#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 -0.53 3.17 4.64 -2.05 -2.85 113.55 115.93 1cfp h SER 1 Ca 0.00 0.00 0.21 0.00 -0.47 0.00 0.00 61.79 61.53 1cfp h SER 1 Cb 0.00 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.01 1cfp h SER 1 CO 0.00 0.00 0.30 -0.62 -0.87 0.00 0.00 176.83 175.64 1cfp n GLU 2 N -2.75 -0.03 -0.00 4.77 1.02 -1.26 0.21 120.64 122.60 1cfp n GLU 2 Ca 0.03 0.66 -0.17 0.00 -0.02 0.00 0.00 57.16 57.66 1cfp n GLU 2 Cb 0.94 -1.20 -0.12 0.00 -0.02 0.00 0.00 31.44 31.03 1cfp n GLU 2 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1cfp h LEU 3 N 0.00 0.36 -0.15 -4.62 7.12 -1.91 0.41 115.31 116.52 1cfp h LEU 3 Ca 0.42 -0.83 0.02 0.00 0.13 0.00 0.00 57.88 57.62 1cfp h LEU 3 Cb 1.16 -0.11 -0.02 0.00 -0.53 0.00 0.00 40.66 41.16 1cfp h LEU 3 CO -0.34 1.15 0.03 -0.08 -0.13 0.00 0.00 178.44 179.07 1cfp h GLU 4 N -0.38 0.09 -0.57 1.25 4.57 0.22 1.82 114.58 121.59 1cfp h GLU 4 Ca -0.07 -0.01 -0.11 0.00 -1.18 0.00 0.00 59.36 58.00 1cfp h GLU 4 Cb 1.25 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.80 1cfp h GLU 4 CO 0.09 0.06 -0.06 0.87 -1.18 0.00 0.00 179.01 178.79 1cfp h LYS 5 N 0.09 1.04 -0.45 1.92 1.57 -1.15 -0.48 116.57 119.11 1cfp h LYS 5 Ca 0.07 -0.36 -0.05 0.00 -1.87 0.00 0.00 60.65 58.44 1cfp h LYS 5 Cb 0.06 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1cfp h LYS 5 CO -0.09 1.05 0.09 0.00 -0.57 0.00 0.00 179.45 179.93 1cfp h ALA 6 N 0.98 1.31 0.14 3.86 0.00 0.74 -2.41 119.26 123.87 1cfp h ALA 6 Ca 0.15 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1cfp h ALA 6 Cb 0.63 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1cfp h ALA 6 CO 0.04 0.48 -0.07 -0.24 0.00 0.00 0.00 179.25 179.47 1cfp h VAL 7 N 0.66 0.93 -0.99 0.00 3.04 0.37 -1.68 116.25 118.57 1cfp h VAL 7 Ca 0.15 -0.25 0.31 0.00 -1.01 0.00 0.00 66.70 65.90 1cfp h VAL 7 Cb 0.28 1.09 -0.15 0.00 -2.01 0.00 0.00 31.29 30.50 1cfp h VAL 7 CO 0.00 0.06 0.54 0.58 -1.01 0.00 0.00 177.57 177.74 1cfp h VAL 8 N -0.30 0.31 -0.05 1.51 2.07 -0.64 0.54 116.25 119.68 1cfp h VAL 8 Ca -0.02 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1cfp h VAL 8 Cb 0.24 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 29.96 1cfp h VAL 8 CO 0.03 0.06 0.03 0.00 0.02 0.00 0.00 177.57 177.71 1cfp h ALA 9 N 1.84 0.06 -0.34 1.67 0.00 -0.95 -2.71 119.26 118.83 1cfp h ALA 9 Ca 0.72 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.61 1cfp h ALA 9 Cb 1.62 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.37 1cfp h ALA 9 CO -0.61 -0.44 0.18 -0.07 0.00 0.00 0.00 179.25 178.32 1cfp h LEU 10 N 0.06 0.43 -1.30 0.00 3.38 0.45 -1.15 115.31 117.17 1cfp h LEU 10 Ca 0.02 -0.10 0.29 0.00 0.09 0.00 0.00 57.88 58.19 1cfp h LEU 10 Cb 0.00 -0.11 -0.11 0.00 0.09 0.00 0.00 40.66 40.53 1cfp h LEU 10 CO -0.00 0.40 0.68 0.16 0.09 0.00 0.00 178.44 179.77 1cfp h ILE 11 N 0.42 0.45 -0.22 1.22 -0.00 -0.93 2.25 117.51 120.70 1cfp h ILE 11 Ca 0.12 -0.12 -0.14 0.00 -0.00 0.00 0.00 64.86 64.72 1cfp h ILE 11 Cb 0.07 0.05 -0.01 0.00 -0.00 0.00 0.00 36.82 36.94 1cfp h ILE 11 CO -0.02 0.07 -0.44 -0.78 -0.00 0.00 0.00 178.15 176.98 1cfp h ASP 12 N 0.36 0.57 0.41 2.16 1.82 -0.93 -2.84 116.42 117.97 1cfp h ASP 12 Ca 0.64 -0.27 -0.02 0.00 -0.39 0.00 0.00 57.03 57.00 1cfp h ASP 12 Cb 1.65 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 41.50 1cfp h ASP 12 CO -0.36 0.94 -0.20 0.58 -1.61 0.00 0.00 179.24 178.59 1cfp h VAL 13 N 0.44 0.60 -0.47 2.25 2.07 0.46 -2.69 116.25 118.90 1cfp h VAL 13 Ca 0.03 -0.10 0.09 0.00 0.82 0.00 0.00 66.70 67.54 1cfp h VAL 13 Cb 0.94 0.65 -0.10 0.00 -1.52 0.00 0.00 31.29 31.26 1cfp h VAL 13 CO 0.08 0.02 -0.30 -0.26 0.02 0.00 0.00 177.57 177.14 1cfp h PHE 14 N -0.61 -0.80 -0.93 1.57 0.04 -0.97 0.38 116.94 115.63 1cfp h PHE 14 Ca -0.06 0.06 0.16 0.00 2.80 0.00 0.00 57.97 60.94 1cfp h PHE 14 Cb 0.46 0.42 -0.16 0.00 2.20 0.00 0.00 35.95 38.87 1cfp h PHE 14 CO -0.03 -0.36 -0.29 1.58 -0.60 0.00 0.00 178.31 178.60 1cfp n HIS 15 N -5.42 0.18 0.02 -0.55 -0.00 -1.04 0.12 115.22 108.54 1cfp n HIS 15 Ca 0.03 1.14 -0.01 0.00 -0.00 0.00 0.00 57.72 58.87 1cfp n HIS 15 Cb 0.34 -0.94 -0.00 0.00 -0.00 0.00 0.00 29.99 29.38 1cfp n HIS 15 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.34 178.30 1cfp h GLN 16 N 0.00 -0.05 0.00 1.57 4.20 -0.51 -0.48 115.11 119.84 1cfp h GLN 16 Ca 0.38 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.10 1cfp h GLN 16 Cb 0.62 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.41 1cfp h GLN 16 CO -0.94 -0.04 0.00 0.66 -0.67 0.00 0.00 178.83 177.85 1cfp n TYR 17 N -2.28 0.00 1.08 2.96 4.01 0.11 0.27 117.16 123.30 1cfp n TYR 17 Ca -0.01 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.81 1cfp n TYR 17 Cb 0.02 -0.47 0.47 0.00 -0.31 0.00 0.00 39.34 39.06 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 -2.86 0.00 -2.74 7.72 7.64 0.33 -3.42 113.62 120.29 1cfp n SER 18 Ca 0.00 -0.58 -0.03 0.00 1.01 0.00 0.00 58.87 59.27 1cfp n SER 18 Cb 0.00 0.00 0.08 0.00 -1.01 0.00 0.00 64.21 63.28 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 0.07 1.75 0.00 0.23 0.00 0.24 -0.79 105.19 106.69 1cfp n GLY 19 Ca 0.12 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.77 -0.38 0.00 1.61 1.85 0.78 -4.55 116.66 115.19 1cfp n ARG 20 Ca -0.01 -0.59 0.00 0.00 -1.00 0.00 0.00 57.85 56.25 1cfp n ARG 20 Cb 0.83 -0.95 0.00 0.00 -1.05 0.00 0.00 32.46 31.29 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 -0.07 0.00 -2.85 2.89 4.07 -1.26 -5.04 120.64 118.38 1cfp n GLU 21 Ca 0.00 0.00 -0.11 0.00 -0.06 0.00 0.00 57.16 56.99 1cfp n GLU 21 Cb 0.06 0.00 0.06 0.00 -0.06 0.00 0.00 31.44 31.50 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 1.04 1.56 3.17 8.31 0.00 -1.26 -5.13 105.19 112.88 1cfp n GLY 22 Ca 0.00 -0.54 -0.12 0.00 0.00 0.00 0.00 46.02 45.36 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 0.21 -1.43 0.00 1.61 8.00 -1.26 -5.07 116.55 118.61 1cfp n ASP 23 Ca 0.10 -2.68 0.00 0.00 0.71 0.00 0.00 54.79 52.92 1cfp n ASP 23 Cb 0.71 2.59 0.00 0.00 -0.02 0.00 0.00 41.12 44.40 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 -0.52 0.00 -2.96 -1.24 4.76 0.03 -4.27 118.16 113.96 1cfp n LYS 24 Ca -0.01 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.20 1cfp n LYS 24 Cb 0.54 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.70 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 2.37 -3.69 2.13 8.25 -1.25 -3.43 115.22 119.60 1cfp n HIS 25 Ca 0.00 -3.74 -0.13 0.00 -0.26 0.00 0.00 57.72 53.59 1cfp n HIS 25 Cb 0.00 -0.41 -0.07 0.00 1.12 0.00 0.00 29.99 30.63 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 -3.08 0.84 0.17 -0.41 2.36 -1.26 -4.28 119.74 114.08 1cfp s LYS 26 Ca 0.44 -0.25 0.11 0.00 -2.55 0.00 0.00 55.97 53.72 1cfp s LYS 26 Cb 0.33 0.38 -0.04 0.00 -1.05 0.00 0.00 37.83 37.45 1cfp s LYS 26 CO -0.11 -0.27 -0.25 -1.17 1.55 0.00 0.00 175.35 175.11 1cfp s LEU 27 N -1.68 2.40 0.35 5.43 0.20 0.51 -4.36 118.68 121.53 1cfp s LEU 27 Ca -0.09 -0.82 0.09 0.00 0.69 0.00 0.00 54.13 54.00 1cfp s LEU 27 Cb -0.02 -1.19 -0.06 0.00 -0.43 0.00 0.00 46.19 44.49 1cfp s LEU 27 CO 0.01 0.14 0.00 -0.54 -0.29 0.00 0.00 176.35 175.67 1cfp s LYS 28 N -2.46 2.03 0.28 1.98 1.02 -1.26 0.16 119.74 121.49 1cfp s LYS 28 Ca 0.18 -1.80 0.00 0.00 0.02 0.00 0.00 55.97 54.37 1cfp s LYS 28 Cb -0.09 -1.88 0.64 0.00 -0.52 0.00 0.00 37.83 35.99 1cfp s LYS 28 CO 0.09 0.12 1.66 0.87 -0.92 0.00 0.00 175.35 177.16 1cfp h LYS 29 N 1.83 0.22 -0.02 1.68 1.57 -1.91 0.52 116.57 120.46 1cfp h LYS 29 Ca -0.43 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.33 1cfp h LYS 29 Cb 1.25 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.51 1cfp h LYS 29 CO 0.68 0.14 -0.01 0.77 -0.57 0.00 0.00 179.45 180.46 1cfp h SER 30 N 0.22 0.05 -0.81 0.86 0.02 -1.98 -2.64 113.55 109.26 1cfp h SER 30 Ca 0.52 -0.45 0.04 0.00 -0.84 0.00 0.00 61.79 61.05 1cfp h SER 30 Cb 1.00 -0.01 -0.05 0.00 0.14 0.00 0.00 62.40 63.47 1cfp h SER 30 CO -0.62 0.49 0.51 -0.33 -1.14 0.00 0.00 176.83 175.74 1cfp h GLU 31 N -0.40 0.94 -0.08 3.45 5.08 -1.58 -2.18 114.58 119.81 1cfp h GLU 31 Ca 0.00 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.35 1cfp h GLU 31 Cb 0.48 -0.21 -0.05 0.00 0.50 0.00 0.00 28.75 29.46 1cfp h GLU 31 CO 0.00 0.62 -0.22 1.25 -1.00 0.00 0.00 179.01 179.66 1cfp h LEU 32 N 0.97 -0.68 -0.49 1.33 6.46 0.03 -1.67 115.31 121.25 1cfp h LEU 32 Ca 0.33 0.11 0.07 0.00 -0.12 0.00 0.00 57.88 58.27 1cfp h LEU 32 Cb 0.07 0.30 -0.09 0.00 -0.73 0.00 0.00 40.66 40.20 1cfp h LEU 32 CO -0.13 -0.28 -0.50 0.50 -0.62 0.00 0.00 178.44 177.40 1cfp h LYS 33 N -0.31 -0.30 -0.94 1.25 1.63 -1.02 0.94 116.57 117.82 1cfp h LYS 33 Ca 0.09 0.02 0.28 0.00 -0.85 0.00 0.00 60.65 60.18 1cfp h LYS 33 Cb 0.43 0.07 -0.15 0.00 -0.60 0.00 0.00 32.23 31.99 1cfp h LYS 33 CO -0.26 -0.20 0.38 1.49 -3.45 0.00 0.00 179.45 177.41 1cfp h GLU 34 N -0.31 0.25 -0.96 1.90 4.57 -1.15 1.03 114.58 119.90 1cfp h GLU 34 Ca 0.12 -0.01 0.15 0.00 -1.18 0.00 0.00 59.36 58.44 1cfp h GLU 34 Cb 0.58 -0.06 -0.08 0.00 -0.16 0.00 0.00 28.75 29.03 1cfp h GLU 34 CO -0.64 0.16 0.61 1.25 -1.18 0.00 0.00 179.01 179.21 1cfp h LEU 35 N 0.26 0.75 0.00 1.64 6.46 0.18 0.19 115.31 124.79 1cfp h LEU 35 Ca 0.64 0.06 -0.26 0.00 -0.12 0.00 0.00 57.88 58.20 1cfp h LEU 35 Cb 1.38 -0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 41.18 1cfp h LEU 35 CO -0.64 0.36 -1.41 -0.38 -0.62 0.00 0.00 178.44 175.74 1cfp n ILE 36 N -4.62 1.53 -0.16 4.05 2.08 0.31 -3.06 119.36 119.48 1cfp n ILE 36 Ca 0.20 -0.07 0.22 0.00 0.56 0.00 0.00 62.75 63.66 1cfp n ILE 36 Cb 0.48 -2.03 0.62 0.00 -0.75 0.00 0.00 39.64 37.95 1cfp n ILE 36 CO 0.00 0.00 0.00 0.78 0.56 0.00 0.00 176.55 177.89 1cfp h ASN 37 N -1.00 0.19 0.00 4.38 4.21 0.07 2.28 115.58 125.71 1cfp h ASN 37 Ca -0.39 0.02 -0.04 0.00 1.21 0.00 0.00 56.30 57.10 1cfp h ASN 37 Cb 1.32 -0.02 -0.01 0.00 -1.12 0.00 0.00 38.32 38.50 1cfp h ASN 37 CO -0.23 0.08 -0.65 0.59 -1.29 0.00 0.00 177.43 175.92 1cfp n ASN 38 N -4.40 1.82 -0.04 5.81 3.02 0.66 -3.02 115.26 119.11 1cfp n ASN 38 Ca 0.17 0.60 -0.13 0.00 -0.03 0.00 0.00 54.58 55.19 1cfp n ASN 38 Cb 0.75 -0.88 -0.07 0.00 -0.61 0.00 0.00 39.78 38.96 1cfp n ASN 38 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1cfp h GLU 39 N -1.00 0.24 -2.04 3.52 5.08 -1.47 -3.21 114.58 115.71 1cfp h GLU 39 Ca -0.06 -0.11 -0.76 0.00 -1.00 0.00 0.00 59.36 57.43 1cfp h GLU 39 Cb 0.65 -0.01 -0.29 0.00 0.50 0.00 0.00 28.75 29.61 1cfp h GLU 39 CO -0.04 0.60 0.83 1.28 -1.00 0.00 0.00 179.01 180.68 1cfp n LEU 40 N -4.69 7.12 -0.49 1.33 4.32 0.77 -4.82 117.00 120.52 1cfp n LEU 40 Ca -0.06 -5.06 0.38 0.00 -0.02 0.00 0.00 56.01 51.24 1cfp n LEU 40 Cb 0.28 -1.02 0.58 0.00 -1.62 0.00 0.00 43.42 41.64 1cfp n LEU 40 CO 0.37 1.91 1.05 -0.24 -1.22 0.00 0.00 177.39 179.26 1cfp n SER 41 N -0.39 0.02 -0.48 -1.43 2.88 -0.97 0.27 113.62 113.52 1cfp n SER 41 Ca 0.50 0.75 0.41 0.00 -1.33 0.00 0.00 58.87 59.20 1cfp n SER 41 Cb 0.28 -0.37 0.74 0.00 -0.75 0.00 0.00 64.21 64.11 1cfp n SER 41 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 1cfp h HIS 42 N 0.00 0.13 0.00 0.66 6.17 -1.84 2.23 115.15 122.49 1cfp h HIS 42 Ca 0.67 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.76 1cfp h HIS 42 Cb 2.65 -0.03 0.00 0.00 2.52 0.00 0.00 27.41 32.55 1cfp h HIS 42 CO -0.00 -0.03 -0.20 0.74 0.71 0.00 0.00 177.93 179.15 1cfp h PHE 43 N 0.04 0.00 -1.05 5.26 0.04 -0.45 -3.00 116.94 117.79 1cfp h PHE 43 Ca 0.74 0.00 0.29 0.00 2.80 0.00 0.00 57.97 61.80 1cfp h PHE 43 Cb 2.79 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 40.88 1cfp h PHE 43 CO -0.00 0.00 0.73 1.25 -0.60 0.00 0.00 178.31 179.69 1cfp h LEU 44 N 0.00 0.15 0.02 1.54 5.85 0.36 0.89 115.31 124.12 1cfp h LEU 44 Ca 0.00 0.03 -0.31 0.00 0.84 0.00 0.00 57.88 58.44 1cfp h LEU 44 Cb 1.00 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.99 1cfp h LEU 44 CO 0.00 0.03 -1.77 -0.62 -0.34 0.00 0.00 178.44 175.74 1cfp n GLU 45 N -4.35 0.66 0.00 1.25 -0.58 -1.19 -4.93 120.64 111.50 1cfp n GLU 45 Ca 0.23 0.29 0.00 0.00 -0.42 0.00 0.00 57.16 57.26 1cfp n GLU 45 Cb 1.04 -1.77 0.00 0.00 -0.57 0.00 0.00 31.44 30.13 1cfp n GLU 45 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1cfp n GLU 46 N -3.12 0.00 -0.55 3.49 2.13 0.31 -4.17 120.64 118.74 1cfp n GLU 46 Ca -0.20 0.00 0.44 0.00 0.66 0.00 0.00 57.16 58.06 1cfp n GLU 46 Cb 1.05 0.00 0.68 0.00 0.27 0.00 0.00 31.44 33.44 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 0.00 0.00 0.31 6.31 0.13 -1.26 0.67 119.36 125.51 1cfp n ILE 47 Ca 0.00 1.35 0.11 0.00 -1.10 0.00 0.00 62.75 63.11 1cfp n ILE 47 Cb 0.00 -2.28 0.55 0.00 -0.84 0.00 0.00 39.64 37.07 1cfp n ILE 47 CO 0.00 0.00 0.00 0.11 2.80 0.00 0.00 176.55 179.46 1cfp h LYS 48 N 0.00 0.00 -1.60 9.51 1.79 -1.83 -3.29 116.57 121.15 1cfp h LYS 48 Ca 0.77 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 59.06 1cfp h LYS 48 Cb 3.36 0.00 -0.27 0.00 -1.58 0.00 0.00 32.23 33.74 1cfp h LYS 48 CO -0.01 0.00 -0.53 -1.83 -1.08 0.00 0.00 179.45 176.00 1cfp s GLU 49 N -4.10 0.50 0.03 3.15 -1.05 0.21 -5.03 118.70 112.41 1cfp s GLU 49 Ca -0.02 -0.01 -0.20 0.00 -0.15 0.00 0.00 54.97 54.58 1cfp s GLU 49 Cb 0.07 -0.27 -0.16 0.00 -0.44 0.00 0.00 34.13 33.32 1cfp s GLU 49 CO 0.21 -1.08 1.28 -0.56 0.95 0.00 0.00 175.26 176.06 1cfp h GLN 50 N 7.87 0.38 -0.24 -4.83 3.07 -1.76 -1.72 115.11 117.88 1cfp h GLN 50 Ca -0.05 -0.25 0.00 0.00 0.09 0.00 0.00 58.65 58.45 1cfp h GLN 50 Cb 1.12 0.03 -0.01 0.00 0.08 0.00 0.00 27.48 28.70 1cfp h GLN 50 CO 0.23 0.84 0.16 1.49 0.09 0.00 0.00 178.83 181.64 1cfp h GLU 51 N -0.04 0.32 0.01 0.06 4.81 -1.95 -0.36 114.58 117.42 1cfp h GLU 51 Ca 0.00 -0.02 -0.20 0.00 -0.13 0.00 0.00 59.36 59.02 1cfp h GLU 51 Cb 0.83 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 1cfp h GLU 51 CO 0.05 0.21 -0.88 0.28 -0.73 0.00 0.00 179.01 177.94 1cfp h VAL 52 N 0.33 1.50 -0.15 0.32 2.07 -1.81 -2.56 116.25 115.95 1cfp h VAL 52 Ca 0.09 -2.65 -0.03 0.00 0.82 0.00 0.00 66.70 64.93 1cfp h VAL 52 Cb -0.04 2.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 1cfp h VAL 52 CO -0.02 0.77 -0.05 0.58 0.02 0.00 0.00 177.57 178.87 1cfp h VAL 53 N 0.10 1.13 -0.37 2.57 2.07 -0.16 1.55 116.25 123.14 1cfp h VAL 53 Ca -0.04 -0.55 -0.06 0.00 0.82 0.00 0.00 66.70 66.86 1cfp h VAL 53 Cb 1.52 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 1cfp h VAL 53 CO 0.13 0.18 -0.02 -0.78 0.02 0.00 0.00 177.57 177.10 1cfp h ASP 54 N 0.22 0.66 0.05 0.57 3.58 -0.88 -1.94 116.42 118.68 1cfp h ASP 54 Ca 0.05 -0.32 -0.00 0.00 0.42 0.00 0.00 57.03 57.18 1cfp h ASP 54 Cb 0.24 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.11 1cfp h ASP 54 CO 0.01 0.82 -0.02 0.11 -2.88 0.00 0.00 179.24 177.28 1cfp h LYS 55 N 0.48 -0.06 -1.35 0.28 6.56 -0.78 -1.96 116.57 119.73 1cfp h LYS 55 Ca 0.10 0.00 0.42 0.00 -1.06 0.00 0.00 60.65 60.12 1cfp h LYS 55 Cb 0.49 0.01 -0.08 0.00 -0.57 0.00 0.00 32.23 32.08 1cfp h LYS 55 CO 0.02 -0.04 0.94 0.28 -2.06 0.00 0.00 179.45 178.59 1cfp n VAL 56 N -2.92 -0.09 0.01 0.50 0.31 0.52 0.22 118.33 116.87 1cfp n VAL 56 Ca -0.01 1.29 -0.14 0.00 -0.01 0.00 0.00 64.34 65.48 1cfp n VAL 56 Cb 0.02 -2.13 -0.14 0.00 -0.91 0.00 0.00 33.84 30.68 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 0.13 -0.07 5.55 2.86 -1.42 -2.45 114.93 119.53 1cfp h MET 57 Ca 0.72 -0.22 -0.09 0.00 -2.06 0.00 0.00 59.70 58.05 1cfp h MET 57 Cb 2.66 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 34.39 1cfp h MET 57 CO -0.17 0.86 -0.38 1.05 1.06 0.00 0.00 176.91 179.32 1cfp h GLU 58 N 0.04 0.16 0.12 1.72 -0.00 0.35 -1.75 114.58 115.21 1cfp h GLU 58 Ca -0.30 -0.07 -0.36 0.00 -0.00 0.00 0.00 59.36 58.64 1cfp h GLU 58 Cb 2.01 -0.01 -0.02 0.00 -0.00 0.00 0.00 28.75 30.74 1cfp h GLU 58 CO 0.10 0.52 -1.95 2.41 -0.00 0.00 0.00 179.01 180.09 1cfp n THR 59 N -4.06 1.78 0.33 -1.06 -1.04 -0.40 -3.72 114.28 106.12 1cfp n THR 59 Ca -0.01 -0.62 -0.17 0.00 -2.04 0.00 0.00 64.05 61.20 1cfp n THR 59 Cb 0.44 -1.76 -0.09 0.00 -1.82 0.00 0.00 70.33 67.11 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 0.01 -0.71 -0.76 -4.42 5.85 -1.45 2.03 115.31 115.87 1cfp h LEU 60 Ca -0.42 -0.01 0.17 0.00 0.84 0.00 0.00 57.88 58.46 1cfp h LEU 60 Cb 2.00 0.18 -0.12 0.00 0.37 0.00 0.00 40.66 43.09 1cfp h LEU 60 CO 0.07 -0.43 0.10 -0.78 -0.34 0.00 0.00 178.44 177.06 1cfp h ASP 61 N -0.95 -0.17 0.04 1.25 1.82 -1.52 0.52 116.42 117.42 1cfp h ASP 61 Ca -0.09 0.18 0.00 0.00 -0.39 0.00 0.00 57.03 56.73 1cfp h ASP 61 Cb 0.68 0.28 0.00 0.00 0.68 0.00 0.00 39.33 40.96 1cfp h ASP 61 CO 0.14 -0.12 -0.07 -1.54 -1.61 0.00 0.00 179.24 176.04 1cfp n SER 62 N -5.26 1.50 -4.51 2.28 3.41 -1.10 -4.07 113.62 105.87 1cfp n SER 62 Ca 0.15 -1.40 -0.30 0.00 -0.26 0.00 0.00 58.87 57.06 1cfp n SER 62 Cb 0.49 0.04 -0.17 0.00 -0.26 0.00 0.00 64.21 64.31 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 0.06 -0.20 -1.71 4.04 -0.08 0.69 0.12 116.55 119.47 1cfp n ASP 63 Ca 0.17 -0.35 -0.09 0.00 -1.51 0.00 0.00 54.79 53.01 1cfp n ASP 63 Cb 0.37 -0.87 -0.03 0.00 2.34 0.00 0.00 41.12 42.94 1cfp n ASP 63 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1cfp n GLY 64 N 6.05 0.33 3.07 0.27 0.00 -1.25 -2.72 105.19 110.93 1cfp n GLY 64 Ca 0.63 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.65 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 -0.66 -7.45 -1.59 1.61 2.03 0.32 -2.32 116.55 108.49 1cfp n ASP 65 Ca -0.09 0.96 -0.16 0.00 0.52 0.00 0.00 54.79 56.01 1cfp n ASP 65 Cb 0.40 -1.64 -0.06 0.00 -0.72 0.00 0.00 41.12 39.10 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 2.49 1.29 2.87 0.27 0.00 -1.22 -4.88 105.19 106.00 1cfp n GLY 66 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 1cfp n GLY 66 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1cfp s GLU 67 N -3.58 0.65 -0.96 1.61 2.12 -0.98 -4.69 118.70 112.86 1cfp s GLU 67 Ca 0.00 -0.62 -0.13 0.00 0.36 0.00 0.00 54.97 54.58 1cfp s GLU 67 Cb 0.00 -0.51 0.23 0.00 0.26 0.00 0.00 34.13 34.11 1cfp s GLU 67 CO 0.00 -1.17 0.95 0.00 -0.54 0.00 0.00 175.26 174.50 1cfp s ASP 69 N 1.99 3.97 0.00 0.00 1.11 -1.25 0.19 116.67 122.68 1cfp s ASP 69 Ca 0.25 -0.28 0.00 0.00 0.18 0.00 0.00 52.55 52.70 1cfp s ASP 69 Cb -0.09 0.02 0.00 0.00 1.07 0.00 0.00 42.92 43.92 1cfp s ASP 69 CO -0.08 -2.13 0.00 0.49 1.18 0.00 0.00 175.17 174.63 1cfp n PHE 70 N -3.08 0.00 0.10 4.23 3.72 -1.26 0.29 117.46 121.45 1cfp n PHE 70 Ca 0.16 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.62 1cfp n PHE 70 Cb 0.60 0.00 0.33 0.00 -0.94 0.00 0.00 39.48 39.47 1cfp n PHE 70 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1cfp n GLN 71 N -0.19 0.08 0.10 -1.08 10.64 -1.26 -1.53 117.38 124.14 1cfp n GLN 71 Ca 0.00 0.56 -0.19 0.00 -1.83 0.00 0.00 57.00 55.54 1cfp n GLN 71 Cb 0.00 -1.80 -0.12 0.00 -0.86 0.00 0.00 30.24 27.46 1cfp n GLN 71 CO 0.00 0.00 0.00 0.93 -1.83 0.00 0.00 177.06 176.16 1cfp h GLU 72 N 0.00 0.45 0.60 2.61 5.08 0.39 -1.96 114.58 121.76 1cfp h GLU 72 Ca 0.00 -0.66 -0.03 0.00 -1.00 0.00 0.00 59.36 57.67 1cfp h GLU 72 Cb 0.09 0.23 0.01 0.00 0.50 0.00 0.00 28.75 29.57 1cfp h GLU 72 CO 0.00 1.29 -0.29 0.35 -1.00 0.00 0.00 179.01 179.36 1cfp h PHE 73 N 0.17 -0.75 -0.55 4.33 3.57 -0.39 0.24 116.94 123.57 1cfp h PHE 73 Ca -0.17 -0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.43 1cfp h PHE 73 Cb 1.93 0.25 -0.03 0.00 2.79 0.00 0.00 35.95 40.89 1cfp h PHE 73 CO 0.09 -0.47 0.38 0.52 -2.23 0.00 0.00 178.31 176.60 1cfp h MET 74 N -0.96 0.23 0.46 1.11 2.86 -1.70 0.64 114.93 117.57 1cfp h MET 74 Ca -0.08 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.52 1cfp h MET 74 Cb 0.62 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.23 1cfp h MET 74 CO 0.14 0.15 -0.22 0.00 1.06 0.00 0.00 176.91 178.04 1cfp h ALA 75 N 1.73 -0.61 -0.06 6.32 0.00 -1.07 -2.79 119.26 122.78 1cfp h ALA 75 Ca 0.26 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 1cfp h ALA 75 Cb 0.70 0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.74 1cfp h ALA 75 CO -0.05 -0.66 -0.56 0.35 0.00 0.00 0.00 179.25 178.33 1cfp h PHE 76 N -0.98 0.68 -0.90 0.00 3.57 -0.14 -1.85 116.94 117.31 1cfp h PHE 76 Ca -0.06 -0.33 0.22 0.00 3.53 0.00 0.00 57.97 61.33 1cfp h PHE 76 Cb 0.58 -0.09 -0.12 0.00 2.79 0.00 0.00 35.95 39.10 1cfp h PHE 76 CO 0.02 1.12 0.41 -0.24 -2.23 0.00 0.00 178.31 177.39 1cfp h VAL 77 N 0.04 0.48 -0.09 1.41 3.04 0.17 0.85 116.25 122.15 1cfp h VAL 77 Ca -0.05 -0.14 -0.18 0.00 -1.01 0.00 0.00 66.70 65.32 1cfp h VAL 77 Cb 1.23 0.03 -0.01 0.00 -2.01 0.00 0.00 31.29 30.54 1cfp h VAL 77 CO 0.11 0.08 -0.69 0.00 -1.01 0.00 0.00 177.57 176.06 1cfp h ALA 78 N 1.71 0.63 -0.70 3.17 0.00 -1.44 -2.42 119.26 120.22 1cfp h ALA 78 Ca 0.57 -0.59 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1cfp h ALA 78 Cb 1.08 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1cfp h ALA 78 CO -0.52 0.75 0.28 1.98 0.00 0.00 0.00 179.25 181.73 1cfp h MET 79 N 0.29 1.03 0.36 0.00 -1.53 0.13 0.33 114.93 115.54 1cfp h MET 79 Ca -0.02 -0.17 -0.02 0.00 -3.44 0.00 0.00 59.70 56.05 1cfp h MET 79 Cb 1.25 -0.17 0.00 0.00 -0.55 0.00 0.00 31.60 32.13 1cfp h MET 79 CO 0.12 0.84 -0.17 0.82 0.14 0.00 0.00 176.91 178.65 1cfp h ILE 80 N 1.01 0.00 -1.00 1.77 1.08 -0.15 -2.48 117.51 117.74 1cfp h ILE 80 Ca 0.24 -0.07 0.23 0.00 -0.39 0.00 0.00 64.86 64.86 1cfp h ILE 80 Cb 0.19 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 33.84 1cfp h ILE 80 CO -0.02 0.00 0.63 0.74 -0.69 0.00 0.00 178.15 178.81 1cfp h THR 81 N -0.56 0.61 0.00 -0.27 2.02 -1.36 0.72 112.91 114.09 1cfp h THR 81 Ca -0.05 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 1cfp h THR 81 Cb 0.37 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.79 1cfp h THR 81 CO 0.08 0.10 -0.03 0.71 0.37 0.00 0.00 175.52 176.75 1cfp h THR 82 N 0.56 0.18 0.13 3.16 1.35 -0.21 -2.52 112.91 115.56 1cfp h THR 82 Ca 0.58 -0.28 -0.29 0.00 -0.55 0.00 0.00 66.41 65.86 1cfp h THR 82 Cb 1.20 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.85 1cfp h THR 82 CO -0.34 0.03 -1.39 0.00 -0.25 0.00 0.00 175.52 173.57 1cfp h ALA 83 N 1.97 0.16 -3.00 6.62 0.00 0.94 -3.42 119.26 122.52 1cfp h ALA 83 Ca -0.00 -0.99 0.00 0.00 0.00 0.00 0.00 54.91 53.92 1cfp h ALA 83 Cb 0.23 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1cfp h ALA 83 CO 0.00 1.03 0.00 0.00 0.00 0.00 0.00 179.25 180.29 1cfp s HIS 85 N 0.00 -0.04 -0.30 0.00 2.46 0.37 -4.97 115.29 112.81 1cfp s HIS 85 Ca 0.00 -0.38 -0.23 0.00 0.47 0.00 0.00 55.06 54.92 1cfp s HIS 85 Cb 0.00 0.70 0.03 0.00 -0.13 0.00 0.00 32.58 33.19 1cfp s HIS 85 CO 0.00 -1.05 0.42 0.39 -2.47 0.00 0.00 174.74 172.03 1cfp n GLU 86 N -0.54 -1.55 0.00 2.88 -0.58 -1.26 -3.06 120.64 116.52 1cfp n GLU 86 Ca -0.05 1.37 0.00 0.00 -0.42 0.00 0.00 57.16 58.05 1cfp n GLU 86 Cb 0.60 -2.23 0.00 0.00 -0.57 0.00 0.00 31.44 29.24 1cfp n GLU 86 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1cfp n PHE 87 N 0.30 0.00 0.00 -0.32 7.35 -1.26 -3.26 117.46 120.27 1cfp n PHE 87 Ca -0.04 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.65 1cfp n PHE 87 Cb 0.57 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.40 1cfp n PHE 87 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 1cfp n PHE 88 N 0.00 0.00 -0.49 -5.13 3.01 -1.17 -4.14 117.46 109.53 1cfp n PHE 88 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1cfp n PHE 88 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 1cfp n PHE 88 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1cfp n GLU 89 N 0.00 0.33 -0.11 -1.08 2.13 -1.16 -0.47 120.64 120.27 1cfp n GLU 89 Ca 0.00 -0.13 0.00 0.00 0.66 0.00 0.00 57.16 57.69 1cfp n GLU 89 Cb 0.00 -0.56 0.00 0.00 0.27 0.00 0.00 31.44 31.15 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 -0.09 0.00 0.00 4.31 -0.00 -1.26 -4.79 115.22 113.40 1cfp n HIS 90 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1cfp n HIS 90 Cb 0.12 0.06 0.00 0.00 -0.00 0.00 0.00 29.99 30.17 1cfp n HIS 90 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43