#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 1.34 -0.30 6.12 7.64 -1.26 -4.27 113.62 122.89 1cfp n SER 1 Ca 0.00 -2.01 0.34 0.00 1.01 0.00 0.00 58.87 58.21 1cfp n SER 1 Cb 0.00 -0.17 0.60 0.00 -1.01 0.00 0.00 64.21 63.62 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 1.43 0.00 0.20 1.43 5.08 -2.03 0.29 114.58 120.97 1cfp h GLU 2 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1cfp h GLU 2 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1cfp h GLU 2 CO 0.00 0.00 -0.10 -0.07 -1.00 0.00 0.00 179.01 177.85 1cfp h LEU 3 N 0.00 -0.23 -0.66 1.33 3.38 -1.97 0.18 115.31 117.35 1cfp h LEU 3 Ca 0.57 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.57 1cfp h LEU 3 Cb 2.84 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 43.61 1cfp h LEU 3 CO -0.01 0.24 0.39 -0.08 0.09 0.00 0.00 178.44 179.08 1cfp h GLU 4 N -1.07 0.72 -0.31 1.13 4.22 -1.25 2.43 114.58 120.44 1cfp h GLU 4 Ca -0.03 -0.04 -0.07 0.00 0.08 0.00 0.00 59.36 59.30 1cfp h GLU 4 Cb 0.22 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1cfp h GLU 4 CO 0.05 0.48 -0.08 0.87 -2.18 0.00 0.00 179.01 178.14 1cfp h LYS 5 N 0.74 0.52 -0.05 1.92 1.79 -0.65 0.08 116.57 120.91 1cfp h LYS 5 Ca 0.28 -0.14 -0.21 0.00 -2.18 0.00 0.00 60.65 58.40 1cfp h LYS 5 Cb 0.09 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 1cfp h LYS 5 CO -0.14 0.61 -0.83 0.00 -1.08 0.00 0.00 179.45 178.01 1cfp h ALA 6 N 1.43 0.45 -0.09 3.86 0.00 0.15 -2.25 119.26 122.81 1cfp h ALA 6 Ca 0.09 -0.65 0.04 0.00 0.00 0.00 0.00 54.91 54.40 1cfp h ALA 6 Cb 0.44 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 1cfp h ALA 6 CO 0.02 0.77 -0.24 0.28 0.00 0.00 0.00 179.25 180.08 1cfp h VAL 7 N 0.30 0.42 -0.40 0.00 2.07 0.52 0.84 116.25 119.99 1cfp h VAL 7 Ca -0.06 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.52 1cfp h VAL 7 Cb 1.44 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 1cfp h VAL 7 CO 0.15 0.00 0.27 0.58 0.02 0.00 0.00 177.57 178.59 1cfp h VAL 8 N -0.33 0.96 -0.10 2.57 2.07 -0.96 0.10 116.25 120.57 1cfp h VAL 8 Ca 0.09 -0.11 -0.13 0.00 0.82 0.00 0.00 66.70 67.37 1cfp h VAL 8 Cb 0.46 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1cfp h VAL 8 CO -0.28 0.06 -0.52 0.00 0.02 0.00 0.00 177.57 176.85 1cfp h ALA 9 N 1.78 0.93 -0.77 1.67 0.00 0.51 -2.97 119.26 120.41 1cfp h ALA 9 Ca 0.17 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1cfp h ALA 9 Cb 0.29 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1cfp h ALA 9 CO -0.04 0.67 0.49 -0.07 0.00 0.00 0.00 179.25 180.30 1cfp h LEU 10 N 0.22 0.91 -1.82 0.00 3.38 0.30 0.42 115.31 118.73 1cfp h LEU 10 Ca 0.01 -0.04 0.24 0.00 0.09 0.00 0.00 57.88 58.17 1cfp h LEU 10 Cb 0.99 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 1cfp h LEU 10 CO 0.08 0.68 0.75 0.16 0.09 0.00 0.00 178.44 180.20 1cfp h ILE 11 N 1.05 0.32 0.16 1.22 -0.00 -1.33 1.66 117.51 120.59 1cfp h ILE 11 Ca 0.28 0.00 -0.21 0.00 -0.00 0.00 0.00 64.86 64.93 1cfp h ILE 11 Cb -0.08 0.43 0.02 0.00 -0.00 0.00 0.00 36.82 37.20 1cfp h ILE 11 CO -0.06 0.00 -0.91 -0.78 -0.00 0.00 0.00 178.15 176.40 1cfp h ASP 12 N 0.00 0.51 0.35 2.16 1.82 -0.34 -2.48 116.42 118.45 1cfp h ASP 12 Ca 0.40 -0.95 -0.02 0.00 -0.39 0.00 0.00 57.03 56.07 1cfp h ASP 12 Cb 1.89 -0.17 0.00 0.00 0.68 0.00 0.00 39.33 41.74 1cfp h ASP 12 CO -0.00 1.44 -0.17 0.58 -1.61 0.00 0.00 179.24 179.48 1cfp h VAL 13 N -0.31 0.00 -0.53 2.25 2.07 0.39 -2.76 116.25 117.37 1cfp h VAL 13 Ca -0.16 -0.12 0.08 0.00 0.82 0.00 0.00 66.70 67.32 1cfp h VAL 13 Cb 1.71 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 31.42 1cfp h VAL 13 CO 0.17 0.00 0.18 0.15 0.02 0.00 0.00 177.57 178.09 1cfp h PHE 14 N -0.59 0.31 -0.99 1.57 3.04 -0.27 0.31 116.94 120.33 1cfp h PHE 14 Ca -0.05 0.03 0.33 0.00 3.98 0.00 0.00 57.97 62.26 1cfp h PHE 14 Cb 0.36 -0.06 -0.16 0.00 2.56 0.00 0.00 35.95 38.65 1cfp h PHE 14 CO 0.09 0.09 0.49 1.25 -2.02 0.00 0.00 178.31 178.21 1cfp h HIS 15 N 0.35 0.78 0.00 0.41 2.76 -1.47 -0.53 115.15 117.46 1cfp h HIS 15 Ca 0.26 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.47 1cfp h HIS 15 Cb 0.29 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 29.07 1cfp h HIS 15 CO -0.17 -0.26 0.00 1.04 -1.30 0.00 0.00 177.93 177.23 1cfp n GLN 16 N -5.15 0.00 -0.08 5.26 1.13 0.05 -2.04 117.38 116.55 1cfp n GLN 16 Ca 0.31 0.29 -0.02 0.00 -1.94 0.00 0.00 57.00 55.65 1cfp n GLN 16 Cb 1.01 -1.01 -0.02 0.00 0.11 0.00 0.00 30.24 30.33 1cfp n GLN 16 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1cfp n TYR 17 N -1.38 -0.09 0.11 1.08 4.02 -0.91 0.30 117.16 120.29 1cfp n TYR 17 Ca 0.00 0.25 0.01 0.00 -0.01 0.00 0.00 57.90 58.15 1cfp n TYR 17 Cb 0.00 -0.48 0.06 0.00 -0.02 0.00 0.00 39.34 38.90 1cfp n TYR 17 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1cfp n SER 18 N -3.40 0.00 -2.73 7.72 7.64 -0.25 -2.58 113.62 120.02 1cfp n SER 18 Ca 0.00 0.41 0.00 0.00 1.01 0.00 0.00 58.87 60.30 1cfp n SER 18 Cb 0.05 -0.43 0.05 0.00 -1.01 0.00 0.00 64.21 62.88 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 -1.16 1.75 0.00 0.23 0.00 0.52 -0.84 105.19 105.68 1cfp n GLY 19 Ca 0.01 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.62 1.12 0.00 1.61 1.85 0.86 -4.71 116.66 116.78 1cfp n ARG 20 Ca 0.04 -0.93 0.00 0.00 -1.00 0.00 0.00 57.85 55.96 1cfp n ARG 20 Cb 0.83 -0.89 0.00 0.00 -1.05 0.00 0.00 32.46 31.35 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 -0.24 0.00 0.00 2.89 2.13 -1.26 -5.01 120.64 119.15 1cfp n GLU 21 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1cfp n GLU 21 Cb 0.21 -0.05 0.00 0.00 0.27 0.00 0.00 31.44 31.87 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 0.84 -1.85 0.05 8.31 0.00 -1.26 -5.18 105.19 106.10 1cfp n GLY 22 Ca 0.00 0.82 -0.00 0.00 0.00 0.00 0.00 46.02 46.84 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 -0.03 0.00 1.61 8.00 -1.22 -5.04 116.55 119.87 1cfp n ASP 23 Ca 0.00 -1.02 0.00 0.00 0.71 0.00 0.00 54.79 54.48 1cfp n ASP 23 Cb 0.00 0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 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 -0.01 0.00 -2.99 -1.24 5.02 -0.02 -4.36 118.16 114.56 1cfp n LYS 24 Ca -0.00 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.15 1cfp n LYS 24 Cb 0.01 -0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.02 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 -1.24 -0.32 -3.72 2.13 8.25 -1.26 -3.89 115.22 115.16 1cfp n HIS 25 Ca 0.00 -3.25 -0.13 0.00 -0.26 0.00 0.00 57.72 54.09 1cfp n HIS 25 Cb 0.00 0.05 -0.10 0.00 1.12 0.00 0.00 29.99 31.06 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 -1.94 0.48 0.31 -0.41 2.36 -1.26 -4.63 119.74 114.64 1cfp s LYS 26 Ca 0.34 0.62 -0.02 0.00 -2.55 0.00 0.00 55.97 54.35 1cfp s LYS 26 Cb 0.36 0.20 -0.04 0.00 -1.05 0.00 0.00 37.83 37.30 1cfp s LYS 26 CO -0.05 -0.07 0.54 -1.17 1.55 0.00 0.00 175.35 176.14 1cfp s LEU 27 N 0.39 4.04 0.25 5.43 1.98 0.14 -4.49 118.68 126.43 1cfp s LEU 27 Ca -0.01 0.58 0.09 0.00 -2.89 0.00 0.00 54.13 51.89 1cfp s LEU 27 Cb -0.04 -3.41 -0.05 0.00 0.66 0.00 0.00 46.19 43.35 1cfp s LEU 27 CO -0.01 -0.23 -0.14 -0.54 -1.89 0.00 0.00 176.35 173.54 1cfp s LYS 28 N -3.87 1.52 0.65 1.98 1.02 -1.26 -1.68 119.74 118.10 1cfp s LYS 28 Ca 0.42 -1.71 0.24 0.00 0.02 0.00 0.00 55.97 54.93 1cfp s LYS 28 Cb -0.10 -1.37 1.29 0.00 -0.52 0.00 0.00 37.83 37.13 1cfp s LYS 28 CO 0.33 0.19 1.73 0.87 -0.92 0.00 0.00 175.35 177.55 1cfp h LYS 29 N 2.37 0.00 0.05 1.68 1.57 -1.92 -0.83 116.57 119.48 1cfp h LYS 29 Ca -0.39 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.11 1cfp h LYS 29 Cb 1.24 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.52 1cfp h LYS 29 CO 0.63 0.00 -1.50 0.66 -0.57 0.00 0.00 179.45 178.67 1cfp h SER 30 N 0.00 0.15 -0.34 0.86 4.64 -1.98 -3.34 113.55 113.54 1cfp h SER 30 Ca 0.04 -0.66 -0.04 0.00 -0.47 0.00 0.00 61.79 60.66 1cfp h SER 30 Cb 1.04 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 63.06 1cfp h SER 30 CO -0.00 1.62 0.10 -0.33 -0.87 0.00 0.00 176.83 177.35 1cfp h GLU 31 N -0.63 0.61 0.48 4.77 5.08 -1.60 -2.81 114.58 120.48 1cfp h GLU 31 Ca -0.37 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 57.87 1cfp h GLU 31 Cb 1.56 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.69 1cfp h GLU 31 CO -0.10 0.56 -0.41 -0.07 -1.00 0.00 0.00 179.01 177.99 1cfp h LEU 32 N 0.60 -1.09 -0.65 1.33 3.38 -1.37 -0.65 115.31 116.85 1cfp h LEU 32 Ca 0.14 0.08 0.13 0.00 0.09 0.00 0.00 57.88 58.32 1cfp h LEU 32 Cb 0.23 0.35 -0.12 0.00 0.09 0.00 0.00 40.66 41.20 1cfp h LEU 32 CO -0.00 -0.56 -0.16 0.50 0.09 0.00 0.00 178.44 178.30 1cfp h LYS 33 N -0.86 -0.00 -0.52 1.13 3.11 -1.66 1.83 116.57 119.59 1cfp h LYS 33 Ca -0.06 0.00 0.15 0.00 -2.81 0.00 0.00 60.65 57.93 1cfp h LYS 33 Cb 0.73 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.94 1cfp h LYS 33 CO -0.01 -0.00 0.47 1.49 -2.81 0.00 0.00 179.45 178.58 1cfp h GLU 34 N -0.00 0.00 -0.18 1.90 4.81 -1.18 0.27 114.58 120.20 1cfp h GLU 34 Ca 0.31 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.38 1cfp h GLU 34 Cb 0.47 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 1cfp h GLU 34 CO -0.67 0.00 -0.56 1.25 -0.73 0.00 0.00 179.01 178.30 1cfp h LEU 35 N 0.00 0.61 0.20 1.64 6.46 0.44 -1.15 115.31 123.50 1cfp h LEU 35 Ca 0.25 -0.33 -0.31 0.00 -0.12 0.00 0.00 57.88 57.37 1cfp h LEU 35 Cb 1.18 -0.17 0.02 0.00 -0.73 0.00 0.00 40.66 40.96 1cfp h LEU 35 CO -0.00 1.04 -1.39 0.40 -0.62 0.00 0.00 178.44 177.87 1cfp h ILE 36 N 0.42 1.37 -0.05 4.05 1.08 -0.08 -3.25 117.51 121.05 1cfp h ILE 36 Ca 0.01 -2.86 0.00 0.00 -0.39 0.00 0.00 64.86 61.62 1cfp h ILE 36 Cb 1.10 3.00 0.00 0.00 -3.07 0.00 0.00 36.82 37.85 1cfp h ILE 36 CO 0.10 0.85 0.00 0.59 -0.69 0.00 0.00 178.15 179.00 1cfp n ASN 37 N -3.63 0.67 -0.01 1.72 4.13 -0.37 -1.89 115.26 115.88 1cfp n ASN 37 Ca -0.13 -1.43 -0.17 0.00 1.68 0.00 0.00 54.58 54.52 1cfp n ASN 37 Cb 1.07 -0.03 -0.14 0.00 -1.54 0.00 0.00 39.78 39.14 1cfp n ASN 37 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1cfp n ASN 38 N -0.38 1.70 -0.08 6.41 3.02 -0.44 -4.45 115.26 121.04 1cfp n ASN 38 Ca 0.17 0.25 -0.17 0.00 -0.03 0.00 0.00 54.58 54.80 1cfp n ASN 38 Cb 0.19 -0.56 -0.06 0.00 -0.61 0.00 0.00 39.78 38.74 1cfp n ASN 38 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1cfp n GLU 39 N -3.32 0.33 -1.19 3.52 4.71 -1.25 -4.64 120.64 118.80 1cfp n GLU 39 Ca -0.28 0.14 -0.34 0.00 -0.01 0.00 0.00 57.16 56.68 1cfp n GLU 39 Cb 1.05 -1.05 -0.04 0.00 -1.01 0.00 0.00 31.44 30.39 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 -3.69 7.83 -0.25 -4.62 4.32 -0.79 -4.72 117.00 115.08 1cfp n LEU 40 Ca -0.30 -4.02 0.17 0.00 -0.02 0.00 0.00 56.01 51.84 1cfp n LEU 40 Cb 0.72 -1.47 0.32 0.00 -1.62 0.00 0.00 43.42 41.36 1cfp n LEU 40 CO 0.02 1.83 0.68 -1.20 -1.22 0.00 0.00 177.39 177.49 1cfp n SER 41 N 3.54 0.07 -0.37 -1.43 7.64 -1.26 0.27 113.62 122.07 1cfp n SER 41 Ca 0.70 1.25 0.37 0.00 1.01 0.00 0.00 58.87 62.20 1cfp n SER 41 Cb 0.29 -0.52 0.74 0.00 -1.01 0.00 0.00 64.21 63.71 1cfp n SER 41 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 1cfp h HIS 42 N 0.00 0.06 0.00 1.43 6.17 -1.91 2.03 115.15 122.94 1cfp h HIS 42 Ca 0.53 0.00 -0.04 0.00 0.71 0.00 0.00 60.37 61.57 1cfp h HIS 42 Cb 1.26 -0.02 -0.01 0.00 2.52 0.00 0.00 27.41 31.17 1cfp h HIS 42 CO -0.21 -0.00 -0.19 0.74 0.71 0.00 0.00 177.93 178.98 1cfp h PHE 43 N 0.03 0.00 -1.07 5.26 -1.00 0.35 -2.66 116.94 117.86 1cfp h PHE 43 Ca 0.62 0.00 0.28 0.00 2.81 0.00 0.00 57.97 61.69 1cfp h PHE 43 Cb 2.41 0.00 -0.09 0.00 3.61 0.00 0.00 35.95 41.89 1cfp h PHE 43 CO -0.00 0.19 0.70 1.25 -1.61 0.00 0.00 178.31 178.84 1cfp h LEU 44 N 0.00 0.36 0.00 1.54 5.85 0.32 0.88 115.31 124.26 1cfp h LEU 44 Ca -0.00 0.07 -0.29 0.00 0.84 0.00 0.00 57.88 58.49 1cfp h LEU 44 Cb 0.90 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.89 1cfp h LEU 44 CO 0.02 0.06 -1.72 -0.62 -0.34 0.00 0.00 178.44 175.84 1cfp n GLU 45 N -4.55 0.63 0.00 1.25 4.71 -1.11 -4.93 120.64 116.65 1cfp n GLU 45 Ca 0.25 0.30 0.00 0.00 -0.01 0.00 0.00 57.16 57.70 1cfp n GLU 45 Cb 0.96 -1.79 0.00 0.00 -1.01 0.00 0.00 31.44 29.59 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 -3.05 0.00 -0.45 3.49 4.07 0.30 -4.22 120.64 120.79 1cfp n GLU 46 Ca -0.17 0.00 0.38 0.00 -0.06 0.00 0.00 57.16 57.30 1cfp n GLU 46 Cb 1.05 0.00 0.63 0.00 -0.06 0.00 0.00 31.44 33.06 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 0.00 -0.22 -0.33 6.31 0.00 -1.26 0.74 119.36 124.60 1cfp n ILE 47 Ca 0.00 1.63 0.35 0.00 0.00 0.00 0.00 62.75 64.73 1cfp n ILE 47 Cb 0.00 -2.67 0.55 0.00 0.00 0.00 0.00 39.64 37.52 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 -2.40 9.51 1.79 -1.83 -3.07 116.57 120.57 1cfp h LYS 48 Ca 0.81 0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 58.79 1cfp h LYS 48 Cb 2.65 0.00 -0.36 0.00 -1.58 0.00 0.00 32.23 32.94 1cfp h LYS 48 CO -0.40 0.00 -0.77 -1.83 -1.08 0.00 0.00 179.45 175.37 1cfp s GLU 49 N -4.57 0.48 0.05 3.15 1.03 0.23 -5.03 118.70 114.04 1cfp s GLU 49 Ca -0.03 -0.94 -0.25 0.00 0.03 0.00 0.00 54.97 53.78 1cfp s GLU 49 Cb 0.18 -1.05 -0.13 0.00 -0.80 0.00 0.00 34.13 32.33 1cfp s GLU 49 CO 0.59 -1.15 1.37 1.96 -1.33 0.00 0.00 175.26 176.70 1cfp h GLN 50 N 7.40 -0.77 -1.29 -4.83 1.08 -1.73 0.12 115.11 115.10 1cfp h GLN 50 Ca -0.01 0.05 0.44 0.00 -1.45 0.00 0.00 58.65 57.68 1cfp h GLN 50 Cb 1.01 0.17 -0.14 0.00 -0.05 0.00 0.00 27.48 28.48 1cfp h GLN 50 CO 0.28 -0.51 0.81 1.49 -0.95 0.00 0.00 178.83 179.95 1cfp h GLU 51 N -0.80 0.07 0.09 1.46 4.81 -1.95 1.33 114.58 119.59 1cfp h GLU 51 Ca -0.07 -0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.88 1cfp h GLU 51 Cb 0.64 -0.02 0.02 0.00 0.63 0.00 0.00 28.75 30.03 1cfp h GLU 51 CO 0.06 0.05 -1.17 0.28 -0.73 0.00 0.00 179.01 177.49 1cfp h VAL 52 N 0.07 1.34 -0.02 0.32 2.07 -1.71 -1.88 116.25 116.45 1cfp h VAL 52 Ca 0.83 -2.52 -0.01 0.00 0.82 0.00 0.00 66.70 65.82 1cfp h VAL 52 Cb 2.55 2.65 -0.00 0.00 -1.52 0.00 0.00 31.29 34.97 1cfp h VAL 52 CO -0.48 0.76 -0.03 0.58 0.02 0.00 0.00 177.57 178.43 1cfp h VAL 53 N 0.25 1.03 -0.10 2.57 2.07 0.43 1.47 116.25 123.97 1cfp h VAL 53 Ca -0.15 -0.13 -0.17 0.00 0.82 0.00 0.00 66.70 67.06 1cfp h VAL 53 Cb 1.84 1.05 0.01 0.00 -1.52 0.00 0.00 31.29 32.67 1cfp h VAL 53 CO 0.22 0.04 -0.61 -0.78 0.02 0.00 0.00 177.57 176.45 1cfp h ASP 54 N 0.02 0.72 0.08 0.57 3.58 -0.42 -2.35 116.42 118.62 1cfp h ASP 54 Ca 0.01 -0.65 -0.00 0.00 0.42 0.00 0.00 57.03 56.80 1cfp h ASP 54 Cb 0.06 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 40.90 1cfp h ASP 54 CO 0.00 1.26 -0.04 0.11 -2.88 0.00 0.00 179.24 177.69 1cfp h LYS 55 N 0.23 -0.10 -0.97 0.28 6.56 -0.30 -0.18 116.57 122.09 1cfp h LYS 55 Ca -0.05 0.01 0.30 0.00 -1.06 0.00 0.00 60.65 59.85 1cfp h LYS 55 Cb 1.26 0.02 -0.18 0.00 -0.57 0.00 0.00 32.23 32.76 1cfp h LYS 55 CO 0.13 -0.07 0.18 0.28 -2.06 0.00 0.00 179.45 177.91 1cfp h VAL 56 N -0.49 0.06 0.00 0.50 2.07 0.18 2.09 116.25 120.67 1cfp h VAL 56 Ca -0.01 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 67.46 1cfp h VAL 56 Cb 0.08 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.86 1cfp h VAL 56 CO 0.02 0.01 -0.18 0.24 0.02 0.00 0.00 177.57 177.67 1cfp h MET 57 N 0.04 0.00 0.20 1.57 2.86 -1.52 -2.73 114.93 115.35 1cfp h MET 57 Ca 0.65 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 58.28 1cfp h MET 57 Cb 1.44 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.11 1cfp h MET 57 CO -0.84 0.18 -0.10 1.49 1.06 0.00 0.00 176.91 178.70 1cfp h GLU 58 N 0.00 -0.26 0.02 1.72 4.57 0.53 0.29 114.58 121.46 1cfp h GLU 58 Ca -0.00 0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1cfp h GLU 58 Cb 1.09 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 1cfp h GLU 58 CO 0.02 -0.00 -0.01 1.15 -1.18 0.00 0.00 179.01 178.99 1cfp h THR 59 N -0.49 1.36 -0.83 0.32 2.02 -1.42 -3.10 112.91 110.77 1cfp h THR 59 Ca -0.03 -1.21 0.09 0.00 0.77 0.00 0.00 66.41 66.03 1cfp h THR 59 Cb 0.37 2.17 -0.06 0.00 -1.74 0.00 0.00 68.15 68.90 1cfp h THR 59 CO 0.04 0.31 0.54 0.25 0.37 0.00 0.00 175.52 177.03 1cfp h LEU 60 N -0.56 0.72 -1.01 2.58 6.46 -1.54 0.20 115.31 122.15 1cfp h LEU 60 Ca -0.00 0.02 0.21 0.00 -0.12 0.00 0.00 57.88 57.98 1cfp h LEU 60 Cb 0.53 -0.13 -0.11 0.00 -0.73 0.00 0.00 40.66 40.22 1cfp h LEU 60 CO 0.01 0.43 0.61 -0.78 -0.62 0.00 0.00 178.44 178.08 1cfp h ASP 61 N 0.80 0.75 0.12 1.25 3.58 -0.33 -1.82 116.42 120.77 1cfp h ASP 61 Ca 0.38 0.11 -0.28 0.00 0.42 0.00 0.00 57.03 57.66 1cfp h ASP 61 Cb 0.41 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.43 1cfp h ASP 61 CO -0.15 0.23 -1.41 0.77 -2.88 0.00 0.00 179.24 175.80 1cfp h SER 62 N 0.71 0.39 -6.83 2.28 4.64 -0.99 -3.46 113.55 110.29 1cfp h SER 62 Ca 0.60 -0.86 -0.53 0.00 -0.47 0.00 0.00 61.79 60.53 1cfp h SER 62 Cb 1.00 -0.13 -0.16 0.00 -0.31 0.00 0.00 62.40 62.80 1cfp h SER 62 CO -0.41 1.62 -0.84 -0.90 -0.87 0.00 0.00 176.83 175.43 1cfp n ASP 63 N -3.91 0.22 -2.04 4.97 5.68 0.48 0.35 116.55 122.29 1cfp n ASP 63 Ca -0.25 -1.11 -0.04 0.00 -0.50 0.00 0.00 54.79 52.90 1cfp n ASP 63 Cb 0.91 -1.37 -0.01 0.00 -1.14 0.00 0.00 41.12 39.51 1cfp n ASP 63 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cfp n GLY 64 N -2.31 -0.21 0.90 6.12 0.00 -1.26 -3.33 105.19 105.09 1cfp n GLY 64 Ca -0.26 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.90 -0.72 0.00 1.61 2.03 1.07 -4.29 116.55 115.35 1cfp n ASP 65 Ca -0.04 0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.30 1cfp n ASP 65 Cb 0.40 -0.18 0.00 0.00 -0.72 0.00 0.00 41.12 40.63 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 0.47 0.80 3.51 0.27 0.00 -1.21 -5.06 105.19 103.97 1cfp n GLY 66 Ca -0.00 -0.57 -0.34 0.00 0.00 0.00 0.00 46.02 45.11 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 0.00 3.51 -0.19 1.61 -1.05 -1.26 -4.58 118.70 116.74 1cfp s GLU 67 Ca 0.00 -0.53 -0.07 0.00 -0.15 0.00 0.00 54.97 54.22 1cfp s GLU 67 Cb 0.00 -2.85 -0.04 0.00 -0.44 0.00 0.00 34.13 30.80 1cfp s GLU 67 CO 0.00 0.32 0.06 0.00 0.95 0.00 0.00 175.26 176.58 1cfp s ASP 69 N 0.51 4.70 0.00 0.00 1.11 -1.26 0.25 116.67 121.99 1cfp s ASP 69 Ca 0.03 -0.48 0.00 0.00 0.18 0.00 0.00 52.55 52.28 1cfp s ASP 69 Cb -0.13 -0.96 0.00 0.00 1.07 0.00 0.00 42.92 42.90 1cfp s ASP 69 CO 0.01 0.06 0.00 0.49 1.18 0.00 0.00 175.17 176.91 1cfp n PHE 70 N -0.40 0.00 -0.43 4.23 3.72 -1.26 0.14 117.46 123.45 1cfp n PHE 70 Ca -0.09 0.00 0.41 0.00 -0.05 0.00 0.00 57.45 57.72 1cfp n PHE 70 Cb 0.56 0.00 0.75 0.00 -0.94 0.00 0.00 39.48 39.86 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 0.30 -1.08 -0.00 -2.00 -2.47 115.11 109.85 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 -0.14 1.05 -0.00 0.00 0.00 178.83 179.74 1cfp h GLU 72 N 0.00 -0.39 -0.95 0.06 -0.00 0.83 -0.27 114.58 113.86 1cfp h GLU 72 Ca 0.68 0.03 0.11 0.00 -0.00 0.00 0.00 59.36 60.17 1cfp h GLU 72 Cb 2.82 0.09 -0.13 0.00 -0.00 0.00 0.00 28.75 31.53 1cfp h GLU 72 CO -0.01 -0.26 -0.50 0.34 -0.00 0.00 0.00 179.01 178.59 1cfp n PHE 73 N -3.16 -0.26 0.11 2.06 7.35 -0.93 0.21 117.46 122.84 1cfp n PHE 73 Ca -0.05 1.19 0.04 0.00 -0.76 0.00 0.00 57.45 57.87 1cfp n PHE 73 Cb 0.16 -0.67 0.47 0.00 0.35 0.00 0.00 39.48 39.78 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 0.29 0.00 -4.13 2.86 -1.60 0.28 114.93 112.62 1cfp h MET 74 Ca 0.22 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1cfp h MET 74 Cb 0.45 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.06 1cfp h MET 74 CO -0.92 0.27 0.00 0.00 1.06 0.00 0.00 176.91 177.33 1cfp n ALA 75 N -2.50 -0.11 -0.15 6.32 0.00 0.56 -2.41 120.51 122.22 1cfp n ALA 75 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1cfp n ALA 75 Cb 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.57 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 -1.11 -1.00 0.00 3.57 -0.22 0.67 116.94 118.85 1cfp h PHE 76 Ca 0.00 0.07 0.34 0.00 3.53 0.00 0.00 57.97 61.91 1cfp h PHE 76 Cb 0.00 0.55 -0.15 0.00 2.79 0.00 0.00 35.95 39.14 1cfp h PHE 76 CO 0.05 -0.41 0.56 -0.24 -2.23 0.00 0.00 178.31 176.04 1cfp h VAL 77 N -0.27 0.24 -0.41 1.41 3.04 -1.08 2.30 116.25 121.49 1cfp h VAL 77 Ca 0.17 -0.09 -0.06 0.00 -1.01 0.00 0.00 66.70 65.70 1cfp h VAL 77 Cb 0.56 -0.04 -0.01 0.00 -2.01 0.00 0.00 31.29 29.79 1cfp h VAL 77 CO -0.60 0.05 0.01 0.00 -1.01 0.00 0.00 177.57 176.02 1cfp h ALA 78 N 1.88 0.55 -0.49 3.17 0.00 0.63 -1.69 119.26 123.31 1cfp h ALA 78 Ca 0.76 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 55.41 1cfp h ALA 78 Cb 1.78 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.39 1cfp h ALA 78 CO -0.64 0.33 0.29 1.98 0.00 0.00 0.00 179.25 181.21 1cfp h MET 79 N 0.56 0.66 0.31 0.00 -1.53 0.53 0.28 114.93 115.73 1cfp h MET 79 Ca 0.12 -0.05 -0.02 0.00 -3.44 0.00 0.00 59.70 56.31 1cfp h MET 79 Cb 0.47 -0.14 0.00 0.00 -0.55 0.00 0.00 31.60 31.38 1cfp h MET 79 CO 0.02 0.46 -0.15 0.82 0.14 0.00 0.00 176.91 178.20 1cfp h ILE 80 N 0.67 0.00 -0.78 1.77 1.08 0.11 -2.38 117.51 117.98 1cfp h ILE 80 Ca 0.18 -0.02 0.07 0.00 -0.39 0.00 0.00 64.86 64.70 1cfp h ILE 80 Cb -0.02 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 33.68 1cfp h ILE 80 CO -0.03 0.00 0.51 0.74 -0.69 0.00 0.00 178.15 178.68 1cfp h THR 81 N -0.44 1.01 0.00 -0.27 2.02 -1.19 0.11 112.91 114.15 1cfp h THR 81 Ca -0.04 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.86 1cfp h THR 81 Cb 0.32 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 1cfp h THR 81 CO 0.07 0.15 0.00 0.71 0.37 0.00 0.00 175.52 176.82 1cfp h THR 82 N 0.80 0.00 0.07 3.16 1.35 -0.36 -2.91 112.91 115.02 1cfp h THR 82 Ca 0.34 -0.13 -0.00 0.00 -0.55 0.00 0.00 66.41 66.07 1cfp h THR 82 Cb 0.31 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 1cfp h THR 82 CO -0.12 0.00 -0.03 0.00 -0.25 0.00 0.00 175.52 175.11 1cfp h ALA 83 N 2.06 -0.09 -3.00 6.62 0.00 -0.22 -3.40 119.26 121.22 1cfp h ALA 83 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1cfp h ALA 83 Cb 0.16 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1cfp h ALA 83 CO 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.12 1cfp n HIS 85 N -0.18 0.00 -1.45 0.00 1.44 -1.25 -4.99 115.22 108.79 1cfp n HIS 85 Ca 0.00 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 55.81 1cfp n HIS 85 Cb 0.00 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.09 1cfp n HIS 85 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62 1cfp n GLU 86 N 0.00 -1.43 -0.37 -1.40 2.13 -1.14 -3.36 120.64 115.08 1cfp n GLU 86 Ca 0.00 0.94 0.32 0.00 0.66 0.00 0.00 57.16 59.08 1cfp n GLU 86 Cb 0.00 -1.74 0.50 0.00 0.27 0.00 0.00 31.44 30.46 1cfp n GLU 86 CO 0.00 0.00 0.00 1.97 -0.41 0.00 0.00 177.13 178.69 1cfp n PHE 87 N -2.62 0.00 -1.69 4.31 -1.74 -1.25 -2.49 117.46 111.99 1cfp n PHE 87 Ca 0.00 0.00 -0.17 0.00 -0.56 0.00 0.00 57.45 56.72 1cfp n PHE 87 Cb 0.32 -0.30 -0.10 0.00 1.52 0.00 0.00 39.48 40.92 1cfp n PHE 87 CO 0.00 0.00 0.00 -0.06 -0.56 0.00 0.00 176.76 176.14 1cfp s PHE 88 N -4.19 1.34 0.11 2.97 0.08 -1.21 -3.71 117.98 113.36 1cfp s PHE 88 Ca -0.03 2.00 0.00 0.00 0.12 0.00 0.00 56.93 59.02 1cfp s PHE 88 Cb 0.16 -3.44 0.00 0.00 -0.57 0.00 0.00 43.02 39.17 1cfp s PHE 88 CO 0.54 -0.78 0.00 -1.91 -0.10 0.00 0.00 175.22 172.96 1cfp n GLU 89 N 8.22 -2.20 -1.29 0.44 0.00 -1.25 -4.49 120.64 120.05 1cfp n GLU 89 Ca 0.42 1.77 -0.12 0.00 0.00 0.00 0.00 57.16 59.23 1cfp n GLU 89 Cb 0.47 -1.70 -0.05 0.00 0.00 0.00 0.00 31.44 30.16 1cfp n GLU 89 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 1cfp n HIS 90 N 0.48 -0.25 -0.03 4.31 -0.00 -1.26 -4.72 115.22 113.75 1cfp n HIS 90 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1cfp n HIS 90 Cb 0.00 -2.53 0.00 0.00 -0.12 0.00 0.00 29.99 27.34 1cfp n HIS 90 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89