#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f6v n SER 2 N 0.00 -1.16 -1.93 1.61 7.64 -1.26 -4.98 113.62 113.55 1f6v n SER 2 Ca 0.00 -1.90 -0.19 0.00 1.01 0.00 0.00 58.87 57.79 1f6v n SER 2 Cb 0.00 0.63 0.07 0.00 -1.01 0.00 0.00 64.21 63.89 1f6v n SER 2 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1f6v n ARG 3 N -0.87 1.95 -0.43 1.43 1.85 -1.26 -4.97 116.66 114.36 1f6v n ARG 3 Ca -0.12 -1.96 -0.28 0.00 -1.00 0.00 0.00 57.85 54.48 1f6v n ARG 3 Cb 0.75 -1.77 0.24 0.00 -1.05 0.00 0.00 32.46 30.64 1f6v n ARG 3 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06 1f6v n ILE 4 N -0.15 0.00 0.08 8.89 -0.00 -1.26 -4.91 119.36 122.00 1f6v n ILE 4 Ca 0.38 -0.24 -0.13 0.00 -0.00 0.00 0.00 62.75 62.76 1f6v n ILE 4 Cb 0.80 -0.85 -0.13 0.00 -0.00 0.00 0.00 39.64 39.46 1f6v n ILE 4 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1f6v h ALA 5 N -2.92 0.23 -1.69 -1.28 0.00 -2.05 -3.42 119.26 108.13 1f6v h ALA 5 Ca -0.49 -0.95 -0.54 0.00 0.00 0.00 0.00 54.91 52.93 1f6v h ALA 5 Cb 1.26 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.03 1f6v h ALA 5 CO 0.34 1.11 1.27 0.15 0.00 0.00 0.00 179.25 182.12 1f6v s LYS 6 N -2.67 3.08 0.01 0.00 3.01 -1.26 -4.89 119.74 117.02 1f6v s LYS 6 Ca -0.03 0.96 -0.01 0.00 -1.01 0.00 0.00 55.97 55.88 1f6v s LYS 6 Cb 0.08 -4.24 -0.01 0.00 -1.01 0.00 0.00 37.83 32.65 1f6v s LYS 6 CO 0.86 -2.17 1.02 0.00 0.51 0.00 0.00 175.35 175.57 1f6v h ARG 7 N 13.27 -0.02 -5.13 1.68 3.08 -2.00 -3.47 114.38 121.78 1f6v h ARG 7 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.76 1f6v h ARG 7 Cb 1.15 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 31.17 1f6v h ARG 7 CO 1.12 -0.02 -0.66 0.25 -1.07 0.00 0.00 179.97 179.60 1f6v n THR 8 N -2.73 -6.62 -2.00 2.04 -2.24 -1.26 -5.01 114.28 96.46 1f6v n THR 8 Ca -0.00 1.42 0.00 0.00 -2.27 0.00 0.00 64.05 63.19 1f6v n THR 8 Cb 0.02 -4.16 0.00 0.00 -2.10 0.00 0.00 70.33 64.08 1f6v n THR 8 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1f6v n ALA 9 N 2.07 0.00 -1.00 6.98 0.00 -1.26 -5.06 120.51 122.24 1f6v n ALA 9 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1f6v n ALA 9 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.65 1f6v n ALA 9 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1f6v n ILE 10 N -0.55 0.00 -2.86 0.00 2.08 -1.26 -4.72 119.36 112.05 1f6v n ILE 10 Ca 0.00 0.00 -0.01 0.00 0.56 0.00 0.00 62.75 63.30 1f6v n ILE 10 Cb 0.00 -0.68 -0.01 0.00 -0.75 0.00 0.00 39.64 38.20 1f6v n ILE 10 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 1f6v n ASN 11 N 0.00 -5.92 -4.00 4.38 4.05 -1.22 -3.57 115.26 108.98 1f6v n ASN 11 Ca 0.00 1.09 -0.44 0.00 0.45 0.00 0.00 54.58 55.69 1f6v n ASN 11 Cb 0.00 -3.85 0.03 0.00 1.23 0.00 0.00 39.78 37.18 1f6v n ASN 11 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1f6v n LYS 12 N 1.34 -0.44 -1.08 1.20 4.01 -1.26 -4.72 118.16 117.20 1f6v n LYS 12 Ca -0.10 0.16 -0.34 0.00 -0.51 0.00 0.00 58.31 57.52 1f6v n LYS 12 Cb 0.27 -2.81 0.00 0.00 -0.51 0.00 0.00 35.03 31.99 1f6v n LYS 12 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 1f6v n THR 13 N -4.85 0.23 -0.14 -0.18 -1.04 -1.23 -3.99 114.28 103.09 1f6v n THR 13 Ca -0.11 -0.43 -0.03 0.00 -2.04 0.00 0.00 64.05 61.44 1f6v n THR 13 Cb 0.57 0.00 0.04 0.00 -1.82 0.00 0.00 70.33 69.12 1f6v n THR 13 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1f6v h LYS 14 N 0.12 0.09 -0.65 -2.82 1.63 -1.87 2.15 116.57 115.22 1f6v h LYS 14 Ca -0.33 -0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.43 1f6v h LYS 14 Cb 1.24 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.82 1f6v h LYS 14 CO 0.38 0.06 0.27 -0.22 -3.45 0.00 0.00 179.45 176.49 1f6v h LYS 15 N 0.09 0.97 -0.78 1.90 3.64 -2.00 -1.30 116.57 119.08 1f6v h LYS 15 Ca 0.22 -0.17 -0.05 0.00 -1.27 0.00 0.00 60.65 59.39 1f6v h LYS 15 Cb 0.33 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 1f6v h LYS 15 CO -0.39 0.80 0.06 0.00 -2.27 0.00 0.00 179.45 177.65 1f6v n ALA 16 N -2.38 3.53 0.06 5.00 0.00 -0.06 -4.22 120.51 122.44 1f6v n ALA 16 Ca 0.05 -1.28 -0.19 0.00 0.00 0.00 0.00 53.44 52.02 1f6v n ALA 16 Cb 0.16 -1.11 -0.10 0.00 0.00 0.00 0.00 19.45 18.40 1f6v n ALA 16 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1f6v h ASP 17 N 2.17 0.79 0.88 0.00 3.58 0.47 -0.49 116.42 123.81 1f6v h ASP 17 Ca 0.06 -0.66 -0.10 0.00 0.42 0.00 0.00 57.03 56.75 1f6v h ASP 17 Cb 1.53 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 42.32 1f6v h ASP 17 CO 0.37 1.47 -1.19 0.58 -2.88 0.00 0.00 179.24 177.58 1f6v h VAL 18 N 0.31 0.34 0.00 2.25 2.07 -1.74 -3.15 116.25 116.33 1f6v h VAL 18 Ca -0.13 -1.65 -0.17 0.00 0.82 0.00 0.00 66.70 65.58 1f6v h VAL 18 Cb 1.74 1.87 -0.03 0.00 -1.52 0.00 0.00 31.29 33.35 1f6v h VAL 18 CO 0.20 0.19 -1.18 0.07 0.02 0.00 0.00 177.57 176.87 1f6v h LYS 19 N 0.00 0.00 0.00 1.57 2.10 -1.78 -3.20 116.57 115.26 1f6v h LYS 19 Ca -0.10 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.53 1f6v h LYS 19 Cb 1.36 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.69 1f6v h LYS 19 CO 0.03 0.41 -0.13 0.00 -2.00 0.00 0.00 179.45 177.76 1f6v h ALA 20 N 1.37 0.92 0.00 0.07 0.00 -1.20 -1.74 119.26 118.68 1f6v h ALA 20 Ca -0.12 -0.10 -0.19 0.00 0.00 0.00 0.00 54.91 54.49 1f6v h ALA 20 Cb 1.59 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.33 1f6v h ALA 20 CO 0.06 0.14 -0.93 0.82 0.00 0.00 0.00 179.25 179.34 1f6v h ILE 21 N 0.00 1.61 0.00 0.00 5.03 -1.59 0.26 117.51 122.82 1f6v h ILE 21 Ca -0.00 -3.24 -0.28 0.00 -0.12 0.00 0.00 64.86 61.22 1f6v h ILE 21 Cb 1.09 2.78 -0.05 0.00 -3.03 0.00 0.00 36.82 37.60 1f6v h ILE 21 CO 0.01 0.91 -1.81 0.00 -0.68 0.00 0.00 178.15 176.59 1f6v n ALA 22 N -2.34 1.61 0.13 1.87 0.00 -1.20 -4.19 120.51 116.38 1f6v n ALA 22 Ca 0.00 -0.84 0.11 0.00 0.00 0.00 0.00 53.44 52.72 1f6v n ALA 22 Cb 0.90 -0.73 -0.05 0.00 0.00 0.00 0.00 19.45 19.57 1f6v n ALA 22 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1f6v n ASP 23 N -2.93 0.53 -4.68 0.00 2.03 -0.66 -4.62 116.55 106.23 1f6v n ASP 23 Ca -0.19 0.15 -0.23 0.00 0.52 0.00 0.00 54.79 55.04 1f6v n ASP 23 Cb 1.02 1.02 0.11 0.00 -0.72 0.00 0.00 41.12 42.56 1f6v n ASP 23 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1f6v s ALA 24 N -3.40 3.86 0.00 -1.67 0.00 0.08 -2.37 121.76 118.26 1f6v s ALA 24 Ca -0.02 -1.91 0.00 0.00 0.00 0.00 0.00 51.96 50.03 1f6v s ALA 24 Cb 0.12 -1.88 0.00 0.00 0.00 0.00 0.00 23.12 21.36 1f6v s ALA 24 CO 0.83 -1.50 0.00 0.91 0.00 0.00 0.00 175.76 176.00 1f6v n TRP 25 N -2.83 0.00 -2.98 0.00 7.02 -1.26 -3.85 117.44 113.54 1f6v n TRP 25 Ca 0.17 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.23 1f6v n TRP 25 Cb 0.61 0.03 0.01 0.00 -2.42 0.00 0.00 31.31 29.53 1f6v n TRP 25 CO 0.00 0.00 0.00 0.94 -2.02 0.00 0.00 177.69 176.61 1f6v n GLN 26 N 10.96 4.49 -0.00 -0.99 -0.06 -1.23 -4.64 117.38 125.91 1f6v n GLN 26 Ca 0.00 -4.58 0.10 0.00 -2.00 0.00 0.00 57.00 50.52 1f6v n GLN 26 Cb 0.00 -2.49 -0.13 0.00 -4.06 0.00 0.00 30.24 23.56 1f6v n GLN 26 CO 0.00 0.00 0.00 1.51 -0.20 0.00 0.00 177.06 178.37 1f6v n ILE 27 N 1.11 0.00 0.00 1.69 0.00 -1.25 -4.73 119.36 116.18 1f6v n ILE 27 Ca 0.29 -0.20 0.00 0.00 0.00 0.00 0.00 62.75 62.83 1f6v n ILE 27 Cb 0.33 0.62 0.00 0.00 0.00 0.00 0.00 39.64 40.59 1f6v n ILE 27 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1f6v n ASN 28 N -1.75 0.00 0.00 9.51 5.15 -1.26 -4.54 115.26 122.37 1f6v n ASN 28 Ca 0.01 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.99 1f6v n ASN 28 Cb 0.39 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.64 1f6v n ASN 28 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1f6v n GLY 29 N -1.34 2.28 0.02 8.20 0.00 -1.26 -4.74 105.19 108.35 1f6v n GLY 29 Ca 0.00 -0.48 -0.02 0.00 0.00 0.00 0.00 46.02 45.52 1f6v n GLY 29 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1f6v n GLU 30 N 0.00 1.41 -0.11 1.61 2.13 -1.26 -3.75 120.64 120.67 1f6v n GLU 30 Ca 0.00 0.01 -0.07 0.00 0.66 0.00 0.00 57.16 57.76 1f6v n GLU 30 Cb 0.00 -1.07 0.09 0.00 0.27 0.00 0.00 31.44 30.73 1f6v n GLU 30 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1f6v h LYS 31 N 0.00 0.82 0.00 5.31 6.56 -1.87 -1.27 116.57 126.11 1f6v h LYS 31 Ca -0.08 -0.30 -0.13 0.00 -1.06 0.00 0.00 60.65 59.08 1f6v h LYS 31 Cb 1.15 -0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 32.73 1f6v h LYS 31 CO -0.01 0.92 -0.62 1.05 -2.06 0.00 0.00 179.45 178.73 1f6v h GLU 32 N 0.73 0.00 -0.68 3.15 -0.00 -1.72 -3.20 114.58 112.86 1f6v h GLU 32 Ca 0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.46 1f6v h GLU 32 Cb 0.66 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 29.38 1f6v h GLU 32 CO 0.05 0.62 0.39 1.25 -0.00 0.00 0.00 179.01 181.32 1f6v h LEU 33 N 0.00 0.83 0.55 3.06 7.12 -1.45 -2.79 115.31 122.63 1f6v h LEU 33 Ca -0.01 -0.08 -0.03 0.00 0.13 0.00 0.00 57.88 57.90 1f6v h LEU 33 Cb 1.47 -0.21 0.01 0.00 -0.53 0.00 0.00 40.66 41.39 1f6v h LEU 33 CO 0.08 0.66 -0.26 -0.08 -0.13 0.00 0.00 178.44 178.71 1f6v h GLU 34 N 0.92 -0.71 -0.48 1.25 4.81 -1.26 0.23 114.58 119.34 1f6v h GLU 34 Ca 0.24 0.05 0.08 0.00 -0.13 0.00 0.00 59.36 59.60 1f6v h GLU 34 Cb 0.00 0.16 -0.10 0.00 0.63 0.00 0.00 28.75 29.45 1f6v h GLU 34 CO -0.04 -0.41 -0.41 1.25 -0.73 0.00 0.00 179.01 178.68 1f6v h LEU 35 N -0.95 -1.37 -1.60 1.64 7.12 -1.56 0.73 115.31 119.31 1f6v h LEU 35 Ca -0.08 0.22 -0.04 0.00 0.13 0.00 0.00 57.88 58.12 1f6v h LEU 35 Cb 0.63 0.62 -0.01 0.00 -0.53 0.00 0.00 40.66 41.38 1f6v h LEU 35 CO 0.12 -0.35 -0.20 0.25 -0.13 0.00 0.00 178.44 178.13 1f6v h LEU 36 N -0.27 0.00 -2.02 2.25 7.12 -1.51 0.17 115.31 121.04 1f6v h LEU 36 Ca 0.17 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.18 1f6v h LEU 36 Cb 0.57 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.70 1f6v h LEU 36 CO -0.61 0.20 0.00 -0.61 -0.13 0.00 0.00 178.44 177.29 1f6v h GLN 37 N 0.00 0.00 0.00 1.25 4.15 0.39 -1.92 115.11 118.98 1f6v h GLN 37 Ca -0.00 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.34 1f6v h GLN 37 Cb 0.48 0.00 -0.18 0.00 0.21 0.00 0.00 27.48 27.99 1f6v h GLN 37 CO 0.03 0.00 -0.73 1.04 -1.93 0.00 0.00 178.83 177.24 1f6v n GLN 38 N -2.57 0.09 0.00 1.69 6.02 -0.28 -4.86 117.38 117.48 1f6v n GLN 38 Ca -0.02 -1.58 0.00 0.00 -0.01 0.00 0.00 57.00 55.39 1f6v n GLN 38 Cb 0.05 -0.34 0.00 0.00 1.02 0.00 0.00 30.24 30.97 1f6v n GLN 38 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1f6v n ILE 39 N 0.14 0.00 0.84 5.09 2.08 0.43 -4.45 119.36 123.49 1f6v n ILE 39 Ca 0.04 0.00 0.10 0.00 0.56 0.00 0.00 62.75 63.45 1f6v n ILE 39 Cb 0.90 -0.82 0.48 0.00 -0.75 0.00 0.00 39.64 39.46 1f6v n ILE 39 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1f6v n ALA 40 N -2.55 2.01 0.62 -1.39 0.00 -1.14 -1.10 120.51 116.95 1f6v n ALA 40 Ca 0.00 -0.08 0.09 0.00 0.00 0.00 0.00 53.44 53.44 1f6v n ALA 40 Cb 0.30 -1.34 -0.12 0.00 0.00 0.00 0.00 19.45 18.30 1f6v n ALA 40 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1f6v n GLN 41 N -1.40 0.85 -1.63 0.00 6.02 -1.26 -4.43 117.38 115.53 1f6v n GLN 41 Ca 0.07 -0.05 -0.00 0.00 -0.01 0.00 0.00 57.00 57.01 1f6v n GLN 41 Cb 0.21 -1.39 0.07 0.00 1.02 0.00 0.00 30.24 30.16 1f6v n GLN 41 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 1f6v n LYS 42 N -1.64 1.24 0.00 -1.09 -0.00 -0.81 -5.07 118.16 110.79 1f6v n LYS 42 Ca 0.01 -2.93 0.00 0.00 -0.00 0.00 0.00 58.31 55.39 1f6v n LYS 42 Cb 0.34 -1.05 0.00 0.00 -0.00 0.00 0.00 35.03 34.33 1f6v n LYS 42 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1f6v n PRO 43 N -0.30 1.83 0.00 -1.58 -0.04 -0.26 -3.44 135.00 131.21 1f6v n PRO 43 Ca 0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 1f6v n PRO 43 Cb 0.94 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.40 1f6v n PRO 43 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1f6v n GLY 44 N 3.35 0.03 2.71 0.55 0.00 -1.26 -4.38 105.19 106.18 1f6v n GLY 44 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 1f6v n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f6v n ALA 45 N -0.33 2.75 -0.31 4.61 0.00 -1.26 -4.73 120.51 121.25 1f6v n ALA 45 Ca 0.00 -1.46 -0.11 0.00 0.00 0.00 0.00 53.44 51.87 1f6v n ALA 45 Cb 0.00 -0.85 -0.10 0.00 0.00 0.00 0.00 19.45 18.51 1f6v n ALA 45 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1f6v h LEU 46 N 1.46 -1.97 0.00 0.00 6.46 -1.89 -0.90 115.31 118.47 1f6v h LEU 46 Ca -0.36 0.29 0.00 0.00 -0.12 0.00 0.00 57.88 57.68 1f6v h LEU 46 Cb 1.29 0.85 0.00 0.00 -0.73 0.00 0.00 40.66 42.07 1f6v h LEU 46 CO -0.09 -0.28 0.00 -1.14 -0.62 0.00 0.00 178.44 176.32 1f6v n ARG 47 N -5.18 0.00 0.01 1.25 0.63 1.23 0.10 116.66 114.69 1f6v n ARG 47 Ca 0.00 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.84 1f6v n ARG 47 Cb 0.28 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.13 1f6v n ARG 47 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 1f6v h ILE 48 N 0.00 0.00 -0.01 5.15 2.04 -0.92 -0.68 117.51 123.09 1f6v h ILE 48 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1f6v h ILE 48 Cb 0.00 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.08 1f6v h ILE 48 CO 0.00 0.00 -0.07 0.18 0.00 0.00 0.00 178.15 178.26 1f6v n LEU 49 N -4.17 0.68 0.14 1.44 4.32 0.28 -3.47 117.00 116.22 1f6v n LEU 49 Ca -0.04 -0.14 -0.01 0.00 -0.02 0.00 0.00 56.01 55.80 1f6v n LEU 49 Cb 0.22 -0.09 0.17 0.00 -1.62 0.00 0.00 43.42 42.10 1f6v n LEU 49 CO 0.05 0.12 0.50 -1.13 -1.22 0.00 0.00 177.39 175.71 1f6v h ASN 50 N 0.95 0.00 -1.12 -1.43 -0.00 0.12 0.47 115.58 114.57 1f6v h ASN 50 Ca 0.00 0.00 0.32 0.00 -0.00 0.00 0.00 56.30 56.62 1f6v h ASN 50 Cb 0.33 0.00 -0.04 0.00 -0.00 0.00 0.00 38.32 38.61 1f6v h ASN 50 CO 0.00 0.61 0.99 -0.74 -0.00 0.00 0.00 177.43 178.29 1f6v h HIS 51 N 0.00 0.00 0.00 0.67 2.76 -1.35 0.40 115.15 117.63 1f6v h HIS 51 Ca -0.01 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 1f6v h HIS 51 Cb 1.11 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.07 1f6v h HIS 51 CO 0.00 0.00 0.00 0.43 -1.30 0.00 0.00 177.93 177.06 1f6v n SER 52 N -3.72 0.25 0.11 3.26 7.64 -1.02 -4.59 113.62 115.55 1f6v n SER 52 Ca 0.24 -0.62 0.12 0.00 1.01 0.00 0.00 58.87 59.62 1f6v n SER 52 Cb 1.35 0.27 0.06 0.00 -1.01 0.00 0.00 64.21 64.87 1f6v n SER 52 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1f6v h LEU 53 N 0.00 0.00 -2.09 -3.43 4.07 0.20 -3.20 115.31 110.85 1f6v h LEU 53 Ca 0.00 -0.05 0.04 0.00 0.08 0.00 0.00 57.88 57.95 1f6v h LEU 53 Cb 0.12 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.85 1f6v h LEU 53 CO 0.00 0.03 0.32 -0.09 -1.08 0.00 0.00 178.44 177.62 1f6v h ARG 54 N 0.00 0.00 -0.79 1.13 2.43 -1.49 0.40 114.38 116.06 1f6v h ARG 54 Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1f6v h ARG 54 Cb 0.94 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.45 1f6v h ARG 54 CO 0.00 0.00 0.48 1.25 -1.51 0.00 0.00 179.97 180.19 1f6v h LEU 55 N 0.00 0.94 -0.52 3.80 7.12 -1.82 -2.46 115.31 122.36 1f6v h LEU 55 Ca 0.07 -0.06 0.22 0.00 0.13 0.00 0.00 57.88 58.24 1f6v h LEU 55 Cb 0.72 -0.24 -0.09 0.00 -0.53 0.00 0.00 40.66 40.52 1f6v h LEU 55 CO -0.00 0.72 0.27 0.00 -0.13 0.00 0.00 178.44 179.30 1f6v n ALA 56 N -2.34 0.53 -0.07 1.25 0.00 0.14 0.22 120.51 120.24 1f6v n ALA 56 Ca 0.08 0.53 -0.05 0.00 0.00 0.00 0.00 53.44 53.99 1f6v n ALA 56 Cb 0.05 -0.53 -0.14 0.00 0.00 0.00 0.00 19.45 18.84 1f6v n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f6v n ALA 57 N -2.64 1.78 -1.92 0.00 0.00 -1.08 -3.51 120.51 113.13 1f6v n ALA 57 Ca 0.19 -1.01 -0.23 0.00 0.00 0.00 0.00 53.44 52.40 1f6v n ALA 57 Cb 0.66 -0.21 -0.06 0.00 0.00 0.00 0.00 19.45 19.84 1f6v n ALA 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1f6v s MET 58 N -2.57 2.25 -0.09 0.00 0.00 0.60 -4.70 119.30 114.80 1f6v s MET 58 Ca -0.08 -0.26 0.10 0.00 0.00 0.00 0.00 55.69 55.45 1f6v s MET 58 Cb 0.06 -5.02 0.46 0.00 0.00 0.00 0.00 34.83 30.33 1f6v s MET 58 CO 0.71 -3.83 1.28 -2.37 0.00 0.00 0.00 175.02 170.81 1f6v n THR 59 N 8.14 1.27 0.47 10.11 5.66 -1.26 -3.61 114.28 135.06 1f6v n THR 59 Ca 0.42 -0.75 0.07 0.00 -3.05 0.00 0.00 64.05 60.74 1f6v n THR 59 Cb 0.46 -0.13 0.07 0.00 -1.55 0.00 0.00 70.33 69.18 1f6v n THR 59 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1f6v n ALA 60 N 0.53 2.45 -2.30 1.79 0.00 -1.26 -4.83 120.51 116.88 1f6v n ALA 60 Ca 0.16 -0.67 -0.35 0.00 0.00 0.00 0.00 53.44 52.58 1f6v n ALA 60 Cb 0.66 -0.46 -0.03 0.00 0.00 0.00 0.00 19.45 19.62 1f6v n ALA 60 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1f6v s HIS 61 N -1.10 2.32 -0.27 0.00 5.04 -1.24 -4.74 115.29 115.29 1f6v s HIS 61 Ca 0.17 -0.46 -0.00 0.00 -1.54 0.00 0.00 55.06 53.23 1f6v s HIS 61 Cb 0.12 -4.35 0.23 0.00 0.04 0.00 0.00 32.58 28.62 1f6v s HIS 61 CO 0.17 -1.50 1.85 0.41 -2.34 0.00 0.00 174.74 173.32 1f6v n GLY 62 N 5.71 3.76 0.00 1.59 0.00 -1.26 -3.84 105.19 111.16 1f6v n GLY 62 Ca 0.46 -0.88 0.04 0.00 0.00 0.00 0.00 46.02 45.64 1f6v n GLY 62 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1f6v n LYS 63 N 0.22 1.06 -2.77 1.61 3.00 -1.26 -4.93 118.16 115.09 1f6v n LYS 63 Ca 0.28 -0.07 -0.00 0.00 -0.00 0.00 0.00 58.31 58.52 1f6v n LYS 63 Cb 0.70 -1.15 0.01 0.00 0.00 0.00 0.00 35.03 34.59 1f6v n LYS 63 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1f6v s GLY 64 N -2.80 -1.64 0.17 3.14 0.00 -1.25 -5.08 107.32 99.87 1f6v s GLY 64 Ca -0.02 0.84 -0.16 0.00 0.00 0.00 0.00 44.72 45.38 1f6v s GLY 64 CO 0.37 4.22 0.47 -0.54 0.00 0.00 0.00 173.10 177.62 1f6v s GLU 65 N 1.54 1.27 0.00 2.90 0.41 -1.25 -3.97 118.70 119.59 1f6v s GLU 65 Ca 0.19 -0.85 0.00 0.00 -0.41 0.00 0.00 54.97 53.90 1f6v s GLU 65 Cb 0.06 0.49 0.00 0.00 -1.78 0.00 0.00 34.13 32.90 1f6v s GLU 65 CO -0.12 -0.52 0.00 0.54 -0.49 0.00 0.00 175.26 174.67 1f6v n ARG 66 N -0.30 0.00 0.00 1.61 1.74 -1.26 -4.95 116.66 113.50 1f6v n ARG 66 Ca -0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.97 1f6v n ARG 66 Cb 0.63 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.07 1f6v n ARG 66 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 1f6v n VAL 67 N 0.00 0.00 -3.98 1.55 3.14 -1.26 -4.77 118.33 113.01 1f6v n VAL 67 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1f6v n VAL 67 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1f6v n VAL 67 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1f6v n ASN 68 N 0.00 0.00 0.17 6.55 2.85 -1.26 -3.05 115.26 120.52 1f6v n ASN 68 Ca 0.00 0.00 0.06 0.00 -0.11 0.00 0.00 54.58 54.53 1f6v n ASN 68 Cb 0.00 0.00 0.54 0.00 1.24 0.00 0.00 39.78 41.56 1f6v n ASN 68 CO 0.00 0.00 0.00 1.05 -2.11 0.00 0.00 177.26 176.20 1f6v h GLU 69 N 0.00 0.16 -0.11 1.20 9.09 -1.85 -2.14 114.58 120.94 1f6v h GLU 69 Ca 0.00 -0.02 -0.03 0.00 0.05 0.00 0.00 59.36 59.36 1f6v h GLU 69 Cb 0.00 -0.03 -0.00 0.00 -1.65 0.00 0.00 28.75 27.06 1f6v h GLU 69 CO 0.00 0.16 -0.07 -0.44 0.05 0.00 0.00 179.01 178.71 1f6v h ASP 70 N 0.17 0.24 -0.37 3.06 3.32 -1.89 -3.15 116.42 117.79 1f6v h ASP 70 Ca 0.04 -0.44 0.09 0.00 0.02 0.00 0.00 57.03 56.75 1f6v h ASP 70 Cb 0.07 -0.07 -0.07 0.00 0.22 0.00 0.00 39.33 39.48 1f6v h ASP 70 CO -0.00 0.63 -0.02 0.00 -1.72 0.00 0.00 179.24 178.12 1f6v n TYR 71 N -4.69 0.21 0.33 4.55 9.36 -0.80 1.00 117.16 127.10 1f6v n TYR 71 Ca -0.07 0.45 -0.19 0.00 3.32 0.00 0.00 57.90 61.42 1f6v n TYR 71 Cb 0.29 -0.76 -0.10 0.00 -0.63 0.00 0.00 39.34 38.14 1f6v n TYR 71 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1f6v h LEU 72 N 0.00 -1.37 -0.01 2.98 3.38 -1.64 0.76 115.31 119.40 1f6v h LEU 72 Ca 0.21 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1f6v h LEU 72 Cb 0.41 0.44 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 1f6v h LEU 72 CO -0.36 -0.69 0.01 0.03 0.09 0.00 0.00 178.44 177.51 1f6v h ARG 73 N -1.06 0.02 0.00 1.13 3.08 0.49 0.18 114.38 118.21 1f6v h ARG 73 Ca -0.07 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1f6v h ARG 73 Cb 0.90 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.95 1f6v h ARG 73 CO -0.03 0.02 0.10 0.37 -1.07 0.00 0.00 179.97 179.37 1f6v h GLN 74 N 0.00 0.00 0.00 0.04 5.75 -0.95 0.94 115.11 120.89 1f6v h GLN 74 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1f6v h GLN 74 Cb 0.01 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.56 1f6v h GLN 74 CO -0.00 0.00 -0.06 0.00 -2.65 0.00 0.00 178.83 176.12 1f6v h ALA 75 N 1.78 0.00 -0.89 3.38 0.00 0.34 -2.84 119.26 121.03 1f6v h ALA 75 Ca 0.00 -0.06 -0.46 0.00 0.00 0.00 0.00 54.91 54.39 1f6v h ALA 75 Cb 0.20 0.06 -0.27 0.00 0.00 0.00 0.00 17.79 17.78 1f6v h ALA 75 CO 0.00 0.06 0.58 1.97 0.00 0.00 0.00 179.25 181.86 1f6v n PHE 76 N -4.54 2.73 0.00 0.00 -1.74 -0.05 -4.41 117.46 109.44 1f6v n PHE 76 Ca -0.01 -1.69 0.00 0.00 -0.56 0.00 0.00 57.45 55.19 1f6v n PHE 76 Cb 0.03 -0.87 0.00 0.00 1.52 0.00 0.00 39.48 40.16 1f6v n PHE 76 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 1f6v n ARG 77 N -0.95 0.00 0.28 3.97 1.74 0.32 -4.73 116.66 117.29 1f6v n ARG 77 Ca 0.53 0.00 0.15 0.00 -0.77 0.00 0.00 57.85 57.76 1f6v n ARG 77 Cb 1.55 -0.20 0.79 0.00 -1.02 0.00 0.00 32.46 33.58 1f6v n ARG 77 CO 0.00 0.00 0.00 1.05 -1.52 0.00 0.00 177.63 177.16 1f6v h GLU 78 N 0.00 0.00 0.00 5.56 -0.00 -1.20 -3.22 114.58 115.71 1f6v h GLU 78 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1f6v h GLU 78 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.75 1f6v h GLU 78 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 179.01 180.29 1f6v n LEU 79 N -2.69 0.00 0.00 3.06 4.32 -1.26 -5.05 117.00 115.37 1f6v n LEU 79 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.97 1f6v n LEU 79 Cb 0.25 -0.44 0.00 0.00 -1.62 0.00 0.00 43.42 41.62 1f6v n LEU 79 CO 0.13 -0.45 0.00 -0.90 -1.22 0.00 0.00 177.39 174.95 1f6v n ASP 80 N -2.39 0.00 -0.98 -1.43 5.68 -1.22 -4.99 116.55 111.23 1f6v n ASP 80 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1f6v n ASP 80 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1f6v n ASP 80 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1f6v n LEU 81 N 0.00 -1.30 0.00 -2.12 4.77 -1.26 -4.91 117.00 112.18 1f6v n LEU 81 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1f6v n LEU 81 Cb 0.00 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 1f6v n LEU 81 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.39 175.16 1f6v n ASP 82 N -0.92 0.00 0.00 -1.43 5.75 -1.26 -4.98 116.55 113.71 1f6v n ASP 82 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1f6v n ASP 82 Cb 0.33 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.42 1f6v n ASP 82 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1f6v n VAL 83 N -0.55 0.00 -0.30 2.12 0.31 -1.26 -4.78 118.33 113.87 1f6v n VAL 83 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.28 1f6v n VAL 83 Cb 0.00 -0.05 0.07 0.00 -0.91 0.00 0.00 33.84 32.95 1f6v n VAL 83 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1f6v h ASP 84 N 0.00 1.05 0.39 4.52 5.19 -1.94 -0.57 116.42 125.06 1f6v h ASP 84 Ca 0.00 -0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.30 1f6v h ASP 84 Cb 0.00 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 39.24 1f6v h ASP 84 CO 0.00 0.86 -0.05 2.30 -3.12 0.00 0.00 179.24 179.24 1f6v n ILE 85 N -4.37 0.00 -1.32 0.35 -0.00 -1.26 -4.83 119.36 107.92 1f6v n ILE 85 Ca 0.08 -0.03 -0.30 0.00 -0.00 0.00 0.00 62.75 62.50 1f6v n ILE 85 Cb 0.11 -0.31 0.21 0.00 -0.00 0.00 0.00 39.64 39.65 1f6v n ILE 85 CO 0.00 0.00 0.00 -0.55 -0.00 0.00 0.00 176.55 176.00 1f6v s SER 86 N -2.43 1.93 -0.23 7.28 0.15 -0.22 -4.88 113.70 115.29 1f6v s SER 86 Ca 0.32 0.68 0.14 0.00 0.70 0.00 0.00 55.95 57.79 1f6v s SER 86 Cb 0.20 -0.99 0.80 0.00 -1.71 0.00 0.00 66.02 64.33 1f6v s SER 86 CO 0.45 -3.50 1.73 0.41 1.20 0.00 0.00 173.24 173.52 1f6v n THR 87 N -4.35 2.73 -4.23 6.45 -1.04 -1.26 -4.86 114.28 107.70 1f6v n THR 87 Ca 0.11 -1.44 -0.23 0.00 -2.04 0.00 0.00 64.05 60.45 1f6v n THR 87 Cb 0.59 -0.27 -0.07 0.00 -1.82 0.00 0.00 70.33 68.77 1f6v n THR 87 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1f6v s LEU 88 N -2.76 3.31 0.00 -4.42 1.43 -1.26 -4.87 118.68 110.10 1f6v s LEU 88 Ca 0.54 -0.60 0.00 0.00 -1.03 0.00 0.00 54.13 53.04 1f6v s LEU 88 Cb 0.41 -1.82 0.00 0.00 0.03 0.00 0.00 46.19 44.81 1f6v s LEU 88 CO 0.16 -0.06 0.00 0.18 0.23 0.00 0.00 176.35 176.86 1f6v n LEU 89 N -0.98 0.00 0.00 1.79 4.77 -1.26 -4.84 117.00 116.48 1f6v n LEU 89 Ca -0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 1f6v n LEU 89 Cb 0.59 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 1f6v n LEU 89 CO 0.41 0.00 0.00 -1.14 -1.33 0.00 0.00 177.39 175.33 1f6v n ARG 90 N 0.00 0.00 0.00 3.23 0.63 -1.26 -5.22 116.66 114.04 1f6v n ARG 90 Ca 0.00 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 56.95 1f6v n ARG 90 Cb 0.00 0.00 0.02 0.00 0.45 0.00 0.00 32.46 32.93 1f6v n ARG 90 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39