63.76 1cfp h SER 30 CO -0.52 -0.28 0.60 -0.33 -1.14 0.00 0.00 176.83 175.16 1cfp h GLU 31 N -1.00 0.41 -0.26 3.45 4.39 0.21 0.39 114.58 122.17 1cfp h GLU 31 Ca -0.08 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.64 1cfp h GLU 31 Cb 0.64 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.15 1cfp h GLU 31 CO 0.12 0.27 -0.00 1.25 -1.16 0.00 0.00 179.01 179.49 1cfp h LEU 32 N 0.42 -0.11 -0.28 1.33 6.46 -0.00 -1.87 115.31 121.26 1cfp h LEU 32 Ca 0.47 0.06 0.05 0.00 -0.12 0.00 0.00 57.88 58.34 1cfp h LEU 32 Cb 1.16 0.11 -0.08 0.00 -0.73 0.00 0.00 40.66 41.12 1cfp h LEU 32 CO -0.18 -0.02 -0.47 0.50 -0.62 0.00 0.00 178.44 177.65 1cfp h LYS 33 N 0.07 -0.42 -0.81 1.25 3.11 0.66 0.28 116.57 120.71 1cfp h LYS 33 Ca 0.12 0.03 0.20 0.00 -2.81 0.00 0.00 60.65 58.19 1cfp h LYS 33 Cb 0.16 0.10 -0.14 0.00 -1.00 0.00 0.00 32.23 31.35 1cfp h LYS 33 CO -0.21 -0.28 0.07 1.49 -2.81 0.00 0.00 179.45 177.71 1cfp h GLU 34 N -0.44 0.12 -0.92 1.90 4.81 -1.21 0.83 114.58 119.68 1cfp h GLU 34 Ca 0.09 -0.01 0.19 0.00 -0.13 0.00 0.00 59.36 59.51 1cfp h GLU 34 Cb 0.62 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.90 1cfp h GLU 34 CO -0.50 0.08 0.60 1.25 -0.73 0.00 0.00 179.01 179.71 1cfp h LEU 35 N 0.13 0.50 0.19 1.64 6.46 0.32 1.87 115.31 126.41 1cfp h LEU 35 Ca 0.47 0.05 -0.32 0.00 -0.12 0.00 0.00 57.88 57.96 1cfp h LEU 35 Cb 0.87 -0.04 0.02 0.00 -0.73 0.00 0.00 40.66 40.77 1cfp h LEU 35 CO -0.69 0.21 -1.53 0.40 -0.62 0.00 0.00 178.44 176.21 1cfp h ILE 36 N 0.50 1.09 0.00 4.05 1.08 0.12 -3.17 117.51 121.19 1cfp h ILE 36 Ca 0.48 -2.53 -0.05 0.00 -0.39 0.00 0.00 64.86 62.36 1cfp h ILE 36 Cb 1.06 2.87 -0.01 0.00 -3.07 0.00 0.00 36.82 37.67 1cfp h ILE 36 CO -0.21 0.80 -0.26 0.78 -0.69 0.00 0.00 178.15 178.57 1cfp h ASN 37 N -0.02 0.00 1.34 1.72 -0.26 0.70 2.35 115.58 121.42 1cfp h ASN 37 Ca -0.30 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.44 1cfp h ASN 37 Cb 2.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 39.26 1cfp h ASN 37 CO 0.18 0.26 0.00 -3.20 -1.06 0.00 0.00 177.43 173.61 1cfp n ASN 38 N -3.98 0.68 -0.04 5.81 2.85 0.62 -2.82 115.26 118.38 1cfp n ASN 38 Ca -0.02 0.57 -0.06 0.00 -0.11 0.00 0.00 54.58 54.96 1cfp n ASN 38 Cb 0.33 -0.75 -0.04 0.00 1.24 0.00 0.00 39.78 40.56 1cfp n ASN 38 CO 0.00 0.00 0.00 -1.84 -2.11 0.00 0.00 177.26 173.31 1cfp n GLU 39 N -2.15 0.47 -3.37 1.20 0.28 -0.63 -4.83 120.64 111.62 1cfp n GLU 39 Ca 0.05 0.05 -0.26 0.00 -0.16 0.00 0.00 57.16 56.84 1cfp n GLU 39 Cb 0.40 -1.18 -0.08 0.00 1.43 0.00 0.00 31.44 32.01 1cfp n GLU 39 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1cfp n LEU 40 N -2.72 2.60 -0.40 -1.84 4.32 0.78 -4.92 117.00 114.82 1cfp n LEU 40 Ca -0.16 -5.19 0.38 0.00 -0.02 0.00 0.00 56.01 51.02 1cfp n LEU 40 Cb 0.68 -0.26 0.60 0.00 -1.62 0.00 0.00 43.42 42.82 1cfp n LEU 40 CO 0.10 2.05 1.35 0.28 -1.22 0.00 0.00 177.39 179.94 1cfp h SER 41 N 4.20 0.00 -1.17 -1.43 0.02 -1.66 0.82 113.55 114.32 1cfp h SER 41 Ca 0.16 0.00 0.34 0.00 -0.84 0.00 0.00 61.79 61.45 1cfp h SER 41 Cb 0.73 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.22 1cfp h SER 41 CO 0.71 0.00 0.84 0.45 -1.14 0.00 0.00 176.83 177.69 1cfp h HIS 42 N 0.00 0.03 0.00 3.45 3.86 -1.90 2.34 115.15 122.94 1cfp h HIS 42 Ca 0.66 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.87 1cfp h HIS 42 Cb 3.20 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 31.66 1cfp h HIS 42 CO 0.00 0.00 0.00 0.74 0.86 0.00 0.00 177.93 179.53 1cfp h PHE 43 N 0.02 0.00 -0.83 2.45 0.04 0.35 -1.46 116.94 117.51 1cfp h PHE 43 Ca 0.56 0.00 0.14 0.00 2.80 0.00 0.00 57.97 61.47 1cfp h PHE 43 Cb 2.22 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 40.28 1cfp h PHE 43 CO -0.00 0.00 0.42 1.25 -0.60 0.00 0.00 178.31 179.38 1cfp h LEU 44 N 0.00 0.51 0.00 1.54 5.85 0.38 0.78 115.31 124.37 1cfp h LEU 44 Ca 0.00 0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.72 1cfp h LEU 44 Cb 0.80 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 1cfp h LEU 44 CO 0.00 0.22 -1.32 1.21 -0.34 0.00 0.00 178.44 178.21 1cfp n GLU 45 N -4.88 0.62 0.00 1.25 4.07 -1.17 -4.94 120.64 115.60 1cfp n GLU 45 Ca 0.16 0.14 0.00 0.00 -0.06 0.00 0.00 57.16 57.40 1cfp n GLU 45 Cb 0.41 -1.78 0.00 0.00 -0.06 0.00 0.00 31.44 30.01 1cfp n GLU 45 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1cfp n GLU 46 N -2.74 0.00 -0.65 5.31 2.13 0.27 -4.38 120.64 120.57 1cfp n GLU 46 Ca -0.06 0.00 0.50 0.00 0.66 0.00 0.00 57.16 58.26 1cfp n GLU 46 Cb 0.71 0.00 0.80 0.00 0.27 0.00 0.00 31.44 33.22 1cfp n GLU 46 CO 0.00 0.00 0.00 0.97 -0.41 0.00 0.00 177.13 177.69 1cfp h ILE 47 N 0.00 0.05 -0.16 6.31 6.09 -1.87 0.44 117.51 128.36 1cfp h ILE 47 Ca 0.00 -0.00 0.05 0.00 -1.37 0.00 0.00 64.86 63.53 1cfp h ILE 47 Cb 0.00 0.04 -0.01 0.00 0.47 0.00 0.00 36.82 37.33 1cfp h ILE 47 CO 0.00 0.00 0.70 0.11 -3.07 0.00 0.00 178.15 175.89 1cfp h LYS 48 N 0.00 0.00 -1.43 2.19 1.79 -1.76 -3.29 116.57 114.07 1cfp h LYS 48 Ca 0.90 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 59.26 1cfp h LYS 48 Cb 3.54 0.00 -0.25 0.00 -1.58 0.00 0.00 32.23 33.93 1cfp h LYS 48 CO -0.06 0.00 -0.48 -1.83 -1.08 0.00 0.00 179.45 176.00 1cfp s GLU 49 N -4.15 0.49 -0.01 3.15 -1.05 0.15 -5.06 118.70 112.22 1cfp s GLU 49 Ca -0.02 0.25 -0.11 0.00 -0.15 0.00 0.00 54.97 54.94 1cfp s GLU 49 Cb 0.07 -0.09 -0.06 0.00 -0.44 0.00 0.00 34.13 33.60 1cfp s GLU 49 CO 0.22 -1.05 0.69 1.96 0.95 0.00 0.00 175.26 178.03 1cfp h GLN 50 N 8.05 -0.38 -0.89 -4.83 4.20 -1.75 -0.54 115.11 118.97 1cfp h GLN 50 Ca -0.05 0.03 0.23 0.00 0.06 0.00 0.00 58.65 58.92 1cfp h GLN 50 Cb 1.15 0.09 -0.17 0.00 0.30 0.00 0.00 27.48 28.85 1cfp h GLN 50 CO 0.22 -0.25 -0.03 -1.91 -0.67 0.00 0.00 178.83 176.18 1cfp n GLU 51 N -3.78 -0.07 -0.01 1.46 2.13 -1.26 0.70 120.64 119.81 1cfp n GLU 51 Ca -0.05 1.34 -0.17 0.00 0.66 0.00 0.00 57.16 58.94 1cfp n GLU 51 Cb 0.16 -2.10 -0.10 0.00 0.27 0.00 0.00 31.44 29.66 1cfp n GLU 51 CO 0.00 0.00 0.00 -0.24 -0.41 0.00 0.00 177.13 176.48 1cfp h VAL 52 N 0.00 1.41 -1.15 6.31 3.04 -1.96 -2.47 116.25 121.43 1cfp h VAL 52 Ca 0.52 -1.98 0.33 0.00 -1.01 0.00 0.00 66.70 64.55 1cfp h VAL 52 Cb 1.02 2.46 -0.06 0.00 -2.01 0.00 0.00 31.29 32.70 1cfp h VAL 52 CO -0.85 0.58 0.80 0.58 -1.01 0.00 0.00 177.57 177.68 1cfp h VAL 53 N -0.03 0.43 -0.21 1.51 2.07 0.20 2.42 116.25 122.63 1cfp h VAL 53 Ca -0.06 -0.04 -0.12 0.00 0.82 0.00 0.00 66.70 67.30 1cfp h VAL 53 Cb 1.25 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1cfp h VAL 53 CO 0.11 0.02 -0.35 -0.78 0.02 0.00 0.00 177.57 176.59 1cfp h ASP 54 N 0.10 0.68 0.26 0.57 3.58 -0.26 -2.75 116.42 118.61 1cfp h ASP 54 Ca 0.58 -0.53 -0.01 0.00 0.42 0.00 0.00 57.03 57.49 1cfp h ASP 54 Cb 2.08 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 42.94 1cfp h ASP 54 CO -0.09 1.08 -0.12 0.11 -2.88 0.00 0.00 179.24 177.33 1cfp h LYS 55 N 0.30 -0.33 -0.70 0.28 6.56 0.37 -1.82 116.57 121.23 1cfp h LYS 55 Ca 0.02 0.02 0.15 0.00 -1.06 0.00 0.00 60.65 59.78 1cfp h LYS 55 Cb 0.94 0.08 -0.13 0.00 -0.57 0.00 0.00 32.23 32.54 1cfp h LYS 55 CO 0.08 -0.22 -0.12 0.28 -2.06 0.00 0.00 179.45 177.41 1cfp n VAL 56 N -4.35 -0.29 0.10 0.50 0.31 0.56 0.26 118.33 115.42 1cfp n VAL 56 Ca -0.04 1.58 -0.04 0.00 -0.01 0.00 0.00 64.34 65.83 1cfp n VAL 56 Cb 0.14 -2.22 0.01 0.00 -0.91 0.00 0.00 33.84 30.86 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 0.00 -0.80 5.55 2.86 -1.56 -2.56 114.93 118.42 1cfp h MET 57 Ca 0.36 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 58.11 1cfp h MET 57 Cb 0.61 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.21 1cfp h MET 57 CO -0.70 0.80 0.52 1.05 1.06 0.00 0.00 176.91 179.64 1cfp h GLU 58 N 0.00 0.65 0.08 1.72 -0.00 0.44 1.01 114.58 118.47 1cfp h GLU 58 Ca -0.01 -0.04 -0.33 0.00 -0.00 0.00 0.00 59.36 58.98 1cfp h GLU 58 Cb 1.47 -0.15 -0.03 0.00 -0.00 0.00 0.00 28.75 30.04 1cfp h GLU 58 CO 0.10 0.43 -1.84 2.41 -0.00 0.00 0.00 179.01 180.11 1cfp n THR 59 N -4.51 1.69 0.35 -1.06 -1.04 -0.98 -4.09 114.28 104.63 1cfp n THR 59 Ca 0.14 -0.46 0.14 0.00 -2.04 0.00 0.00 64.05 61.83 1cfp n THR 59 Cb 0.38 -1.81 0.55 0.00 -1.82 0.00 0.00 70.33 67.63 1cfp n THR 59 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1cfp h LEU 60 N -0.28 0.00 0.00 -4.42 5.85 -1.23 -2.77 115.31 112.45 1cfp h LEU 60 Ca -0.42 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.30 1cfp h LEU 60 Cb 1.80 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.83 1cfp h LEU 60 CO -0.03 0.00 0.00 -0.67 -0.34 0.00 0.00 178.44 177.40 1cfp n ASP 61 N -2.66 0.00 -0.07 1.25 -0.08 0.35 -3.01 116.55 112.32 1cfp n ASP 61 Ca 0.02 0.36 0.25 0.00 -1.51 0.00 0.00 54.79 53.91 1cfp n ASP 61 Cb 0.30 -0.43 0.65 0.00 2.34 0.00 0.00 41.12 43.98 1cfp n ASP 61 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 1cfp h SER 62 N 0.00 0.00 -5.48 1.67 4.64 -1.71 -3.45 113.55 109.22 1cfp h SER 62 Ca 0.00 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.03 1cfp h SER 62 Cb 0.22 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1cfp h SER 62 CO 0.00 0.00 -0.76 -0.67 -0.87 0.00 0.00 176.83 174.53 1cfp n ASP 63 N -3.61 -3.32 0.00 4.97 2.03 -1.17 -4.03 116.55 111.42 1cfp n ASP 63 Ca 0.15 -0.35 0.00 0.00 0.52 0.00 0.00 54.79 55.11 1cfp n ASP 63 Cb 1.00 -1.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.38 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 -0.62 1.19 1.88 0.27 0.00 -1.26 -4.90 105.19 101.76 1cfp n GLY 64 Ca -0.13 -0.37 -0.09 0.00 0.00 0.00 0.00 46.02 45.43 1cfp n GLY 64 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cfp n ASP 65 N 0.00 5.37 -2.71 1.61 9.92 -1.26 -3.92 116.55 125.56 1cfp n ASP 65 Ca 0.00 -2.51 -0.07 0.00 -0.53 0.00 0.00 54.79 51.68 1cfp n ASP 65 Cb 0.00 -1.32 0.10 0.00 -0.64 0.00 0.00 41.12 39.26 1cfp n ASP 65 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1cfp n GLY 66 N 2.07 0.02 3.80 0.44 0.00 -1.26 -5.00 105.19 105.27 1cfp n GLY 66 Ca 0.31 0.25 -0.25 0.00 0.00 0.00 0.00 46.02 46.32 1cfp n GLY 66 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1cfp n GLU 67 N 0.32 -0.54 -2.29 1.61 0.28 -1.25 -4.31 120.64 114.46 1cfp n GLU 67 Ca 0.01 -2.43 -0.41 0.00 -0.16 0.00 0.00 57.16 54.17 1cfp n GLU 67 Cb 0.72 -0.91 0.00 0.00 1.43 0.00 0.00 31.44 32.69 1cfp n GLU 67 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1cfp s ASP 69 N -0.21 5.16 0.00 0.00 1.11 -1.23 -1.63 116.67 119.87 1cfp s ASP 69 Ca 0.46 0.58 0.00 0.00 0.18 0.00 0.00 52.55 53.78 1cfp s ASP 69 Cb 0.16 -1.38 0.00 0.00 1.07 0.00 0.00 42.92 42.78 1cfp s ASP 69 CO -0.08 -1.37 0.25 0.49 1.18 0.00 0.00 175.17 175.65 1cfp n PHE 70 N -2.78 0.00 0.22 4.23 3.72 -1.26 0.30 117.46 121.89 1cfp n PHE 70 Ca 0.07 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.59 1cfp n PHE 70 Cb 0.59 -0.04 0.66 0.00 -0.94 0.00 0.00 39.48 39.76 1cfp n PHE 70 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 1cfp h GLN 71 N 0.00 0.00 0.00 -1.08 -0.00 -1.98 -2.37 115.11 109.67 1cfp h GLN 71 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.64 1cfp h GLN 71 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.48 1cfp h GLN 71 CO 0.00 0.00 -0.05 0.93 -0.00 0.00 0.00 178.83 179.71 1cfp h GLU 72 N 0.00 0.00 -0.19 0.06 5.08 0.43 -1.58 114.58 118.37 1cfp h GLU 72 Ca 0.00 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1cfp h GLU 72 Cb 0.31 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.49 1cfp h GLU 72 CO 0.00 0.78 -0.44 0.35 -1.00 0.00 0.00 179.01 178.70 1cfp h PHE 73 N -1.00 -1.29 0.00 4.33 3.57 -0.06 0.36 116.94 122.85 1cfp h PHE 73 Ca -0.01 0.06 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 1cfp h PHE 73 Cb 0.80 0.59 -0.01 0.00 2.79 0.00 0.00 35.95 40.12 1cfp h PHE 73 CO 0.21 -0.48 -0.22 0.52 -2.23 0.00 0.00 178.31 176.11 1cfp h MET 74 N -0.47 0.00 0.00 1.11 2.86 -1.69 -0.86 114.93 115.87 1cfp h MET 74 Ca 0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1cfp h MET 74 Cb 0.63 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.29 1cfp h MET 74 CO -0.44 0.22 0.00 0.00 1.06 0.00 0.00 176.91 177.75 1cfp n ALA 75 N -2.43 -0.22 0.05 6.32 0.00 0.91 -2.11 120.51 123.02 1cfp n ALA 75 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.31 1cfp n ALA 75 Cb 0.30 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.69 1cfp n ALA 75 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1cfp h PHE 76 N 0.00 -0.21 -1.01 0.00 3.57 -0.64 0.89 116.94 119.54 1cfp h PHE 76 Ca 0.00 0.01 0.32 0.00 3.53 0.00 0.00 57.97 61.83 1cfp h PHE 76 Cb 0.00 0.10 -0.15 0.00 2.79 0.00 0.00 35.95 38.69 1cfp h PHE 76 CO 0.10 -0.13 0.57 -0.24 -2.23 0.00 0.00 178.31 176.38 1cfp h VAL 77 N -0.15 0.31 -0.24 1.41 3.04 -1.29 1.60 116.25 120.93 1cfp h VAL 77 Ca 0.03 -0.12 -0.08 0.00 -1.01 0.00 0.00 66.70 65.53 1cfp h VAL 77 Cb 0.19 -0.06 -0.01 0.00 -2.01 0.00 0.00 31.29 29.41 1cfp h VAL 77 CO -0.09 0.06 -0.17 0.00 -1.01 0.00 0.00 177.57 176.36 1cfp h ALA 78 N 1.84 0.35 -0.84 3.17 0.00 -0.60 0.26 119.26 123.43 1cfp h ALA 78 Ca 0.73 -0.34 0.10 0.00 0.00 0.00 0.00 54.91 55.41 1cfp h ALA 78 Cb 1.66 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 19.30 1cfp h ALA 78 CO -0.60 0.25 0.48 1.98 0.00 0.00 0.00 179.25 181.37 1cfp h MET 79 N 0.26 0.77 0.44 0.00 -1.53 0.44 -0.50 114.93 114.80 1cfp h MET 79 Ca 0.05 -0.05 -0.02 0.00 -3.44 0.00 0.00 59.70 56.24 1cfp h MET 79 Cb 0.70 -0.17 0.00 0.00 -0.55 0.00 0.00 31.60 31.58 1cfp h MET 79 CO 0.05 0.51 -0.21 0.82 0.14 0.00 0.00 176.91 178.21 1cfp h ILE 80 N 0.79 0.38 -1.07 1.77 1.08 0.07 -2.74 117.51 117.79 1cfp h ILE 80 Ca 0.41 -0.56 0.31 0.00 -0.39 0.00 0.00 64.86 64.64 1cfp h ILE 80 Cb 0.41 0.56 -0.04 0.00 -3.07 0.00 0.00 36.82 34.67 1cfp h ILE 80 CO -0.26 0.07 1.15 0.74 -0.69 0.00 0.00 178.15 179.16 1cfp h THR 81 N -0.99 0.05 0.00 -0.27 2.02 0.24 2.19 112.91 116.15 1cfp h THR 81 Ca -0.06 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1cfp h THR 81 Cb 0.56 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 1cfp h THR 81 CO 0.10 0.00 0.00 0.35 0.37 0.00 0.00 175.52 176.34 1cfp n THR 82 N -3.39 0.28 0.34 3.16 -2.24 -0.26 -2.37 114.28 109.80 1cfp n THR 82 Ca 0.24 0.07 0.14 0.00 -2.27 0.00 0.00 64.05 62.23 1cfp n THR 82 Cb 1.47 -0.78 0.60 0.00 -2.10 0.00 0.00 70.33 69.52 1cfp n THR 82 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cfp h ALA 83 N 2.96 1.00 0.00 6.98 0.00 0.35 -2.06 119.26 128.49 1cfp h ALA 83 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1cfp h ALA 83 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1cfp h ALA 83 CO 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 179.25 178.77 1cfp n HIS 85 N -2.22 -0.48 0.00 0.00 8.25 -0.77 -4.70 115.22 115.30 1cfp n HIS 85 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 1cfp n HIS 85 Cb 0.45 0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.66 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 0.00 0.00 -0.05 -0.41 0.00 -1.26 -3.46 120.64 115.46 1cfp n GLU 86 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 57.16 57.10 1cfp n GLU 86 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 31.44 31.37 1cfp n GLU 86 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.13 179.10 1cfp n PHE 87 N 0.00 0.00 0.88 4.31 1.16 -1.26 -4.57 117.46 117.98 1cfp n PHE 87 Ca 0.00 0.00 0.10 0.00 -1.87 0.00 0.00 57.45 55.68 1cfp n PHE 87 Cb 0.00 -0.48 -0.03 0.00 -1.61 0.00 0.00 39.48 37.36 1cfp n PHE 87 CO 0.00 0.00 0.00 1.19 -1.87 0.00 0.00 176.76 176.08 1cfp n PHE 88 N -2.49 0.00 -0.35 2.97 3.72 -1.22 -5.00 117.46 115.09 1cfp n PHE 88 Ca -0.17 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.09 1cfp n PHE 88 Cb 0.80 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.30 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 -0.41 0.00 -1.11 -1.08 2.13 -1.26 -4.80 120.64 114.12 1cfp n GLU 89 Ca 0.07 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.55 1cfp n GLU 89 Cb 0.39 -0.39 0.12 0.00 0.27 0.00 0.00 31.44 31.83 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 2.25 0.64 0.22 4.31 8.25 -1.26 -4.96 115.22 124.67 1cfp n HIS 90 Ca 0.15 0.38 0.02 0.00 -0.26 0.00 0.00 57.72 58.01 1cfp n HIS 90 Cb -0.00 -2.04 0.11 0.00 1.12 0.00 0.00 29.99 29.17 1cfp n HIS 90 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37