#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 1.05 -2.20 1.61 3.41 -1.26 -4.86 113.62 111.38 1f6v n SER 2 Ca 0.00 1.12 -0.28 0.00 -0.26 0.00 0.00 58.87 59.45 1f6v n SER 2 Cb 0.00 -1.28 0.12 0.00 -0.26 0.00 0.00 64.21 62.79 1f6v n SER 2 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1f6v n ARG 3 N 0.59 2.53 -1.78 4.33 3.00 -1.26 -5.00 116.66 119.08 1f6v n ARG 3 Ca 0.10 -3.24 -0.41 0.00 -0.01 0.00 0.00 57.85 54.29 1f6v n ARG 3 Cb 0.34 -2.22 -0.02 0.00 0.00 0.00 0.00 32.46 30.57 1f6v n ARG 3 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 1f6v s ILE 4 N -4.17 2.06 0.25 0.55 -5.25 -1.26 -4.99 121.20 108.39 1f6v s ILE 4 Ca 0.60 0.05 -0.04 0.00 -0.99 0.00 0.00 60.65 60.27 1f6v s ILE 4 Cb 0.49 -3.03 0.06 0.00 2.95 0.00 0.00 42.46 42.92 1f6v s ILE 4 CO 0.04 0.01 0.31 0.00 -1.79 0.00 0.00 174.94 173.50 1f6v n ALA 5 N 2.14 -0.47 -2.52 2.27 0.00 -1.26 -4.89 120.51 115.79 1f6v n ALA 5 Ca 0.08 -0.41 -0.40 0.00 0.00 0.00 0.00 53.44 52.71 1f6v n ALA 5 Cb 0.37 -0.02 -0.03 0.00 0.00 0.00 0.00 19.45 19.78 1f6v n ALA 5 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1f6v s LYS 6 N -3.67 3.57 1.03 0.00 2.36 -1.26 -4.98 119.74 116.79 1f6v s LYS 6 Ca 0.18 -1.23 -0.14 0.00 -2.55 0.00 0.00 55.97 52.22 1f6v s LYS 6 Cb -0.01 -5.37 0.11 0.00 -1.05 0.00 0.00 37.83 31.51 1f6v s LYS 6 CO 0.13 -2.34 0.47 0.54 1.55 0.00 0.00 175.35 175.70 1f6v n ARG 7 N 8.78 -1.00 -0.99 4.03 1.74 -1.26 -2.66 116.66 125.31 1f6v n ARG 7 Ca 0.37 -0.25 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 1f6v n ARG 7 Cb 0.50 -1.92 0.00 0.00 -1.02 0.00 0.00 32.46 30.01 1f6v n ARG 7 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1f6v n THR 8 N -4.13 0.00 -0.04 0.55 -1.04 -1.17 -4.99 114.28 103.46 1f6v n THR 8 Ca 0.05 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 62.03 1f6v n THR 8 Cb 0.56 -0.31 0.03 0.00 -1.82 0.00 0.00 70.33 68.78 1f6v n THR 8 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1f6v n ALA 9 N 1.00 -0.49 -3.57 2.41 0.00 -1.09 -4.89 120.51 113.88 1f6v n ALA 9 Ca 0.00 -0.14 -0.38 0.00 0.00 0.00 0.00 53.44 52.91 1f6v n ALA 9 Cb 0.15 -0.01 -0.05 0.00 0.00 0.00 0.00 19.45 19.54 1f6v n ALA 9 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1f6v s ILE 10 N -0.91 4.69 -0.35 0.00 1.01 0.21 -4.57 121.20 121.28 1f6v s ILE 10 Ca 0.06 -3.65 -0.29 0.00 0.00 0.00 0.00 60.65 56.77 1f6v s ILE 10 Cb -0.01 -3.90 0.01 0.00 0.01 0.00 0.00 42.46 38.58 1f6v s ILE 10 CO 0.05 -1.09 1.17 0.21 0.00 0.00 0.00 174.94 175.29 1f6v s ASN 11 N 0.31 6.76 -0.76 3.58 3.04 -0.11 -3.53 114.94 124.22 1f6v s ASN 11 Ca 0.27 0.96 0.00 0.00 0.04 0.00 0.00 52.86 54.13 1f6v s ASN 11 Cb -0.09 -2.54 0.00 0.00 -1.54 0.00 0.00 41.25 37.08 1f6v s ASN 11 CO -0.11 -1.05 0.00 0.29 -3.04 0.00 0.00 177.10 173.19 1f6v n LYS 12 N 7.28 -1.64 0.00 0.43 4.01 -1.26 -4.69 118.16 122.29 1f6v n LYS 12 Ca 0.13 0.58 0.00 0.00 -0.51 0.00 0.00 58.31 58.51 1f6v n LYS 12 Cb 0.47 -4.62 0.00 0.00 -0.51 0.00 0.00 35.03 30.37 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 -1.62 0.00 -0.13 -0.18 -1.04 -1.23 -1.17 114.28 108.91 1f6v n THR 13 Ca -0.07 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.70 1f6v n THR 13 Cb 0.39 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.79 1f6v n THR 13 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1f6v n LYS 14 N -0.25 0.62 -0.18 -2.82 5.02 -1.26 -3.42 118.16 115.87 1f6v n LYS 14 Ca 0.00 0.22 -0.09 0.00 -2.02 0.00 0.00 58.31 56.41 1f6v n LYS 14 Cb 0.00 -1.52 0.01 0.00 -0.02 0.00 0.00 35.03 33.50 1f6v n LYS 14 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1f6v h LYS 15 N -0.51 0.87 -0.77 1.97 3.64 -1.99 -2.03 116.57 117.74 1f6v h LYS 15 Ca -0.63 -0.26 -0.00 0.00 -1.27 0.00 0.00 60.65 58.49 1f6v h LYS 15 Cb 1.75 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 33.48 1f6v h LYS 15 CO -0.25 0.88 0.00 0.00 -2.27 0.00 0.00 179.45 177.81 1f6v n ALA 16 N -2.43 3.27 0.08 5.00 0.00 -1.23 -4.14 120.51 121.07 1f6v n ALA 16 Ca 0.01 -1.05 -0.03 0.00 0.00 0.00 0.00 53.44 52.37 1f6v n ALA 16 Cb 0.29 -1.07 0.19 0.00 0.00 0.00 0.00 19.45 18.86 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 0.29 0.00 0.00 1.82 -0.36 -1.28 116.42 119.05 1f6v h ASP 17 Ca 0.00 -0.13 0.00 0.00 -0.39 0.00 0.00 57.03 56.51 1f6v h ASP 17 Cb 1.31 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 41.24 1f6v h ASP 17 CO 0.27 0.71 -1.22 0.52 -1.61 0.00 0.00 179.24 177.91 1f6v n VAL 18 N -3.99 0.00 0.07 2.25 0.31 -1.26 -4.07 118.33 111.64 1f6v n VAL 18 Ca -0.02 -0.26 -0.14 0.00 -0.01 0.00 0.00 64.34 63.91 1f6v n VAL 18 Cb 0.51 0.55 -0.14 0.00 -0.91 0.00 0.00 33.84 33.85 1f6v n VAL 18 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 1f6v h LYS 19 N 0.00 0.19 -0.35 5.55 5.09 -1.74 -3.28 116.57 122.03 1f6v h LYS 19 Ca 0.00 -0.33 -0.05 0.00 0.09 0.00 0.00 60.65 60.36 1f6v h LYS 19 Cb 0.52 0.12 -0.01 0.00 0.10 0.00 0.00 32.23 32.96 1f6v h LYS 19 CO 0.00 1.09 0.03 0.00 -2.09 0.00 0.00 179.45 178.48 1f6v h ALA 20 N 0.65 0.47 -0.28 0.07 0.00 -1.43 -1.59 119.26 117.15 1f6v h ALA 20 Ca -0.16 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 54.60 1f6v h ALA 20 Cb 1.96 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 1f6v h ALA 20 CO 0.17 0.20 0.69 0.82 0.00 0.00 0.00 179.25 181.13 1f6v h ILE 21 N 0.43 0.08 0.00 0.00 1.08 -1.70 1.22 117.51 118.61 1f6v h ILE 21 Ca 0.10 0.00 -0.10 0.00 -0.39 0.00 0.00 64.86 64.48 1f6v h ILE 21 Cb 0.40 0.37 -0.01 0.00 -3.07 0.00 0.00 36.82 34.50 1f6v h ILE 21 CO 0.01 0.00 -0.94 0.00 -0.69 0.00 0.00 178.15 176.53 1f6v n ALA 22 N -1.95 0.66 -0.41 1.87 0.00 -0.63 -4.39 120.51 115.65 1f6v n ALA 22 Ca 0.05 -0.55 0.03 0.00 0.00 0.00 0.00 53.44 52.97 1f6v n ALA 22 Cb 0.80 -0.12 0.28 0.00 0.00 0.00 0.00 19.45 20.41 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 -4.52 4.37 -0.12 0.00 2.03 -0.78 -4.46 116.55 113.07 1f6v n ASP 23 Ca -0.18 -2.74 -0.23 0.00 0.52 0.00 0.00 54.79 52.16 1f6v n ASP 23 Cb 0.46 -0.65 -0.09 0.00 -0.72 0.00 0.00 41.12 40.11 1f6v n ASP 23 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1f6v n ALA 24 N 0.33 0.96 -1.97 -1.67 0.00 0.41 -3.61 120.51 114.96 1f6v n ALA 24 Ca 0.23 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1f6v n ALA 24 Cb 0.99 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 20.29 1f6v n ALA 24 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1f6v n TRP 25 N -4.36 0.00 -1.88 0.00 8.01 -1.26 -4.52 117.44 113.43 1f6v n TRP 25 Ca -0.40 0.00 -0.22 0.00 -1.31 0.00 0.00 57.50 55.57 1f6v n TRP 25 Cb 0.74 0.00 -0.08 0.00 -2.01 0.00 0.00 31.31 29.96 1f6v n TRP 25 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.69 175.54 1f6v s GLN 26 N 4.50 1.98 -0.03 -0.99 2.00 -1.25 -4.34 119.66 121.53 1f6v s GLN 26 Ca 0.00 -0.75 0.05 0.00 -2.00 0.00 0.00 55.36 52.66 1f6v s GLN 26 Cb 0.00 -5.11 -0.07 0.00 0.80 0.00 0.00 33.01 28.63 1f6v s GLN 26 CO 0.00 -4.51 0.07 1.51 -0.50 0.00 0.00 175.29 171.86 1f6v n ILE 27 N 8.31 0.16 0.00 -2.34 0.00 -1.26 -4.35 119.36 119.87 1f6v n ILE 27 Ca 0.43 -0.16 0.00 0.00 0.00 0.00 0.00 62.75 63.02 1f6v n ILE 27 Cb 0.46 -0.21 0.00 0.00 0.00 0.00 0.00 39.64 39.90 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 -1.92 0.00 0.00 9.51 5.15 -1.26 -4.01 115.26 122.73 1f6v n ASN 28 Ca -0.04 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.94 1f6v n ASN 28 Cb 0.38 0.31 0.00 0.00 -0.53 0.00 0.00 39.78 39.94 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 -0.43 0.59 0.01 8.20 0.00 -1.26 -4.85 105.19 107.46 1f6v n GLY 29 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 46.00 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 3.35 0.11 1.61 2.13 -1.26 -4.27 120.64 122.30 1f6v n GLU 30 Ca 0.00 -0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.83 1f6v n GLU 30 Cb 0.00 -1.07 -0.01 0.00 0.27 0.00 0.00 31.44 30.63 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 0.00 0.18 5.31 6.56 -1.91 -3.26 116.57 123.46 1f6v h LYS 31 Ca -0.07 0.00 -0.31 0.00 -1.06 0.00 0.00 60.65 59.21 1f6v h LYS 31 Cb 1.10 0.00 0.02 0.00 -0.57 0.00 0.00 32.23 32.78 1f6v h LYS 31 CO 0.00 0.46 -1.41 1.05 -2.06 0.00 0.00 179.45 177.50 1f6v h GLU 32 N 0.00 0.39 -0.57 3.15 -0.00 -1.80 -3.22 114.58 112.53 1f6v h GLU 32 Ca -0.05 -0.67 0.08 0.00 -0.00 0.00 0.00 59.36 58.72 1f6v h GLU 32 Cb 1.45 0.25 -0.03 0.00 -0.00 0.00 0.00 28.75 30.42 1f6v h GLU 32 CO 0.06 1.31 0.38 1.37 -0.00 0.00 0.00 179.01 182.13 1f6v h LEU 33 N 0.11 0.41 0.54 3.06 8.10 -1.74 -2.42 115.31 123.36 1f6v h LEU 33 Ca -0.21 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.76 1f6v h LEU 33 Cb 2.07 -0.08 0.01 0.00 -0.44 0.00 0.00 40.66 42.21 1f6v h LEU 33 CO 0.23 0.26 -0.26 -0.08 -4.11 0.00 0.00 178.44 174.48 1f6v h GLU 34 N 0.46 -0.69 -0.25 0.17 4.81 -1.60 0.42 114.58 117.89 1f6v h GLU 34 Ca 0.25 0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.58 1f6v h GLU 34 Cb 0.40 0.16 -0.08 0.00 0.63 0.00 0.00 28.75 29.86 1f6v h GLU 34 CO -0.07 -0.41 -0.47 1.25 -0.73 0.00 0.00 179.01 178.58 1f6v h LEU 35 N -0.85 -1.51 -2.01 1.64 7.12 -1.49 0.52 115.31 118.73 1f6v h LEU 35 Ca -0.07 0.20 -0.01 0.00 0.13 0.00 0.00 57.88 58.13 1f6v h LEU 35 Cb 0.60 0.62 -0.00 0.00 -0.53 0.00 0.00 40.66 41.35 1f6v h LEU 35 CO 0.12 -0.42 -0.04 0.25 -0.13 0.00 0.00 178.44 178.22 1f6v h LEU 36 N -0.45 0.00 -0.77 2.25 7.12 -1.49 0.36 115.31 122.33 1f6v h LEU 36 Ca 0.09 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.10 1f6v h LEU 36 Cb 0.62 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.75 1f6v h LEU 36 CO -0.49 0.04 0.00 1.67 -0.13 0.00 0.00 178.44 179.53 1f6v n GLN 37 N -3.24 0.08 -0.58 1.25 7.27 0.18 -2.10 117.38 120.24 1f6v n GLN 37 Ca -0.01 0.55 0.00 0.00 0.07 0.00 0.00 57.00 57.61 1f6v n GLN 37 Cb 0.23 -1.76 -0.00 0.00 2.41 0.00 0.00 30.24 31.12 1f6v n GLN 37 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 1f6v n GLN 38 N -1.93 0.00 0.00 3.69 7.27 -0.43 -4.93 117.38 121.06 1f6v n GLN 38 Ca -0.00 -0.79 0.00 0.00 0.07 0.00 0.00 57.00 56.27 1f6v n GLN 38 Cb 0.04 -0.30 0.00 0.00 2.41 0.00 0.00 30.24 32.39 1f6v n GLN 38 CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 177.06 176.24 1f6v n ILE 39 N 0.03 0.00 1.23 1.69 2.08 -0.01 -4.35 119.36 120.03 1f6v n ILE 39 Ca -0.00 0.00 0.12 0.00 0.56 0.00 0.00 62.75 63.43 1f6v n ILE 39 Cb 0.68 -0.48 0.64 0.00 -0.75 0.00 0.00 39.64 39.73 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 -2.43 2.28 0.43 -1.39 0.00 -1.18 -0.81 120.51 117.41 1f6v n ALA 40 Ca 0.00 -0.12 0.08 0.00 0.00 0.00 0.00 53.44 53.40 1f6v n ALA 40 Cb 0.46 -1.41 -0.11 0.00 0.00 0.00 0.00 19.45 18.40 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 -1.25 1.15 -2.14 0.00 6.02 -1.26 -4.50 117.38 115.40 1f6v n GLN 41 Ca 0.13 -0.07 -0.01 0.00 -0.01 0.00 0.00 57.00 57.04 1f6v n GLN 41 Cb 0.18 -1.32 0.05 0.00 1.02 0.00 0.00 30.24 30.17 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 -1.69 1.32 0.00 -1.09 -0.00 -0.94 -4.96 118.16 110.81 1f6v n LYS 42 Ca 0.00 -3.05 0.00 0.00 -0.00 0.00 0.00 58.31 55.27 1f6v n LYS 42 Cb 0.33 -1.13 0.00 0.00 -0.00 0.00 0.00 35.03 34.23 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 -0.27 0.00 -1.17 -1.58 -0.04 0.01 -0.62 135.00 131.32 1f6v n PRO 43 Ca 0.11 0.01 -0.06 0.00 -0.04 0.00 0.00 63.50 63.52 1f6v n PRO 43 Cb 0.93 -0.68 -0.03 0.00 -0.04 0.00 0.00 33.50 33.69 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 1.48 0.61 0.00 0.55 0.00 -1.26 -0.94 105.19 105.62 1f6v n GLY 44 Ca 0.00 -0.03 0.00 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 1.11 0.00 -1.00 4.61 0.00 -1.26 -3.06 120.51 120.91 1f6v n ALA 45 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1f6v n ALA 45 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1f6v n ALA 45 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1f6v n LEU 46 N 0.00 0.00 0.00 0.00 0.00 -1.26 -3.42 117.00 112.32 1f6v n LEU 46 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 56.01 56.41 1f6v n LEU 46 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.65 1f6v n LEU 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.39 177.93 1f6v n ARG 47 N -0.67 0.00 -0.24 1.96 5.12 1.01 0.61 116.66 124.45 1f6v n ARG 47 Ca 0.00 0.00 -0.07 0.00 -1.93 0.00 0.00 57.85 55.85 1f6v n ARG 47 Cb 0.00 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.24 1f6v n ARG 47 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 1f6v h ILE 48 N 0.00 0.00 0.00 0.55 1.08 -1.67 0.11 117.51 117.58 1f6v h ILE 48 Ca 0.00 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.42 1f6v h ILE 48 Cb 0.00 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 33.74 1f6v h ILE 48 CO 0.00 0.00 -0.43 -0.07 -0.69 0.00 0.00 178.15 176.96 1f6v h LEU 49 N -0.03 0.00 -1.99 1.44 4.07 -0.01 -3.27 115.31 115.52 1f6v h LEU 49 Ca 0.09 0.00 0.01 0.00 0.08 0.00 0.00 57.88 58.06 1f6v h LEU 49 Cb 0.28 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.01 1f6v h LEU 49 CO -0.57 0.21 0.02 -1.13 -1.08 0.00 0.00 178.44 175.90 1f6v h ASN 50 N 0.00 0.01 -1.68 -0.43 -0.00 -0.02 0.35 115.58 113.81 1f6v h ASN 50 Ca -0.02 -0.00 0.49 0.00 -0.00 0.00 0.00 56.30 56.78 1f6v h ASN 50 Cb 1.17 -0.00 -0.08 0.00 -0.00 0.00 0.00 38.32 39.41 1f6v h ASN 50 CO 0.02 0.01 1.19 -0.74 -0.00 0.00 0.00 177.43 177.91 1f6v h HIS 51 N 0.02 0.10 0.00 0.67 2.76 -1.16 0.11 115.15 117.64 1f6v h HIS 51 Ca 0.01 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1f6v h HIS 51 Cb 0.04 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 28.97 1f6v h HIS 51 CO -0.00 -0.04 0.00 0.43 -1.30 0.00 0.00 177.93 177.02 1f6v n SER 52 N -4.13 0.29 0.01 3.26 7.64 -0.65 -4.59 113.62 115.46 1f6v n SER 52 Ca 0.39 -0.68 0.13 0.00 1.01 0.00 0.00 58.87 59.71 1f6v n SER 52 Cb 1.73 0.22 0.36 0.00 -1.01 0.00 0.00 64.21 65.51 1f6v n SER 52 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1f6v n LEU 53 N -0.22 0.38 0.27 -3.43 7.94 0.11 -3.28 117.00 118.78 1f6v n LEU 53 Ca 0.00 0.22 0.18 0.00 -1.11 0.00 0.00 56.01 55.30 1f6v n LEU 53 Cb 0.07 -0.32 0.96 0.00 0.53 0.00 0.00 43.42 44.66 1f6v n LEU 53 CO 0.00 0.05 1.05 -0.09 -1.11 0.00 0.00 177.39 177.28 1f6v h ARG 54 N 0.00 0.00 -0.32 1.96 2.43 -1.48 0.64 114.38 117.61 1f6v h ARG 54 Ca 0.00 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.08 1f6v h ARG 54 Cb 0.54 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 1f6v h ARG 54 CO 0.00 0.00 -0.16 -0.07 -1.51 0.00 0.00 179.97 178.23 1f6v h LEU 55 N 0.00 0.57 -0.86 3.80 -0.00 -1.84 -3.06 115.31 113.93 1f6v h LEU 55 Ca 0.00 -0.17 0.29 0.00 -0.00 0.00 0.00 57.88 58.00 1f6v h LEU 55 Cb 0.02 -0.15 -0.08 0.00 -0.00 0.00 0.00 40.66 40.45 1f6v h LEU 55 CO 0.00 0.75 0.55 0.00 -0.00 0.00 0.00 178.44 179.74 1f6v n ALA 56 N -2.48 0.85 -0.09 1.53 0.00 0.22 0.19 120.51 120.72 1f6v n ALA 56 Ca 0.01 0.52 -0.10 0.00 0.00 0.00 0.00 53.44 53.86 1f6v n ALA 56 Cb 0.36 -0.65 -0.12 0.00 0.00 0.00 0.00 19.45 19.05 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 -2.56 1.58 -1.92 0.00 0.00 -1.17 -3.86 120.51 112.58 1f6v n ALA 57 Ca 0.25 -1.03 -0.29 0.00 0.00 0.00 0.00 53.44 52.36 1f6v n ALA 57 Cb 0.97 -0.07 -0.04 0.00 0.00 0.00 0.00 19.45 20.31 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 -2.41 2.38 -0.25 0.00 0.00 0.50 -4.74 119.30 114.79 1f6v s MET 58 Ca -0.15 0.28 0.11 0.00 0.00 0.00 0.00 55.69 55.93 1f6v s MET 58 Cb 0.06 -4.76 0.71 0.00 0.00 0.00 0.00 34.83 30.83 1f6v s MET 58 CO 0.62 -3.33 1.67 -2.37 0.00 0.00 0.00 175.02 171.60 1f6v n THR 59 N 7.82 2.59 -0.16 10.11 5.66 -1.26 -4.00 114.28 135.04 1f6v n THR 59 Ca 0.35 -1.36 0.00 0.00 -3.05 0.00 0.00 64.05 59.99 1f6v n THR 59 Cb 0.49 -0.35 0.00 0.00 -1.55 0.00 0.00 70.33 68.92 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 0.23 2.02 -0.96 1.79 0.00 -1.26 -5.01 120.51 117.32 1f6v n ALA 60 Ca 0.31 -0.55 -0.14 0.00 0.00 0.00 0.00 53.44 53.06 1f6v n ALA 60 Cb 1.20 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 20.51 1f6v n ALA 60 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1f6v n HIS 61 N -0.11 0.00 -2.47 0.00 -0.00 -1.26 -4.71 115.22 106.67 1f6v n HIS 61 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.33 1f6v n HIS 61 Cb 0.11 -0.32 -0.02 0.00 -0.00 0.00 0.00 29.99 29.76 1f6v n HIS 61 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1f6v s GLY 62 N 0.01 1.23 0.00 1.57 0.00 -1.26 -3.54 107.32 105.34 1f6v s GLY 62 Ca 0.84 -2.52 0.00 0.00 0.00 0.00 0.00 44.72 43.04 1f6v s GLY 62 CO 0.36 2.88 0.00 1.17 0.00 0.00 0.00 173.10 177.51 1f6v n LYS 63 N 8.56 0.00 -3.15 2.90 4.81 -1.26 -5.10 118.16 124.92 1f6v n LYS 63 Ca 0.43 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.92 1f6v n LYS 63 Cb 0.48 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.52 1f6v n LYS 63 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1f6v s GLY 64 N 0.00 -0.65 -0.28 3.14 0.00 -1.23 -5.16 107.32 103.14 1f6v s GLY 64 Ca 0.00 2.42 -0.15 0.00 0.00 0.00 0.00 44.72 46.99 1f6v s GLY 64 CO 0.00 3.98 0.71 -1.83 0.00 0.00 0.00 173.10 175.95 1f6v s GLU 65 N 2.96 0.66 0.00 2.90 -1.05 -1.26 -4.55 118.70 118.35 1f6v s GLU 65 Ca 0.14 1.23 0.00 0.00 -0.15 0.00 0.00 54.97 56.19 1f6v s GLU 65 Cb -0.06 0.29 0.00 0.00 -0.44 0.00 0.00 34.13 33.92 1f6v s GLU 65 CO -0.17 -0.15 0.00 -2.13 0.95 0.00 0.00 175.26 173.75 1f6v n ARG 66 N 4.51 2.25 -2.94 -4.83 3.00 -1.26 -5.01 116.66 112.38 1f6v n ARG 66 Ca -0.18 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 57.52 1f6v n ARG 66 Cb 0.57 0.00 -0.00 0.00 0.00 0.00 0.00 32.46 33.03 1f6v n ARG 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1f6v n VAL 67 N -0.06 -0.31 -3.83 5.15 0.31 -1.26 -4.70 118.33 113.63 1f6v n VAL 67 Ca 0.00 -2.49 0.00 0.00 -0.01 0.00 0.00 64.34 61.84 1f6v n VAL 67 Cb 0.00 0.05 0.00 0.00 -0.91 0.00 0.00 33.84 32.98 1f6v n VAL 67 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1f6v n ASN 68 N 1.68 0.00 -0.24 4.52 5.03 -1.26 -4.84 115.26 120.15 1f6v n ASN 68 Ca 0.15 0.00 0.30 0.00 0.87 0.00 0.00 54.58 55.89 1f6v n ASN 68 Cb 0.58 0.00 0.70 0.00 -1.02 0.00 0.00 39.78 40.04 1f6v n ASN 68 CO 0.00 0.00 0.00 1.05 -1.83 0.00 0.00 177.26 176.48 1f6v h GLU 69 N 0.00 0.06 -0.09 3.52 4.11 -1.76 0.22 114.58 120.65 1f6v h GLU 69 Ca 0.00 -0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.36 1f6v h GLU 69 Cb 0.00 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1f6v h GLU 69 CO 0.00 0.04 -0.19 -0.44 0.07 0.00 0.00 179.01 178.49 1f6v h ASP 70 N 0.07 0.32 -0.46 3.06 5.19 -1.91 -3.24 116.42 119.44 1f6v h ASP 70 Ca 0.49 -0.57 0.08 0.00 -0.62 0.00 0.00 57.03 56.41 1f6v h ASP 70 Cb 1.84 -0.09 -0.08 0.00 0.18 0.00 0.00 39.33 41.18 1f6v h ASP 70 CO -0.05 0.83 -0.15 0.00 -3.12 0.00 0.00 179.24 176.76 1f6v n TYR 71 N -4.55 0.10 -0.13 4.55 9.36 0.76 0.95 117.16 128.19 1f6v n TYR 71 Ca -0.08 0.57 -0.13 0.00 3.32 0.00 0.00 57.90 61.58 1f6v n TYR 71 Cb 0.41 -0.72 -0.08 0.00 -0.63 0.00 0.00 39.34 38.31 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 -1.73 -0.56 2.98 3.38 -1.60 1.02 115.31 118.79 1f6v h LEU 72 Ca 0.19 0.23 -0.03 0.00 0.09 0.00 0.00 57.88 58.36 1f6v h LEU 72 Cb 0.31 0.72 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 1f6v h LEU 72 CO -0.47 -0.40 0.22 0.03 0.09 0.00 0.00 178.44 177.91 1f6v h ARG 73 N -0.39 0.85 0.00 1.13 3.08 0.40 0.27 114.38 119.72 1f6v h ARG 73 Ca 0.09 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1f6v h ARG 73 Cb 0.60 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1f6v h ARG 73 CO -0.58 0.74 0.00 0.94 -1.07 0.00 0.00 179.97 180.00 1f6v n GLN 74 N -4.48 0.12 -0.08 0.04 -0.06 -0.17 0.40 117.38 113.13 1f6v n GLN 74 Ca 0.03 0.21 -0.09 0.00 -2.00 0.00 0.00 57.00 55.15 1f6v n GLN 74 Cb 0.17 -1.50 -0.03 0.00 -4.06 0.00 0.00 30.24 24.82 1f6v n GLN 74 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1f6v n ALA 75 N -1.34 0.68 -0.92 1.69 0.00 0.34 -3.45 120.51 117.51 1f6v n ALA 75 Ca 0.05 -0.61 -0.16 0.00 0.00 0.00 0.00 53.44 52.72 1f6v n ALA 75 Cb 0.10 -0.02 0.20 0.00 0.00 0.00 0.00 19.45 19.73 1f6v n ALA 75 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1f6v n PHE 76 N -4.52 2.56 0.00 0.00 -1.74 -0.31 -4.45 117.46 109.00 1f6v n PHE 76 Ca -0.14 -1.49 0.00 0.00 -0.56 0.00 0.00 57.45 55.25 1f6v n PHE 76 Cb 0.43 -0.79 0.00 0.00 1.52 0.00 0.00 39.48 40.63 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 -0.67 0.00 0.18 3.97 5.12 0.16 -4.74 116.66 120.69 1f6v n ARG 77 Ca 0.48 0.00 0.16 0.00 -1.93 0.00 0.00 57.85 56.56 1f6v n ARG 77 Cb 1.46 -0.16 0.59 0.00 -1.16 0.00 0.00 32.46 33.19 1f6v n ARG 77 CO 0.00 0.00 0.00 1.05 -1.93 0.00 0.00 177.63 176.75 1f6v h GLU 78 N 0.00 0.00 0.00 5.56 -0.00 -1.39 -3.03 114.58 115.71 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 -3.12 0.26 0.00 3.06 4.32 -1.26 -5.07 117.00 115.20 1f6v n LEU 79 Ca 0.05 0.10 0.00 0.00 -0.02 0.00 0.00 56.01 56.14 1f6v n LEU 79 Cb 0.74 -0.35 0.00 0.00 -1.62 0.00 0.00 43.42 42.19 1f6v n LEU 79 CO 0.17 -0.35 0.00 -0.90 -1.22 0.00 0.00 177.39 175.09 1f6v n ASP 80 N -2.01 0.00 -1.26 -1.43 5.68 -1.15 -4.96 116.55 111.43 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 -1.69 0.00 -2.12 4.77 -1.26 -4.93 117.00 111.76 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 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 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 -1.26 0.00 0.00 -1.43 5.75 -1.26 -4.99 116.55 113.36 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 0.42 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.51 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 -0.33 0.00 -0.19 2.12 0.31 -1.26 -4.79 118.33 114.19 1f6v n VAL 83 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 1f6v n VAL 83 Cb 0.00 -0.01 0.20 0.00 -0.91 0.00 0.00 33.84 33.12 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 0.86 0.09 4.52 5.19 -1.93 -0.91 116.42 124.23 1f6v h ASP 84 Ca 0.00 -0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.33 1f6v h ASP 84 Cb 0.00 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.29 1f6v h ASP 84 CO 0.00 0.72 -0.08 2.30 -3.12 0.00 0.00 179.24 179.06 1f6v n ILE 85 N -4.35 0.00 0.00 0.35 -0.00 -1.26 -4.72 119.36 109.38 1f6v n ILE 85 Ca 0.06 -0.18 0.00 0.00 -0.00 0.00 0.00 62.75 62.63 1f6v n ILE 85 Cb 0.12 0.36 0.00 0.00 -0.00 0.00 0.00 39.64 40.12 1f6v n ILE 85 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.55 176.31 1f6v n SER 86 N -0.23 0.00 -1.53 7.28 2.88 -0.35 -4.85 113.62 116.82 1f6v n SER 86 Ca 0.17 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.81 1f6v n SER 86 Cb 0.33 0.00 0.35 0.00 -0.75 0.00 0.00 64.21 64.14 1f6v n SER 86 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1f6v n THR 87 N 0.00 1.63 -4.04 2.46 -1.04 -1.26 -4.83 114.28 107.19 1f6v n THR 87 Ca 0.00 -1.15 -0.33 0.00 -2.04 0.00 0.00 64.05 60.53 1f6v n THR 87 Cb 0.00 0.22 -0.15 0.00 -1.82 0.00 0.00 70.33 68.58 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 -1.63 2.95 0.09 -4.42 1.43 -1.26 -4.94 118.68 110.91 1f6v s LEU 88 Ca 0.51 -0.98 0.00 0.00 -1.03 0.00 0.00 54.13 52.63 1f6v s LEU 88 Cb 0.31 -1.57 0.00 0.00 0.03 0.00 0.00 46.19 44.96 1f6v s LEU 88 CO 0.27 -0.11 0.00 0.00 0.23 0.00 0.00 176.35 176.74 1f6v n LEU 89 N 4.58 -0.32 0.00 1.79 -0.00 -1.26 -4.51 117.00 117.27 1f6v n LEU 89 Ca -0.17 0.16 0.00 0.00 -0.00 0.00 0.00 56.01 56.00 1f6v n LEU 89 Cb 0.46 0.44 0.00 0.00 -0.00 0.00 0.00 43.42 44.32 1f6v n LEU 89 CO 0.25 -0.50 0.00 -2.11 -0.00 0.00 0.00 177.39 175.02 1f6v n ARG 90 N -2.76 -0.59 0.00 1.47 1.85 -1.26 -5.16 116.66 110.22 1f6v n ARG 90 Ca 0.00 0.00 0.13 0.00 -1.00 0.00 0.00 57.85 56.98 1f6v n ARG 90 Cb 0.00 0.00 0.75 0.00 -1.05 0.00 0.00 32.46 32.16 1f6v n ARG 90 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89