#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 0.00 -0.53 3.17 3.41 -1.26 0.54 113.62 118.95 1cfp n SER 1 Ca 0.00 0.87 0.45 0.00 -0.26 0.00 0.00 58.87 59.93 1cfp n SER 1 Cb 0.00 -0.38 0.76 0.00 -0.26 0.00 0.00 64.21 64.32 1cfp n SER 1 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1cfp h GLU 2 N 0.00 0.00 0.24 4.33 4.81 -2.04 0.28 114.58 122.19 1cfp h GLU 2 Ca 0.73 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.95 1cfp h GLU 2 Cb 3.35 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 32.72 1cfp h GLU 2 CO -0.01 0.00 -0.15 1.25 -0.73 0.00 0.00 179.01 179.38 1cfp h LEU 3 N 0.00 -0.37 -0.80 1.64 6.46 -0.34 0.61 115.31 122.51 1cfp h LEU 3 Ca 0.77 0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 58.52 1cfp h LEU 3 Cb 3.22 0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 43.22 1cfp h LEU 3 CO -0.01 -0.23 0.40 -0.08 -0.62 0.00 0.00 178.44 177.91 1cfp h GLU 4 N -0.36 1.14 0.00 1.25 4.57 -1.01 0.14 114.58 120.31 1cfp h GLU 4 Ca -0.03 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 57.99 1cfp h GLU 4 Cb 0.29 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 1cfp h GLU 4 CO 0.03 0.87 0.00 0.87 -1.18 0.00 0.00 179.01 179.61 1cfp h LYS 5 N 1.13 0.00 0.10 1.92 1.79 -0.46 -0.60 116.57 120.44 1cfp h LYS 5 Ca 0.28 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.60 1cfp h LYS 5 Cb 0.10 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.76 1cfp h LYS 5 CO -0.04 0.00 -0.69 0.00 -1.08 0.00 0.00 179.45 177.64 1cfp h ALA 6 N 2.00 -0.02 -0.91 3.86 0.00 0.31 -2.38 119.26 122.11 1cfp h ALA 6 Ca 0.00 -0.71 0.15 0.00 0.00 0.00 0.00 54.91 54.35 1cfp h ALA 6 Cb 0.00 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.86 1cfp h ALA 6 CO 0.00 0.35 0.59 -0.24 0.00 0.00 0.00 179.25 179.94 1cfp h VAL 7 N -0.55 0.81 -0.43 0.00 3.04 -0.69 0.78 116.25 119.21 1cfp h VAL 7 Ca -0.13 -0.24 -0.11 0.00 -1.01 0.00 0.00 66.70 65.21 1cfp h VAL 7 Cb 1.48 0.06 -0.02 0.00 -2.01 0.00 0.00 31.29 30.80 1cfp h VAL 7 CO 0.09 0.13 -0.19 0.58 -1.01 0.00 0.00 177.57 177.17 1cfp h VAL 8 N 0.70 1.27 -0.35 1.51 2.07 -1.40 -1.89 116.25 118.15 1cfp h VAL 8 Ca 0.47 -1.30 0.02 0.00 0.82 0.00 0.00 66.70 66.71 1cfp h VAL 8 Cb 0.77 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1cfp h VAL 8 CO -0.23 0.44 0.23 0.00 0.02 0.00 0.00 177.57 178.04 1cfp h ALA 9 N 1.05 1.83 0.38 1.67 0.00 0.10 -2.65 119.26 121.66 1cfp h ALA 9 Ca 0.11 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1cfp h ALA 9 Cb 0.71 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1cfp h ALA 9 CO 0.05 0.13 -0.18 -0.07 0.00 0.00 0.00 179.25 179.18 1cfp h LEU 10 N 0.40 -0.44 -1.10 0.00 3.38 -0.21 0.88 115.31 118.22 1cfp h LEU 10 Ca 0.14 0.02 0.37 0.00 0.09 0.00 0.00 57.88 58.49 1cfp h LEU 10 Cb 0.06 0.11 -0.10 0.00 0.09 0.00 0.00 40.66 40.82 1cfp h LEU 10 CO -0.03 -0.22 0.72 2.30 0.09 0.00 0.00 178.44 181.31 1cfp n ILE 11 N -3.92 -0.17 0.01 1.22 -5.35 -0.94 0.32 119.36 110.53 1cfp n ILE 11 Ca -0.06 1.33 -0.09 0.00 -0.27 0.00 0.00 62.75 63.66 1cfp n ILE 11 Cb 0.20 -2.19 -0.07 0.00 -1.74 0.00 0.00 39.64 35.85 1cfp n ILE 11 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 1cfp h ASP 12 N 0.00 -0.12 0.71 7.28 3.32 -1.24 -1.02 116.42 125.34 1cfp h ASP 12 Ca 0.67 -0.38 -0.03 0.00 0.02 0.00 0.00 57.03 57.31 1cfp h ASP 12 Cb 2.24 0.03 0.01 0.00 0.22 0.00 0.00 39.33 41.83 1cfp h ASP 12 CO -0.31 0.50 -0.34 0.58 -1.72 0.00 0.00 179.24 177.95 1cfp h VAL 13 N -0.94 0.00 -0.80 -1.35 2.07 0.76 -2.73 116.25 113.25 1cfp h VAL 13 Ca -0.01 -0.02 0.19 0.00 0.82 0.00 0.00 66.70 67.68 1cfp h VAL 13 Cb 0.49 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.13 1cfp h VAL 13 CO 0.02 0.00 0.13 0.15 0.02 0.00 0.00 177.57 177.89 1cfp h PHE 14 N -0.97 0.16 -1.01 1.57 3.57 0.42 1.05 116.94 121.74 1cfp h PHE 14 Ca -0.10 0.05 0.32 0.00 3.53 0.00 0.00 57.97 61.78 1cfp h PHE 14 Cb 0.73 0.05 -0.15 0.00 2.79 0.00 0.00 35.95 39.38 1cfp h PHE 14 CO 0.07 -0.20 0.58 1.25 -2.23 0.00 0.00 178.31 177.78 1cfp h HIS 15 N 0.17 0.92 0.00 0.41 -0.00 -0.89 0.14 115.15 115.91 1cfp h HIS 15 Ca 0.47 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.88 1cfp h HIS 15 Cb 0.87 -0.24 0.00 0.00 -0.00 0.00 0.00 27.41 28.04 1cfp h HIS 15 CO -0.33 -0.16 0.00 1.04 -0.00 0.00 0.00 177.93 178.47 1cfp n GLN 16 N -5.03 0.00 -0.07 5.26 6.02 0.35 -1.50 117.38 122.42 1cfp n GLN 16 Ca 0.32 0.44 -0.02 0.00 -0.01 0.00 0.00 57.00 57.73 1cfp n GLN 16 Cb 0.99 -1.04 -0.02 0.00 1.02 0.00 0.00 30.24 31.19 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 -1.82 -0.07 1.15 1.08 4.02 -0.49 0.27 117.16 121.31 1cfp n TYR 17 Ca 0.00 0.20 0.01 0.00 -0.01 0.00 0.00 57.90 58.09 1cfp n TYR 17 Cb 0.00 -0.48 0.03 0.00 -0.02 0.00 0.00 39.34 38.87 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 -3.30 1.04 -1.38 7.72 7.64 0.45 -3.70 113.62 122.10 1cfp n SER 18 Ca 0.00 -2.05 -0.05 0.00 1.01 0.00 0.00 58.87 57.78 1cfp n SER 18 Cb 0.04 -0.36 -0.02 0.00 -1.01 0.00 0.00 64.21 62.85 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 0.22 0.85 0.17 0.23 0.00 0.24 -3.12 105.19 103.78 1cfp n GLY 19 Ca 0.02 -0.13 0.03 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.24 1.40 0.00 1.61 1.85 0.78 -4.57 116.66 117.48 1cfp n ARG 20 Ca -0.23 -0.60 0.00 0.00 -1.00 0.00 0.00 57.85 56.02 1cfp n ARG 20 Cb 0.77 -1.01 0.00 0.00 -1.05 0.00 0.00 32.46 31.18 1cfp n ARG 20 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 1cfp n GLU 21 N -0.09 0.00 0.00 2.89 0.28 -1.26 -5.04 120.64 117.42 1cfp n GLU 21 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.03 1cfp n GLU 21 Cb 0.13 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.00 1cfp n GLU 21 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1cfp n GLY 22 N 2.50 0.25 3.75 -1.84 0.00 -1.26 -5.04 105.19 103.55 1cfp n GLY 22 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.74 4.42 -0.02 1.61 1.11 -1.26 -5.01 116.67 115.78 1cfp s ASP 23 Ca 0.00 1.97 -0.01 0.00 0.18 0.00 0.00 52.55 54.68 1cfp s ASP 23 Cb 0.00 -2.54 -0.00 0.00 1.07 0.00 0.00 42.92 41.44 1cfp s ASP 23 CO 0.00 -2.10 -0.02 1.17 1.18 0.00 0.00 175.17 175.40 1cfp n LYS 24 N -3.26 0.05 -3.04 8.23 3.00 -1.25 -4.32 118.16 117.57 1cfp n LYS 24 Ca 0.10 0.18 -0.17 0.00 -0.00 0.00 0.00 58.31 58.42 1cfp n LYS 24 Cb 0.52 -0.75 -0.02 0.00 0.00 0.00 0.00 35.03 34.79 1cfp n LYS 24 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1cfp n HIS 25 N -2.56 0.71 -3.98 5.64 8.25 -1.18 -4.12 115.22 117.98 1cfp n HIS 25 Ca -0.01 -3.58 -0.09 0.00 -0.26 0.00 0.00 57.72 53.78 1cfp n HIS 25 Cb 0.04 -0.41 -0.05 0.00 1.12 0.00 0.00 29.99 30.69 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 -2.68 1.56 0.08 -0.41 2.20 -1.25 -4.05 119.74 115.19 1cfp s LYS 26 Ca 0.38 -1.23 0.06 0.00 -0.36 0.00 0.00 55.97 54.82 1cfp s LYS 26 Cb 0.37 0.48 -0.03 0.00 -1.51 0.00 0.00 37.83 37.14 1cfp s LYS 26 CO -0.06 -0.65 -0.16 -0.51 -0.36 0.00 0.00 175.35 173.61 1cfp s LEU 27 N -3.01 2.29 0.19 5.43 1.43 0.54 -3.86 118.68 121.69 1cfp s LEU 27 Ca 0.21 -0.65 0.04 0.00 -1.03 0.00 0.00 54.13 52.71 1cfp s LEU 27 Cb -0.01 -0.62 -0.03 0.00 0.03 0.00 0.00 46.19 45.55 1cfp s LEU 27 CO 0.09 -0.04 0.26 -0.54 0.23 0.00 0.00 176.35 176.34 1cfp s LYS 28 N -1.84 3.24 0.60 1.70 1.02 -1.26 -1.68 119.74 121.52 1cfp s LYS 28 Ca 0.01 -0.77 0.29 0.00 0.02 0.00 0.00 55.97 55.52 1cfp s LYS 28 Cb -0.10 -2.82 1.16 0.00 -0.52 0.00 0.00 37.83 35.56 1cfp s LYS 28 CO 0.03 0.47 1.52 0.87 -0.92 0.00 0.00 175.35 177.32 1cfp h LYS 29 N 1.87 0.00 0.08 1.68 1.57 -1.93 0.34 116.57 120.18 1cfp h LYS 29 Ca -0.49 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1cfp h LYS 29 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1cfp h LYS 29 CO 0.64 0.00 -0.04 0.77 -0.57 0.00 0.00 179.45 180.26 1cfp h SER 30 N 0.00 -0.09 -0.39 0.86 0.02 -1.98 -3.06 113.55 108.90 1cfp h SER 30 Ca 0.43 -0.47 0.10 0.00 -0.84 0.00 0.00 61.79 61.01 1cfp h SER 30 Cb 2.40 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 64.95 1cfp h SER 30 CO -0.00 0.58 0.27 -0.33 -1.14 0.00 0.00 176.83 176.21 1cfp h GLU 31 N -0.92 0.06 0.15 3.45 4.39 -0.77 -2.29 114.58 118.64 1cfp h GLU 31 Ca -0.01 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 1cfp h GLU 31 Cb 0.55 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1cfp h GLU 31 CO 0.02 0.04 -0.07 -0.07 -1.16 0.00 0.00 179.01 177.76 1cfp h LEU 32 N 0.06 -0.18 -0.61 1.33 3.38 -1.09 0.14 115.31 118.33 1cfp h LEU 32 Ca 0.18 0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.27 1cfp h LEU 32 Cb 0.66 0.05 -0.12 0.00 0.09 0.00 0.00 40.66 41.34 1cfp h LEU 32 CO -0.01 -0.12 -0.34 0.11 0.09 0.00 0.00 178.44 178.16 1cfp h LYS 33 N -0.20 -0.15 -1.00 1.13 1.79 -1.39 1.58 116.57 118.33 1cfp h LYS 33 Ca -0.02 0.01 0.27 0.00 -2.18 0.00 0.00 60.65 58.73 1cfp h LYS 33 Cb 0.16 0.03 -0.13 0.00 -1.58 0.00 0.00 32.23 30.71 1cfp h LYS 33 CO 0.03 -0.10 0.58 1.49 -1.08 0.00 0.00 179.45 180.37 1cfp h GLU 34 N -0.16 0.47 -0.39 3.15 4.81 -1.34 1.64 114.58 122.77 1cfp h GLU 34 Ca 0.24 -0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.52 1cfp h GLU 34 Cb 0.55 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 1cfp h GLU 34 CO -0.70 0.31 0.27 1.25 -0.73 0.00 0.00 179.01 179.42 1cfp h LEU 35 N 0.49 0.16 0.12 1.64 6.46 0.52 1.17 115.31 125.87 1cfp h LEU 35 Ca 0.68 0.00 -0.34 0.00 -0.12 0.00 0.00 57.88 58.10 1cfp h LEU 35 Cb 1.38 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 41.27 1cfp h LEU 35 CO -0.52 0.10 -1.80 0.40 -0.62 0.00 0.00 178.44 176.00 1cfp h ILE 36 N 0.18 0.76 -0.05 4.05 1.08 0.29 -3.20 117.51 120.62 1cfp h ILE 36 Ca 0.18 -2.36 -0.17 0.00 -0.39 0.00 0.00 64.86 62.11 1cfp h ILE 36 Cb 0.48 2.55 -0.01 0.00 -3.07 0.00 0.00 36.82 36.77 1cfp h ILE 36 CO -0.03 0.81 -0.73 0.78 -0.69 0.00 0.00 178.15 178.29 1cfp h ASN 37 N -0.08 0.33 1.63 1.72 4.21 -0.08 2.42 115.58 125.72 1cfp h ASN 37 Ca -0.39 -0.22 0.00 0.00 1.21 0.00 0.00 56.30 56.90 1cfp h ASN 37 Cb 1.94 -0.10 0.00 0.00 -1.12 0.00 0.00 38.32 39.04 1cfp h ASN 37 CO 0.07 0.94 -0.20 0.78 -1.29 0.00 0.00 177.43 177.74 1cfp h ASN 38 N 0.18 0.00 0.00 5.81 4.21 0.12 -3.33 115.58 122.57 1cfp h ASN 38 Ca -0.03 -0.02 -0.04 0.00 1.21 0.00 0.00 56.30 57.43 1cfp h ASN 38 Cb 1.29 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.48 1cfp h ASN 38 CO 0.12 0.01 -0.77 -0.62 -1.29 0.00 0.00 177.43 174.88 1cfp n GLU 39 N -2.74 0.08 -2.54 0.81 -0.58 -1.19 -4.81 120.64 109.67 1cfp n GLU 39 Ca 0.04 0.03 -0.42 0.00 -0.42 0.00 0.00 57.16 56.39 1cfp n GLU 39 Cb 0.50 -0.63 0.01 0.00 -0.57 0.00 0.00 31.44 30.74 1cfp n GLU 39 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1cfp n LEU 40 N -3.37 6.81 -0.41 -4.62 4.32 0.81 -4.81 117.00 115.74 1cfp n LEU 40 Ca -0.05 -4.93 0.39 0.00 -0.02 0.00 0.00 56.01 51.40 1cfp n LEU 40 Cb 0.35 -1.37 0.61 0.00 -1.62 0.00 0.00 43.42 41.40 1cfp n LEU 40 CO 0.01 1.62 1.36 -1.28 -1.22 0.00 0.00 177.39 177.88 1cfp h SER 41 N 5.38 0.00 -0.90 -1.43 0.87 -1.65 0.10 113.55 115.91 1cfp h SER 41 Ca 0.38 0.00 0.25 0.00 -1.23 0.00 0.00 61.79 61.19 1cfp h SER 41 Cb 0.56 0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 62.37 1cfp h SER 41 CO 1.48 0.00 0.21 0.45 -0.53 0.00 0.00 176.83 178.44 1cfp h HIS 42 N 0.00 0.30 0.00 2.24 3.86 -1.87 1.97 115.15 121.65 1cfp h HIS 42 Ca 0.67 0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.94 1cfp h HIS 42 Cb 3.22 0.01 0.00 0.00 1.06 0.00 0.00 27.41 31.71 1cfp h HIS 42 CO 0.00 -0.27 0.00 1.19 0.86 0.00 0.00 177.93 179.71 1cfp n PHE 43 N -5.28 0.81 -0.32 2.45 3.72 0.36 -2.41 117.46 116.80 1cfp n PHE 43 Ca 0.23 0.26 0.21 0.00 -0.05 0.00 0.00 57.45 58.09 1cfp n PHE 43 Cb 0.74 -0.92 0.48 0.00 -0.94 0.00 0.00 39.48 38.83 1cfp n PHE 43 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1cfp h LEU 44 N 0.00 0.50 0.03 4.37 5.85 0.31 0.47 115.31 126.84 1cfp h LEU 44 Ca 0.00 0.08 -0.32 0.00 0.84 0.00 0.00 57.88 58.49 1cfp h LEU 44 Cb 0.60 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.59 1cfp h LEU 44 CO 0.00 0.12 -1.85 -0.62 -0.34 0.00 0.00 178.44 175.75 1cfp n GLU 45 N -4.65 0.67 0.00 1.25 4.71 -1.13 -4.93 120.64 116.56 1cfp n GLU 45 Ca 0.24 0.26 0.00 0.00 -0.01 0.00 0.00 57.16 57.66 1cfp n GLU 45 Cb 0.81 -1.75 0.00 0.00 -1.01 0.00 0.00 31.44 29.49 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 -3.13 0.00 -0.37 3.49 2.13 0.16 -4.31 120.64 118.62 1cfp n GLU 46 Ca -0.22 0.00 0.31 0.00 0.66 0.00 0.00 57.16 57.90 1cfp n GLU 46 Cb 1.06 0.00 0.57 0.00 0.27 0.00 0.00 31.44 33.34 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 0.16 -1.32 6.31 6.09 -1.87 0.19 117.51 127.08 1cfp h ILE 47 Ca 0.00 -0.05 0.38 0.00 -1.37 0.00 0.00 64.86 63.82 1cfp h ILE 47 Cb 0.00 -0.00 -0.05 0.00 0.47 0.00 0.00 36.82 37.23 1cfp h ILE 47 CO 0.00 0.03 1.25 0.29 -3.07 0.00 0.00 178.15 176.65 1cfp n LYS 48 N -4.95 0.01 -3.41 2.19 4.01 -1.26 -2.54 118.16 112.21 1cfp n LYS 48 Ca 0.35 1.01 -0.27 0.00 -0.51 0.00 0.00 58.31 58.89 1cfp n LYS 48 Cb 1.23 -2.44 -0.11 0.00 -0.51 0.00 0.00 35.03 33.20 1cfp n LYS 48 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 1cfp s GLU 49 N -4.50 0.72 0.05 1.97 -1.05 0.66 -5.02 118.70 111.53 1cfp s GLU 49 Ca -0.03 -1.65 -0.29 0.00 -0.15 0.00 0.00 54.97 52.85 1cfp s GLU 49 Cb 0.18 -1.28 -0.16 0.00 -0.44 0.00 0.00 34.13 32.43 1cfp s GLU 49 CO 0.59 -1.29 1.43 1.96 0.95 0.00 0.00 175.26 178.90 1cfp h GLN 50 N 6.34 -1.02 -0.88 -4.83 4.20 -1.67 0.38 115.11 117.62 1cfp h GLN 50 Ca 0.16 0.07 0.23 0.00 0.06 0.00 0.00 58.65 59.17 1cfp h GLN 50 Cb 0.95 0.23 -0.14 0.00 0.30 0.00 0.00 27.48 28.83 1cfp h GLN 50 CO 0.30 -0.68 0.28 1.49 -0.67 0.00 0.00 178.83 179.55 1cfp h GLU 51 N -1.07 0.24 -0.04 1.46 4.81 -1.95 0.12 114.58 118.16 1cfp h GLU 51 Ca -0.11 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 1cfp h GLU 51 Cb 0.81 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.14 1cfp h GLU 51 CO 0.18 0.16 -0.03 0.28 -0.73 0.00 0.00 179.01 178.86 1cfp h VAL 52 N 0.25 1.37 -1.17 0.32 2.07 -1.76 -1.72 116.25 115.61 1cfp h VAL 52 Ca 0.56 -1.14 0.33 0.00 0.82 0.00 0.00 66.70 67.27 1cfp h VAL 52 Cb 1.12 2.05 -0.07 0.00 -1.52 0.00 0.00 31.29 32.87 1cfp h VAL 52 CO -0.62 0.31 0.81 0.58 0.02 0.00 0.00 177.57 178.66 1cfp h VAL 53 N -0.35 0.42 -0.13 2.57 2.07 0.19 2.39 116.25 123.41 1cfp h VAL 53 Ca 0.01 -0.04 -0.18 0.00 0.82 0.00 0.00 66.70 67.30 1cfp h VAL 53 Cb 0.51 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1cfp h VAL 53 CO 0.01 0.02 -0.67 -0.78 0.02 0.00 0.00 177.57 176.17 1cfp h ASP 54 N 0.13 0.60 0.00 0.57 3.58 -0.29 -2.45 116.42 118.56 1cfp h ASP 54 Ca 0.60 -0.36 0.00 0.00 0.42 0.00 0.00 57.03 57.69 1cfp h ASP 54 Cb 2.08 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.96 1cfp h ASP 54 CO -0.12 1.10 -0.06 0.11 -2.88 0.00 0.00 179.24 177.39 1cfp h LYS 55 N 0.37 0.00 -1.28 0.28 1.79 0.42 -2.23 116.57 115.92 1cfp h LYS 55 Ca -0.02 0.00 0.46 0.00 -2.18 0.00 0.00 60.65 58.91 1cfp h LYS 55 Cb 1.24 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 31.74 1cfp h LYS 55 CO 0.12 0.00 0.80 0.28 -1.08 0.00 0.00 179.45 179.57 1cfp n VAL 56 N -4.28 -0.29 0.10 0.50 0.31 0.44 0.23 118.33 115.34 1cfp n VAL 56 Ca -0.01 1.85 -0.16 0.00 -0.01 0.00 0.00 64.34 66.01 1cfp n VAL 56 Cb 0.03 -3.02 -0.12 0.00 -0.91 0.00 0.00 33.84 29.82 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 0.33 -0.87 5.55 2.86 -1.53 -2.47 114.93 118.80 1cfp h MET 57 Ca 0.87 -0.50 0.22 0.00 -2.06 0.00 0.00 59.70 58.22 1cfp h MET 57 Cb 2.68 0.18 -0.05 0.00 0.06 0.00 0.00 31.60 34.46 1cfp h MET 57 CO -0.54 1.22 0.59 1.05 1.06 0.00 0.00 176.91 180.29 1cfp h GLU 58 N 0.11 0.24 0.00 1.72 -0.00 0.36 -1.12 114.58 115.89 1cfp h GLU 58 Ca -0.13 -0.01 -0.12 0.00 -0.00 0.00 0.00 59.36 59.09 1cfp h GLU 58 Cb 1.91 -0.05 -0.02 0.00 -0.00 0.00 0.00 28.75 30.59 1cfp h GLU 58 CO 0.20 0.16 -0.92 2.41 -0.00 0.00 0.00 179.01 180.87 1cfp n THR 59 N -4.43 1.48 -0.34 -1.06 -1.04 -0.98 -3.93 114.28 103.97 1cfp n THR 59 Ca 0.18 0.09 0.28 0.00 -2.04 0.00 0.00 64.05 62.56 1cfp n THR 59 Cb 0.77 -2.21 0.54 0.00 -1.82 0.00 0.00 70.33 67.60 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 -1.00 0.41 -0.21 -4.42 6.46 -1.20 2.45 115.31 117.81 1cfp h LEU 60 Ca -0.18 0.21 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 1cfp h LEU 60 Cb 0.92 0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 41.03 1cfp h LEU 60 CO -0.11 -0.26 0.13 -0.78 -0.62 0.00 0.00 178.44 176.80 1cfp h ASP 61 N 0.17 0.24 0.00 1.25 3.58 -1.37 -3.35 116.42 116.94 1cfp h ASP 61 Ca 0.79 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 58.22 1cfp h ASP 61 Cb 1.98 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.97 1cfp h ASP 61 CO -0.65 0.19 -0.51 -1.20 -2.88 0.00 0.00 179.24 174.18 1cfp n SER 62 N -4.93 1.63 0.00 2.28 7.64 0.23 -4.67 113.62 115.79 1cfp n SER 62 Ca -0.03 0.56 0.00 0.00 1.01 0.00 0.00 58.87 60.40 1cfp n SER 62 Cb 0.03 -0.82 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 1cfp n SER 62 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1cfp n ASP 63 N -4.34 0.00 -0.42 6.43 -0.08 0.76 0.29 116.55 119.19 1cfp n ASP 63 Ca -0.07 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.32 1cfp n ASP 63 Cb 0.27 0.00 0.48 0.00 2.34 0.00 0.00 41.12 44.20 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 0.00 -0.06 3.34 0.27 0.00 -1.26 -4.96 105.19 102.52 1cfp n GLY 64 Ca 0.00 -0.37 -0.17 0.00 0.00 0.00 0.00 46.02 45.49 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 0.03 -6.47 -0.39 1.61 2.03 0.85 -1.98 116.55 112.24 1cfp n ASP 65 Ca 0.17 -0.25 -0.05 0.00 0.52 0.00 0.00 54.79 55.18 1cfp n ASP 65 Cb 0.28 -3.50 -0.02 0.00 -0.72 0.00 0.00 41.12 37.16 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 -1.16 0.73 2.48 0.27 0.00 -1.26 -4.90 105.19 101.35 1cfp n GLY 66 Ca -0.09 -0.36 -0.14 0.00 0.00 0.00 0.00 46.02 45.42 1cfp n GLY 66 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1cfp n GLU 67 N -2.13 0.94 -2.94 1.61 2.13 -0.84 -4.97 120.64 114.44 1cfp n GLU 67 Ca -0.05 -2.57 -0.44 0.00 0.66 0.00 0.00 57.16 54.76 1cfp n GLU 67 Cb 0.26 -1.35 -0.02 0.00 0.27 0.00 0.00 31.44 30.59 1cfp n GLU 67 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1cfp s ASP 69 N 3.42 5.19 0.00 0.00 -1.08 -1.26 0.20 116.67 123.14 1cfp s ASP 69 Ca 0.35 0.00 0.00 0.00 -0.52 0.00 0.00 52.55 52.38 1cfp s ASP 69 Cb -0.04 -0.84 0.00 0.00 -1.46 0.00 0.00 42.92 40.58 1cfp s ASP 69 CO -0.07 -1.22 0.00 0.49 0.52 0.00 0.00 175.17 174.89 1cfp n PHE 70 N -2.42 0.00 0.13 -5.34 3.01 -1.26 0.29 117.46 111.88 1cfp n PHE 70 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.54 1cfp n PHE 70 Cb 0.60 -0.30 0.06 0.00 -0.01 0.00 0.00 39.48 39.83 1cfp n PHE 70 CO 0.00 0.00 0.00 -0.56 1.01 0.00 0.00 176.76 177.21 1cfp h GLN 71 N 0.00 0.00 -0.41 -1.08 -0.00 -1.96 -3.24 115.11 108.42 1cfp h GLN 71 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 58.65 58.53 1cfp h GLN 71 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.47 1cfp h GLN 71 CO 0.00 0.63 -0.21 0.93 -0.00 0.00 0.00 178.83 180.18 1cfp h GLU 72 N 0.00 0.82 -0.38 0.06 5.08 0.41 0.21 114.58 120.78 1cfp h GLU 72 Ca -0.01 -0.33 -0.05 0.00 -1.00 0.00 0.00 59.36 57.97 1cfp h GLU 72 Cb 1.37 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.57 1cfp h GLU 72 CO 0.08 0.95 0.03 0.35 -1.00 0.00 0.00 179.01 179.42 1cfp h PHE 73 N 0.71 0.70 -0.20 4.33 3.57 -1.56 0.13 116.94 124.61 1cfp h PHE 73 Ca 0.10 -0.11 -0.06 0.00 3.53 0.00 0.00 57.97 61.43 1cfp h PHE 73 Cb 0.73 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 1cfp h PHE 73 CO 0.04 0.71 -0.16 0.52 -2.23 0.00 0.00 178.31 177.20 1cfp h MET 74 N 0.48 0.34 -0.06 1.11 2.86 -1.53 0.69 114.93 118.81 1cfp h MET 74 Ca 0.11 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1cfp h MET 74 Cb 0.42 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.04 1cfp h MET 74 CO 0.01 0.50 0.01 0.00 1.06 0.00 0.00 176.91 178.49 1cfp h ALA 75 N 1.52 0.08 0.12 6.32 0.00 0.13 -2.66 119.26 124.77 1cfp h ALA 75 Ca 0.06 -0.14 -0.22 0.00 0.00 0.00 0.00 54.91 54.61 1cfp h ALA 75 Cb 0.47 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.25 1cfp h ALA 75 CO 0.03 -0.28 -1.06 0.35 0.00 0.00 0.00 179.25 178.28 1cfp h PHE 76 N -0.13 0.46 -0.98 0.00 3.57 -0.80 -2.69 116.94 116.38 1cfp h PHE 76 Ca 0.02 -0.34 0.24 0.00 3.53 0.00 0.00 57.97 61.42 1cfp h PHE 76 Cb 0.26 -0.02 -0.13 0.00 2.79 0.00 0.00 35.95 38.86 1cfp h PHE 76 CO 0.01 1.41 0.54 -0.24 -2.23 0.00 0.00 178.31 177.81 1cfp h VAL 77 N -0.39 0.51 -0.18 1.41 3.04 0.29 0.50 116.25 121.44 1cfp h VAL 77 Ca -0.22 -0.18 -0.08 0.00 -1.01 0.00 0.00 66.70 65.22 1cfp h VAL 77 Cb 1.66 -0.06 -0.00 0.00 -2.01 0.00 0.00 31.29 30.88 1cfp h VAL 77 CO 0.09 0.10 -0.19 0.00 -1.01 0.00 0.00 177.57 176.56 1cfp h ALA 78 N 1.73 0.27 -0.87 3.17 0.00 -1.54 -2.24 119.26 119.77 1cfp h ALA 78 Ca 0.63 -0.35 0.12 0.00 0.00 0.00 0.00 54.91 55.31 1cfp h ALA 78 Cb 1.20 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.87 1cfp h ALA 78 CO -0.49 0.19 0.56 0.52 0.00 0.00 0.00 179.25 180.03 1cfp h MET 79 N 0.11 0.72 0.00 0.00 2.07 0.13 0.65 114.93 118.62 1cfp h MET 79 Ca 0.03 -0.04 0.00 0.00 -2.07 0.00 0.00 59.70 57.62 1cfp h MET 79 Cb 0.73 -0.16 0.00 0.00 -1.87 0.00 0.00 31.60 30.30 1cfp h MET 79 CO 0.05 0.48 0.00 -0.89 1.07 0.00 0.00 176.91 177.61 1cfp n ILE 80 N -4.54 0.00 -0.32 -1.22 2.08 0.11 0.25 119.36 115.72 1cfp n ILE 80 Ca 0.16 1.16 0.24 0.00 0.56 0.00 0.00 62.75 64.87 1cfp n ILE 80 Cb 0.40 -2.10 0.46 0.00 -0.75 0.00 0.00 39.64 37.65 1cfp n ILE 80 CO 0.00 0.00 0.00 0.74 0.56 0.00 0.00 176.55 177.85 1cfp h THR 81 N 0.00 0.13 -0.00 1.39 2.02 -1.24 1.16 112.91 116.37 1cfp h THR 81 Ca 0.00 -0.04 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 1cfp h THR 81 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 1cfp h THR 81 CO 0.00 0.02 -0.10 0.71 0.37 0.00 0.00 175.52 176.52 1cfp h THR 82 N 0.12 1.60 0.00 3.16 1.35 -0.82 -2.55 112.91 115.77 1cfp h THR 82 Ca 0.73 -1.91 0.00 0.00 -0.55 0.00 0.00 66.41 64.69 1cfp h THR 82 Cb 1.75 2.86 0.00 0.00 -1.73 0.00 0.00 68.15 71.02 1cfp h THR 82 CO -0.74 0.51 0.01 0.00 -0.25 0.00 0.00 175.52 175.05 1cfp h ALA 83 N 0.22 1.01 -0.28 6.62 0.00 0.65 0.32 119.26 127.81 1cfp h ALA 83 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1cfp h ALA 83 Cb 0.88 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1cfp h ALA 83 CO 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.26 1cfp n HIS 85 N 0.33 -1.34 0.00 0.00 8.25 0.11 -4.80 115.22 117.78 1cfp n HIS 85 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 1cfp n HIS 85 Cb 0.32 -1.79 0.00 0.00 1.12 0.00 0.00 29.99 29.64 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 -2.16 0.00 0.00 -0.41 2.13 -0.98 -4.23 120.64 114.99 1cfp n GLU 86 Ca -0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.75 1cfp n GLU 86 Cb 0.42 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.13 1cfp n GLU 86 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1cfp n PHE 87 N 0.00 0.00 -0.95 4.31 7.35 -1.18 -4.44 117.46 122.55 1cfp n PHE 87 Ca 0.00 0.00 -0.21 0.00 -0.76 0.00 0.00 57.45 56.48 1cfp n PHE 87 Cb 0.00 0.00 0.17 0.00 0.35 0.00 0.00 39.48 40.00 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 -3.66 0.17 -5.13 3.01 -1.26 -4.99 117.46 105.61 1cfp n PHE 88 Ca 0.00 -0.71 -0.10 0.00 1.01 0.00 0.00 57.45 57.65 1cfp n PHE 88 Cb 0.00 -0.79 -0.06 0.00 -0.01 0.00 0.00 39.48 38.62 1cfp n PHE 88 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 1cfp h GLU 89 N 0.00 -0.48 -4.91 -1.08 4.81 -1.97 -3.43 114.58 107.53 1cfp h GLU 89 Ca -0.29 0.03 -0.65 0.00 -0.13 0.00 0.00 59.36 58.32 1cfp h GLU 89 Cb 0.88 0.11 -0.36 0.00 0.63 0.00 0.00 28.75 30.01 1cfp h GLU 89 CO 0.19 -0.21 -0.84 -1.58 -0.73 0.00 0.00 179.01 175.84 1cfp s HIS 90 N -3.70 2.68 0.00 0.92 5.04 -1.26 -5.03 115.29 113.94 1cfp s HIS 90 Ca -0.11 -1.64 0.00 0.00 -1.54 0.00 0.00 55.06 51.77 1cfp s HIS 90 Cb 0.01 -1.83 0.00 0.00 0.04 0.00 0.00 32.58 30.80 1cfp s HIS 90 CO 0.36 -0.78 0.18 -1.91 -2.34 0.00 0.00 174.74 170.24