#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cfp n SER 1 N 0.00 0.75 -0.63 6.12 3.41 -1.26 -4.18 113.62 117.83 1cfp n SER 1 Ca 0.00 -0.64 0.49 0.00 -0.26 0.00 0.00 58.87 58.47 1cfp n SER 1 Cb 0.00 0.08 0.77 0.00 -0.26 0.00 0.00 64.21 64.80 1cfp n SER 1 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1cfp h GLU 2 N 0.78 0.00 -0.03 4.33 4.39 -2.03 0.23 114.58 122.24 1cfp h GLU 2 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1cfp h GLU 2 Cb 0.47 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1cfp h GLU 2 CO 0.00 0.00 0.00 1.37 -1.16 0.00 0.00 179.01 179.22 1cfp h LEU 3 N 0.00 0.05 0.00 1.33 8.10 -2.00 -1.10 115.31 121.69 1cfp h LEU 3 Ca 0.87 -0.30 -0.03 0.00 0.11 0.00 0.00 57.88 58.52 1cfp h LEU 3 Cb 3.62 -0.01 -0.01 0.00 -0.44 0.00 0.00 40.66 43.82 1cfp h LEU 3 CO -0.01 0.34 -0.24 -0.33 -4.11 0.00 0.00 178.44 174.09 1cfp h GLU 4 N -0.23 0.00 -0.89 0.17 4.39 -0.92 -3.23 114.58 113.86 1cfp h GLU 4 Ca 0.01 0.00 0.26 0.00 0.34 0.00 0.00 59.36 59.97 1cfp h GLU 4 Cb 0.31 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.92 1cfp h GLU 4 CO 0.00 0.58 0.82 0.87 -1.16 0.00 0.00 179.01 180.12 1cfp h LYS 5 N -1.00 0.00 -0.70 2.33 1.79 -1.34 2.30 116.57 119.95 1cfp h LYS 5 Ca -0.05 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.36 1cfp h LYS 5 Cb 0.68 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.30 1cfp h LYS 5 CO -0.03 0.00 0.21 0.00 -1.08 0.00 0.00 179.45 178.55 1cfp h ALA 6 N 1.20 1.05 0.34 3.86 0.00 -1.21 -2.06 119.26 122.44 1cfp h ALA 6 Ca 0.42 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1cfp h ALA 6 Cb 2.06 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.58 1cfp h ALA 6 CO -0.00 0.64 -0.16 0.28 0.00 0.00 0.00 179.25 180.01 1cfp h VAL 7 N 1.05 0.68 -1.46 0.00 2.07 0.38 0.88 116.25 119.86 1cfp h VAL 7 Ca 0.23 -0.21 0.42 0.00 0.82 0.00 0.00 66.70 67.96 1cfp h VAL 7 Cb 0.30 0.80 -0.06 0.00 -1.52 0.00 0.00 31.29 30.81 1cfp h VAL 7 CO -0.01 0.04 1.04 0.58 0.02 0.00 0.00 177.57 179.25 1cfp h VAL 8 N -0.57 0.26 0.05 2.57 2.07 -1.04 0.22 116.25 119.82 1cfp h VAL 8 Ca -0.05 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 1cfp h VAL 8 Cb 0.42 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1cfp h VAL 8 CO 0.08 0.00 -0.03 0.00 0.02 0.00 0.00 177.57 177.64 1cfp h ALA 9 N 1.29 -0.08 -1.08 1.67 0.00 -0.44 -3.11 119.26 117.50 1cfp h ALA 9 Ca 0.70 -0.02 0.29 0.00 0.00 0.00 0.00 54.91 55.89 1cfp h ALA 9 Cb 2.77 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 20.50 1cfp h ALA 9 CO -0.03 -0.07 0.71 -0.07 0.00 0.00 0.00 179.25 179.79 1cfp h LEU 10 N -0.99 0.37 -1.27 0.00 3.38 0.86 0.90 115.31 118.56 1cfp h LEU 10 Ca -0.01 0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 1cfp h LEU 10 Cb 0.06 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1cfp h LEU 10 CO 0.01 0.05 -0.28 0.16 0.09 0.00 0.00 178.44 178.47 1cfp h ILE 11 N 0.31 1.23 -0.70 1.22 -0.00 -0.73 -1.10 117.51 117.74 1cfp h ILE 11 Ca 0.61 -1.10 -0.03 0.00 -0.00 0.00 0.00 64.86 64.33 1cfp h ILE 11 Cb 1.70 1.49 -0.03 0.00 -0.00 0.00 0.00 36.82 39.99 1cfp h ILE 11 CO -0.27 0.33 0.31 -0.78 -0.00 0.00 0.00 178.15 177.73 1cfp h ASP 12 N 0.12 0.94 0.29 2.16 1.82 0.91 -1.42 116.42 121.23 1cfp h ASP 12 Ca 0.02 -0.15 -0.01 0.00 -0.39 0.00 0.00 57.03 56.49 1cfp h ASP 12 Cb 0.57 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 40.34 1cfp h ASP 12 CO 0.04 0.83 -0.14 0.58 -1.61 0.00 0.00 179.24 178.94 1cfp h VAL 13 N 0.98 0.73 -0.59 2.25 2.07 -0.98 -2.67 116.25 118.05 1cfp h VAL 13 Ca 0.24 -0.11 0.12 0.00 0.82 0.00 0.00 66.70 67.76 1cfp h VAL 13 Cb 0.17 0.79 -0.11 0.00 -1.52 0.00 0.00 31.29 30.62 1cfp h VAL 13 CO -0.02 0.02 -0.20 -0.26 0.02 0.00 0.00 177.57 177.13 1cfp h PHE 14 N -0.45 -0.46 -0.94 1.57 0.04 -0.77 1.48 116.94 117.41 1cfp h PHE 14 Ca -0.04 0.06 0.28 0.00 2.80 0.00 0.00 57.97 61.07 1cfp h PHE 14 Cb 0.34 0.29 -0.16 0.00 2.20 0.00 0.00 35.95 38.62 1cfp h PHE 14 CO -0.04 -0.29 0.25 1.25 -0.60 0.00 0.00 178.31 178.87 1cfp h HIS 15 N -0.05 0.35 0.00 -0.55 2.76 -0.93 0.41 115.15 117.14 1cfp h HIS 15 Ca 0.27 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.50 1cfp h HIS 15 Cb 0.48 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.43 1cfp h HIS 15 CO -0.52 -0.32 -0.04 1.96 -1.30 0.00 0.00 177.93 177.71 1cfp h GLN 16 N 0.12 0.00 -0.90 5.26 4.20 0.33 -2.98 115.11 121.15 1cfp h GLN 16 Ca 0.63 0.00 0.08 0.00 0.06 0.00 0.00 58.65 59.42 1cfp h GLN 16 Cb 1.37 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 29.05 1cfp h GLN 16 CO -0.75 0.00 -0.53 0.66 -0.67 0.00 0.00 178.83 177.54 1cfp n TYR 17 N -2.48 -0.39 1.81 2.96 4.02 0.45 0.28 117.16 123.80 1cfp n TYR 17 Ca -0.01 1.12 0.14 0.00 -0.01 0.00 0.00 57.90 59.14 1cfp n TYR 17 Cb 0.02 -0.57 0.83 0.00 -0.02 0.00 0.00 39.34 39.60 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 -5.05 0.00 -1.34 7.72 3.41 0.14 -3.54 113.62 114.96 1cfp n SER 18 Ca 0.02 -0.93 0.02 0.00 -0.26 0.00 0.00 58.87 57.72 1cfp n SER 18 Cb 0.23 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.19 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 0.79 0.90 1.52 5.00 0.00 0.32 -2.84 105.19 110.89 1cfp n GLY 19 Ca 0.21 -0.67 -0.14 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 0.39 2.84 0.00 1.61 1.85 0.79 -4.75 116.66 119.39 1cfp n ARG 20 Ca 0.02 -3.81 0.00 0.00 -1.00 0.00 0.00 57.85 53.06 1cfp n ARG 20 Cb 1.05 -2.04 0.00 0.00 -1.05 0.00 0.00 32.46 30.42 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 -0.87 0.00 -1.78 2.89 2.13 -1.26 -4.99 120.64 116.76 1cfp n GLU 21 Ca 0.36 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 58.17 1cfp n GLU 21 Cb 0.87 0.00 0.02 0.00 0.27 0.00 0.00 31.44 32.60 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 0.00 1.15 3.31 8.31 0.00 -1.26 -5.11 105.19 111.59 1cfp n GLY 22 Ca 0.00 -0.57 -0.19 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.96 2.39 0.00 1.61 1.01 -1.26 -5.11 116.67 113.36 1cfp s ASP 23 Ca 0.20 -0.94 0.00 0.00 0.71 0.00 0.00 52.55 52.52 1cfp s ASP 23 Cb 0.28 -0.11 0.00 0.00 1.01 0.00 0.00 42.92 44.09 1cfp s ASP 23 CO -0.09 -0.15 0.00 0.29 0.21 0.00 0.00 175.17 175.43 1cfp n LYS 24 N -0.02 0.00 -2.92 8.23 4.01 -1.13 -3.91 118.16 122.41 1cfp n LYS 24 Ca -0.11 0.00 -0.19 0.00 -0.51 0.00 0.00 58.31 57.50 1cfp n LYS 24 Cb 0.59 -0.22 -0.01 0.00 -0.51 0.00 0.00 35.03 34.87 1cfp n LYS 24 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1cfp n HIS 25 N -0.76 1.66 -3.98 2.13 8.25 -1.25 -3.82 115.22 117.45 1cfp n HIS 25 Ca 0.00 -3.53 -0.12 0.00 -0.26 0.00 0.00 57.72 53.81 1cfp n HIS 25 Cb 0.00 -0.38 -0.02 0.00 1.12 0.00 0.00 29.99 30.71 1cfp n HIS 25 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1cfp s LYS 26 N -2.96 1.99 0.33 -0.41 3.01 -1.26 -4.56 119.74 115.87 1cfp s LYS 26 Ca 0.40 -1.59 0.04 0.00 -1.01 0.00 0.00 55.97 53.80 1cfp s LYS 26 Cb 0.37 0.51 -0.01 0.00 -1.01 0.00 0.00 37.83 37.68 1cfp s LYS 26 CO -0.08 -0.87 0.36 1.28 0.51 0.00 0.00 175.35 176.55 1cfp n LEU 27 N -0.54 0.00 -4.28 3.17 4.77 0.18 -4.20 117.00 116.10 1cfp n LEU 27 Ca -0.02 -2.93 -0.17 0.00 -0.03 0.00 0.00 56.01 52.86 1cfp n LEU 27 Cb 0.61 1.96 -0.10 0.00 -2.33 0.00 0.00 43.42 43.56 1cfp n LEU 27 CO 0.28 -0.56 -0.43 -0.75 -1.33 0.00 0.00 177.39 174.60 1cfp s LYS 28 N -3.08 1.16 0.60 3.23 2.20 -1.26 0.06 119.74 122.63 1cfp s LYS 28 Ca 0.34 -1.45 0.31 0.00 -0.36 0.00 0.00 55.97 54.81 1cfp s LYS 28 Cb 0.01 -0.88 1.18 0.00 -1.51 0.00 0.00 37.83 36.62 1cfp s LYS 28 CO 0.24 0.14 1.48 0.87 -0.36 0.00 0.00 175.35 177.73 1cfp h LYS 29 N 2.88 0.00 0.01 4.03 1.57 -1.92 0.27 116.57 123.41 1cfp h LYS 29 Ca -0.38 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.40 1cfp h LYS 29 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1cfp h LYS 29 CO 0.60 0.00 -0.01 0.77 -0.57 0.00 0.00 179.45 180.24 1cfp h SER 30 N 0.00 -0.02 0.31 0.86 0.02 -2.00 -2.95 113.55 109.78 1cfp h SER 30 Ca 0.50 -0.72 -0.07 0.00 -0.84 0.00 0.00 61.79 60.66 1cfp h SER 30 Cb 2.66 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 65.20 1cfp h SER 30 CO -0.01 0.82 -0.31 -0.33 -1.14 0.00 0.00 176.83 175.87 1cfp h GLU 31 N -0.96 0.00 0.73 3.45 5.08 -1.02 -2.83 114.58 119.04 1cfp h GLU 31 Ca -0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1cfp h GLU 31 Cb 0.74 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.99 1cfp h GLU 31 CO 0.00 0.31 -0.35 1.25 -1.00 0.00 0.00 179.01 179.22 1cfp h LEU 32 N 0.00 -0.83 -0.54 1.33 5.85 -0.78 -1.68 115.31 118.66 1cfp h LEU 32 Ca -0.00 0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.84 1cfp h LEU 32 Cb 0.55 0.21 -0.11 0.00 0.37 0.00 0.00 40.66 41.69 1cfp h LEU 32 CO 0.04 -0.46 -0.23 0.50 -0.34 0.00 0.00 178.44 177.95 1cfp h LYS 33 N -1.23 -0.09 -0.53 1.25 3.11 -1.48 0.14 116.57 117.73 1cfp h LYS 33 Ca -0.10 0.01 0.07 0.00 -2.81 0.00 0.00 60.65 57.82 1cfp h LYS 33 Cb 0.76 0.02 -0.10 0.00 -1.00 0.00 0.00 32.23 31.91 1cfp h LYS 33 CO 0.16 -0.06 -0.47 1.49 -2.81 0.00 0.00 179.45 177.76 1cfp h GLU 34 N -0.10 -0.27 -0.93 1.90 4.57 -1.44 0.56 114.58 118.88 1cfp h GLU 34 Ca 0.25 0.02 0.31 0.00 -1.18 0.00 0.00 59.36 58.76 1cfp h GLU 34 Cb 0.49 0.06 -0.17 0.00 -0.16 0.00 0.00 28.75 28.97 1cfp h GLU 34 CO -0.61 -0.18 0.22 -0.11 -1.18 0.00 0.00 179.01 177.16 1cfp n LEU 35 N -5.39 0.07 -0.07 1.64 0.00 0.43 0.63 117.00 114.32 1cfp n LEU 35 Ca -0.00 1.56 -0.09 0.00 0.00 0.00 0.00 56.01 57.48 1cfp n LEU 35 Cb 0.34 -0.65 -0.06 0.00 0.00 0.00 0.00 43.42 43.06 1cfp n LEU 35 CO -0.01 -1.65 -0.10 0.40 0.00 0.00 0.00 177.39 176.03 1cfp h ILE 36 N 0.00 0.63 -0.25 1.96 5.03 0.25 -3.33 117.51 121.79 1cfp h ILE 36 Ca 0.66 -1.58 0.07 0.00 -0.12 0.00 0.00 64.86 63.89 1cfp h ILE 36 Cb 1.55 1.29 -0.01 0.00 -3.03 0.00 0.00 36.82 36.62 1cfp h ILE 36 CO -0.80 0.21 0.31 -1.13 -0.68 0.00 0.00 178.15 176.06 1cfp h ASN 37 N -1.00 0.00 0.01 1.72 -0.00 0.83 1.82 115.58 118.96 1cfp h ASN 37 Ca -0.07 0.00 -0.20 0.00 -0.00 0.00 0.00 56.30 56.02 1cfp h ASN 37 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.97 1cfp h ASN 37 CO -0.04 0.00 -0.73 -1.13 -0.00 0.00 0.00 177.43 175.52 1cfp h ASN 38 N 0.00 0.75 0.00 1.15 -0.73 0.06 -3.38 115.58 113.43 1cfp h ASN 38 Ca 0.12 -0.48 -0.22 0.00 1.87 0.00 0.00 56.30 57.59 1cfp h ASN 38 Cb 0.74 -0.22 -0.04 0.00 0.27 0.00 0.00 38.32 39.07 1cfp h ASN 38 CO -0.00 1.25 -1.83 -0.62 -0.37 0.00 0.00 177.43 175.86 1cfp n GLU 39 N -3.90 1.37 -0.63 6.67 4.71 -0.53 -4.59 120.64 123.73 1cfp n GLU 39 Ca -0.06 0.03 -0.05 0.00 -0.01 0.00 0.00 57.16 57.07 1cfp n GLU 39 Cb 0.72 -1.30 -0.07 0.00 -1.01 0.00 0.00 31.44 29.77 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 -2.65 4.38 -0.09 -4.62 4.77 0.61 -4.55 117.00 114.86 1cfp n LEU 40 Ca -0.22 -2.38 0.25 0.00 -0.03 0.00 0.00 56.01 53.63 1cfp n LEU 40 Cb 0.84 -1.06 0.58 0.00 -2.33 0.00 0.00 43.42 41.45 1cfp n LEU 40 CO 0.21 1.09 1.23 0.28 -1.33 0.00 0.00 177.39 178.87 1cfp h SER 41 N 2.57 0.00 0.00 -1.43 0.02 -1.77 0.21 113.55 113.16 1cfp h SER 41 Ca 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1cfp h SER 41 Cb 1.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.59 1cfp h SER 41 CO 0.15 0.00 0.00 1.41 -1.14 0.00 0.00 176.83 177.25 1cfp n HIS 42 N -3.43 0.00 0.28 3.45 -0.00 -1.26 -2.99 115.22 111.27 1cfp n HIS 42 Ca 0.17 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 58.01 1cfp n HIS 42 Cb 1.15 0.00 0.68 0.00 -0.00 0.00 0.00 29.99 31.82 1cfp n HIS 42 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.34 176.69 1cfp h PHE 43 N 0.00 0.00 -0.95 4.41 3.04 -1.87 0.15 116.94 121.71 1cfp h PHE 43 Ca 0.00 0.00 0.27 0.00 3.98 0.00 0.00 57.97 62.22 1cfp h PHE 43 Cb 0.00 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 38.47 1cfp h PHE 43 CO 0.00 0.00 0.68 1.37 -2.02 0.00 0.00 178.31 178.34 1cfp h LEU 44 N 0.00 0.06 -1.05 0.59 8.10 -0.49 3.16 115.31 125.68 1cfp h LEU 44 Ca 0.00 0.01 -0.10 0.00 0.11 0.00 0.00 57.88 57.90 1cfp h LEU 44 Cb 0.63 -0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.83 1cfp h LEU 44 CO 0.00 0.02 -0.46 -0.33 -4.11 0.00 0.00 178.44 173.56 1cfp h GLU 45 N 0.05 0.00 0.00 0.17 4.39 -0.76 -3.45 114.58 114.98 1cfp h GLU 45 Ca 0.46 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.16 1cfp h GLU 45 Cb 1.76 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.41 1cfp h GLU 45 CO -0.03 0.46 0.00 -1.91 -1.16 0.00 0.00 179.01 176.37 1cfp n GLU 46 N -3.91 0.00 -0.52 2.33 4.07 1.05 -4.20 120.64 119.46 1cfp n GLU 46 Ca -0.01 0.00 0.44 0.00 -0.06 0.00 0.00 57.16 57.53 1cfp n GLU 46 Cb 0.49 0.00 0.72 0.00 -0.06 0.00 0.00 31.44 32.60 1cfp n GLU 46 CO 0.00 0.00 0.00 0.97 -0.06 0.00 0.00 177.13 178.04 1cfp h ILE 47 N 0.00 0.06 0.00 6.31 -0.00 -1.88 2.11 117.51 124.12 1cfp h ILE 47 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.86 1cfp h ILE 47 Cb 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 36.82 36.89 1cfp h ILE 47 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 178.15 179.32 1cfp n LYS 48 N -3.79 0.14 -3.25 2.19 3.00 -1.26 -3.75 118.16 111.45 1cfp n LYS 48 Ca 0.36 0.64 -0.16 0.00 -0.00 0.00 0.00 58.31 59.16 1cfp n LYS 48 Cb 1.78 -1.98 -0.06 0.00 0.00 0.00 0.00 35.03 34.77 1cfp n LYS 48 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1cfp s GLU 49 N -3.57 0.79 0.08 1.64 -1.05 0.72 -5.03 118.70 112.28 1cfp s GLU 49 Ca -0.02 -1.14 -0.35 0.00 -0.15 0.00 0.00 54.97 53.30 1cfp s GLU 49 Cb 0.06 -0.70 -0.18 0.00 -0.44 0.00 0.00 34.13 32.88 1cfp s GLU 49 CO 0.21 -1.26 1.59 1.96 0.95 0.00 0.00 175.26 178.70 1cfp h GLN 50 N 6.36 -0.99 -1.13 -4.83 4.20 -1.69 -0.00 115.11 117.03 1cfp h GLN 50 Ca 0.10 0.07 0.32 0.00 0.06 0.00 0.00 58.65 59.19 1cfp h GLN 50 Cb 1.04 0.23 -0.09 0.00 0.30 0.00 0.00 27.48 28.96 1cfp h GLN 50 CO 0.19 -0.66 0.75 1.49 -0.67 0.00 0.00 178.83 179.93 1cfp h GLU 51 N -1.03 0.25 -0.01 1.46 4.81 -1.95 1.16 114.58 119.27 1cfp h GLU 51 Ca -0.08 -0.01 -0.18 0.00 -0.13 0.00 0.00 59.36 58.96 1cfp h GLU 51 Cb 0.85 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.15 1cfp h GLU 51 CO 0.05 0.16 -0.80 0.28 -0.73 0.00 0.00 179.01 177.97 1cfp h VAL 52 N 0.25 1.51 0.00 0.32 2.07 -1.73 -2.34 116.25 116.33 1cfp h VAL 52 Ca 0.63 -2.56 -0.05 0.00 0.82 0.00 0.00 66.70 65.53 1cfp h VAL 52 Cb 1.88 2.40 -0.01 0.00 -1.52 0.00 0.00 31.29 34.04 1cfp h VAL 52 CO -0.26 0.74 -0.26 0.58 0.02 0.00 0.00 177.57 178.39 1cfp h VAL 53 N 0.06 1.14 -0.28 2.57 2.07 0.32 1.04 116.25 123.17 1cfp h VAL 53 Ca -0.02 -0.91 -0.14 0.00 0.82 0.00 0.00 66.70 66.45 1cfp h VAL 53 Cb 1.40 1.50 -0.00 0.00 -1.52 0.00 0.00 31.29 32.66 1cfp h VAL 53 CO 0.11 0.26 -0.36 -0.78 0.02 0.00 0.00 177.57 176.82 1cfp h ASP 54 N 0.00 0.81 0.06 0.57 3.58 -0.62 -2.61 116.42 118.21 1cfp h ASP 54 Ca -0.00 -0.50 -0.00 0.00 0.42 0.00 0.00 57.03 56.95 1cfp h ASP 54 Cb 0.48 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.30 1cfp h ASP 54 CO 0.03 1.14 -0.03 0.11 -2.88 0.00 0.00 179.24 177.62 1cfp h LYS 55 N 0.49 -0.08 -0.94 0.28 6.56 -0.83 -2.53 116.57 119.52 1cfp h LYS 55 Ca 0.04 0.01 0.29 0.00 -1.06 0.00 0.00 60.65 59.92 1cfp h LYS 55 Cb 0.95 0.02 -0.17 0.00 -0.57 0.00 0.00 32.23 32.45 1cfp h LYS 55 CO 0.09 -0.05 0.13 0.28 -2.06 0.00 0.00 179.45 177.83 1cfp n VAL 56 N -4.75 -0.40 -0.06 0.50 0.31 0.35 0.82 118.33 115.11 1cfp n VAL 56 Ca -0.01 2.04 -0.15 0.00 -0.01 0.00 0.00 64.34 66.21 1cfp n VAL 56 Cb 0.03 -3.05 -0.06 0.00 -0.91 0.00 0.00 33.84 29.85 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 0.65 0.47 5.55 2.86 -1.57 -2.53 114.93 120.36 1cfp h MET 57 Ca 0.62 -0.44 -0.02 0.00 -2.06 0.00 0.00 59.70 57.80 1cfp h MET 57 Cb 1.39 0.06 0.00 0.00 0.06 0.00 0.00 31.60 33.11 1cfp h MET 57 CO -0.85 1.06 -0.23 1.49 1.06 0.00 0.00 176.91 179.44 1cfp h GLU 58 N 0.34 -0.61 -0.21 1.72 4.57 0.87 -2.38 114.58 118.88 1cfp h GLU 58 Ca -0.00 0.04 0.06 0.00 -1.18 0.00 0.00 59.36 58.28 1cfp h GLU 58 Cb 1.07 0.14 -0.07 0.00 -0.16 0.00 0.00 28.75 29.73 1cfp h GLU 58 CO 0.10 -0.31 -0.28 1.15 -1.18 0.00 0.00 179.01 178.49 1cfp h THR 59 N -0.86 0.34 -0.81 0.32 2.02 -0.37 -0.99 112.91 112.56 1cfp h THR 59 Ca -0.06 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.28 1cfp h THR 59 Cb 0.58 0.34 -0.10 0.00 -1.74 0.00 0.00 68.15 67.22 1cfp h THR 59 CO 0.11 0.00 0.35 0.25 0.37 0.00 0.00 175.52 176.60 1cfp h LEU 60 N -0.31 0.35 -0.94 2.58 6.46 -1.46 2.16 115.31 124.16 1cfp h LEU 60 Ca 0.12 0.12 0.06 0.00 -0.12 0.00 0.00 57.88 58.05 1cfp h LEU 60 Cb 0.50 0.08 -0.06 0.00 -0.73 0.00 0.00 40.66 40.45 1cfp h LEU 60 CO -0.38 0.11 0.60 -0.78 -0.62 0.00 0.00 178.44 177.37 1cfp h ASP 61 N 0.48 0.97 0.52 1.25 3.58 -0.65 -2.74 116.42 119.83 1cfp h ASP 61 Ca 0.46 0.01 -0.26 0.00 0.42 0.00 0.00 57.03 57.66 1cfp h ASP 61 Cb 0.73 -0.20 -0.05 0.00 1.72 0.00 0.00 39.33 41.54 1cfp h ASP 61 CO -0.42 0.63 -1.66 -1.54 -2.88 0.00 0.00 179.24 173.36 1cfp n SER 62 N -4.54 0.83 -4.15 2.28 3.41 0.15 -4.24 113.62 107.37 1cfp n SER 62 Ca 0.14 0.39 -0.23 0.00 -0.26 0.00 0.00 58.87 58.91 1cfp n SER 62 Cb 0.16 0.05 -0.20 0.00 -0.26 0.00 0.00 64.21 63.95 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 -2.99 -1.12 -3.87 4.04 2.03 0.71 -0.88 116.55 114.47 1cfp n ASP 63 Ca -0.16 -0.41 -0.32 0.00 0.52 0.00 0.00 54.79 54.43 1cfp n ASP 63 Cb 1.00 -0.54 -0.06 0.00 -0.72 0.00 0.00 41.12 40.80 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 5.21 -0.37 1.87 0.27 0.00 -1.26 -4.42 105.19 106.49 1cfp n GLY 64 Ca 0.62 0.05 -0.22 0.00 0.00 0.00 0.00 46.02 46.48 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 -1.95 0.15 0.00 1.61 2.03 -0.06 0.25 116.55 118.58 1cfp n ASP 65 Ca 0.09 0.10 0.00 0.00 0.52 0.00 0.00 54.79 55.49 1cfp n ASP 65 Cb 0.41 -0.49 0.00 0.00 -0.72 0.00 0.00 41.12 40.31 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 3.47 1.90 2.85 0.27 0.00 -1.26 -5.01 105.19 107.40 1cfp n GLY 66 Ca 0.35 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.13 0.50 -0.90 1.61 2.12 0.69 -4.90 118.70 117.69 1cfp s GLU 67 Ca 0.00 -0.29 -0.19 0.00 0.36 0.00 0.00 54.97 54.85 1cfp s GLU 67 Cb 0.00 -0.49 0.13 0.00 0.26 0.00 0.00 34.13 34.03 1cfp s GLU 67 CO 0.00 -1.10 1.09 0.00 -0.54 0.00 0.00 175.26 174.71 1cfp s ASP 69 N 3.59 3.98 0.00 0.00 1.11 -1.26 0.47 116.67 124.55 1cfp s ASP 69 Ca 0.31 -0.32 0.00 0.00 0.18 0.00 0.00 52.55 52.71 1cfp s ASP 69 Cb -0.06 0.08 0.00 0.00 1.07 0.00 0.00 42.92 44.01 1cfp s ASP 69 CO -0.08 -2.13 0.35 0.49 1.18 0.00 0.00 175.17 174.99 1cfp n PHE 70 N -3.06 0.00 -0.16 4.23 3.72 -1.26 0.26 117.46 121.18 1cfp n PHE 70 Ca 0.16 0.00 0.28 0.00 -0.05 0.00 0.00 57.45 57.84 1cfp n PHE 70 Cb 0.60 0.00 0.56 0.00 -0.94 0.00 0.00 39.48 39.70 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 0.02 -1.08 -0.00 -1.97 0.85 115.11 112.93 1cfp h GLN 71 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.62 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 -0.12 0.93 -0.00 0.00 0.00 178.83 179.64 1cfp h GLU 72 N 0.00 0.04 -0.66 0.06 5.08 0.83 0.30 114.58 120.23 1cfp h GLU 72 Ca 0.44 -0.07 0.13 0.00 -1.00 0.00 0.00 59.36 58.86 1cfp h GLU 72 Cb 2.45 0.03 -0.10 0.00 0.50 0.00 0.00 28.75 31.63 1cfp h GLU 72 CO -0.00 1.03 0.14 0.35 -1.00 0.00 0.00 179.01 179.53 1cfp h PHE 73 N -0.92 0.22 0.00 4.33 3.04 1.05 0.38 116.94 125.04 1cfp h PHE 73 Ca -0.02 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 61.96 1cfp h PHE 73 Cb 1.09 0.01 -0.00 0.00 2.56 0.00 0.00 35.95 39.60 1cfp h PHE 73 CO 0.27 -0.06 -0.05 0.52 -2.02 0.00 0.00 178.31 176.97 1cfp h MET 74 N 0.26 0.00 0.55 1.11 2.86 -0.99 -2.66 114.93 116.05 1cfp h MET 74 Ca 0.36 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.97 1cfp h MET 74 Cb 0.57 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.23 1cfp h MET 74 CO -0.46 0.05 -0.26 0.00 1.06 0.00 0.00 176.91 177.30 1cfp h ALA 75 N 1.95 -0.85 0.01 6.32 0.00 0.36 -2.19 119.26 124.87 1cfp h ALA 75 Ca -0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1cfp h ALA 75 Cb 0.99 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1cfp h ALA 75 CO 0.01 -0.80 -0.01 0.35 0.00 0.00 0.00 179.25 178.80 1cfp h PHE 76 N -1.02 -0.01 -1.03 0.00 3.57 -1.36 0.52 116.94 117.60 1cfp h PHE 76 Ca -0.07 -0.00 0.31 0.00 3.53 0.00 0.00 57.97 61.73 1cfp h PHE 76 Cb 0.56 0.00 -0.14 0.00 2.79 0.00 0.00 35.95 39.17 1cfp h PHE 76 CO 0.03 0.27 0.61 -0.24 -2.23 0.00 0.00 178.31 176.74 1cfp h VAL 77 N -0.30 0.36 0.00 1.41 3.04 -1.58 1.87 116.25 121.05 1cfp h VAL 77 Ca -0.00 -0.13 -0.21 0.00 -1.01 0.00 0.00 66.70 65.36 1cfp h VAL 77 Cb 0.29 -0.04 -0.03 0.00 -2.01 0.00 0.00 31.29 29.50 1cfp h VAL 77 CO 0.00 0.07 -0.98 0.00 -1.01 0.00 0.00 177.57 175.65 1cfp h ALA 78 N 1.78 0.37 -0.65 3.17 0.00 -0.91 -2.84 119.26 120.18 1cfp h ALA 78 Ca 0.71 -0.89 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 1cfp h ALA 78 Cb 1.64 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 1cfp h ALA 78 CO -0.53 1.22 0.07 1.98 0.00 0.00 0.00 179.25 181.99 1cfp h MET 79 N 0.00 1.11 0.34 0.00 -1.53 0.79 -1.47 114.93 114.17 1cfp h MET 79 Ca -0.01 -0.32 -0.02 0.00 -3.44 0.00 0.00 59.70 55.92 1cfp h MET 79 Cb 1.74 -0.12 0.00 0.00 -0.55 0.00 0.00 31.60 32.68 1cfp h MET 79 CO 0.13 1.03 -0.17 0.82 0.14 0.00 0.00 176.91 178.86 1cfp h ILE 80 N 1.02 0.00 -0.03 1.77 1.08 -0.42 -3.09 117.51 117.84 1cfp h ILE 80 Ca 0.19 -0.46 0.01 0.00 -0.39 0.00 0.00 64.86 64.21 1cfp h ILE 80 Cb 0.49 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.23 1cfp h ILE 80 CO 0.02 0.00 0.49 0.74 -0.69 0.00 0.00 178.15 178.71 1cfp h THR 81 N -0.93 0.01 -0.04 -0.27 2.02 -1.55 0.77 112.91 112.93 1cfp h THR 81 Ca -0.05 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1cfp h THR 81 Cb 0.35 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1cfp h THR 81 CO 0.08 0.00 0.00 0.35 0.37 0.00 0.00 175.52 176.32 1cfp n THR 82 N -2.84 0.12 -0.01 3.16 -2.24 -0.55 -3.22 114.28 108.69 1cfp n THR 82 Ca -0.01 -0.07 -0.04 0.00 -2.27 0.00 0.00 64.05 61.66 1cfp n THR 82 Cb 0.54 -0.29 -0.12 0.00 -2.10 0.00 0.00 70.33 68.36 1cfp n THR 82 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cfp n ALA 83 N -0.12 1.73 -1.00 6.98 0.00 0.27 -4.51 120.51 123.85 1cfp n ALA 83 Ca 0.02 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.70 1cfp n ALA 83 Cb 0.20 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 18.87 1cfp n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cfp n HIS 85 N 0.00 0.00 -0.89 0.00 -0.00 -1.26 -5.14 115.22 107.93 1cfp n HIS 85 Ca 0.00 0.00 -0.36 0.00 0.46 0.00 0.00 57.72 57.82 1cfp n HIS 85 Cb 0.00 0.00 0.08 0.00 -0.12 0.00 0.00 29.99 29.95 1cfp n HIS 85 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1cfp n GLU 86 N 0.00 -0.45 0.00 1.57 -0.58 -1.26 -4.39 120.64 115.53 1cfp n GLU 86 Ca 0.00 -0.12 0.00 0.00 -0.42 0.00 0.00 57.16 56.62 1cfp n GLU 86 Cb 0.00 -1.29 0.00 0.00 -0.57 0.00 0.00 31.44 29.58 1cfp n GLU 86 CO 0.00 0.00 0.00 1.97 -0.48 0.00 0.00 177.13 178.62 1cfp n PHE 87 N -3.53 0.00 -2.46 -0.32 -1.74 -1.26 -4.41 117.46 103.73 1cfp n PHE 87 Ca -0.00 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 56.76 1cfp n PHE 87 Cb 0.65 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.63 1cfp n PHE 87 CO 0.00 0.00 0.00 1.19 -0.56 0.00 0.00 176.76 177.39 1cfp n PHE 88 N 0.00 -0.36 -2.80 2.97 3.01 -1.26 -4.81 117.46 114.21 1cfp n PHE 88 Ca 0.00 0.21 -0.40 0.00 1.01 0.00 0.00 57.45 58.27 1cfp n PHE 88 Cb 0.00 -0.58 -0.05 0.00 -0.01 0.00 0.00 39.48 38.83 1cfp n PHE 88 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1cfp s GLU 89 N -2.98 4.72 -0.25 -1.08 0.41 -1.26 -4.44 118.70 113.81 1cfp s GLU 89 Ca 0.24 1.38 -0.03 0.00 -0.41 0.00 0.00 54.97 56.16 1cfp s GLU 89 Cb -0.14 -3.32 0.00 0.00 -1.78 0.00 0.00 34.13 28.89 1cfp s GLU 89 CO 0.31 0.40 0.08 1.58 -0.49 0.00 0.00 175.26 177.14 1cfp n HIS 90 N 2.10 -2.91 0.00 1.61 -0.00 -1.26 -5.13 115.22 109.62 1cfp n HIS 90 Ca -0.01 1.27 0.00 0.00 0.46 0.00 0.00 57.72 59.44 1cfp n HIS 90 Cb 0.48 -3.19 0.00 0.00 -0.12 0.00 0.00 29.99 27.17 1cfp n HIS 90 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95