#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 4.93 -2.05 1.61 2.88 -1.26 -4.81 113.62 114.93 1f6v n SER 2 Ca 0.00 -3.62 -0.18 0.00 -1.33 0.00 0.00 58.87 53.74 1f6v n SER 2 Cb 0.00 -0.73 0.18 0.00 -0.75 0.00 0.00 64.21 62.91 1f6v n SER 2 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1f6v n ARG 3 N 0.14 2.37 -0.09 -1.46 1.74 -1.26 -4.10 116.66 113.99 1f6v n ARG 3 Ca 0.33 -2.67 0.03 0.00 -0.77 0.00 0.00 57.85 54.77 1f6v n ARG 3 Cb 0.37 -2.06 0.08 0.00 -1.02 0.00 0.00 32.46 29.84 1f6v n ARG 3 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 1f6v n ILE 4 N -0.79 0.88 -0.04 0.55 -6.64 -1.26 -4.71 119.36 107.35 1f6v n ILE 4 Ca 0.50 -0.94 -0.01 0.00 -1.77 0.00 0.00 62.75 60.53 1f6v n ILE 4 Cb 1.49 0.58 -0.00 0.00 -1.44 0.00 0.00 39.64 40.27 1f6v n ILE 4 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1f6v h ALA 5 N 1.24 0.00 -4.40 -1.28 0.00 -2.00 -3.48 119.26 109.34 1f6v h ALA 5 Ca 0.00 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 1f6v h ALA 5 Cb 0.60 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1f6v h ALA 5 CO 0.00 0.13 -0.02 0.36 0.00 0.00 0.00 179.25 179.72 1f6v n LYS 6 N -3.69 1.02 -1.29 0.00 2.85 -1.26 -5.09 118.16 110.69 1f6v n LYS 6 Ca -0.02 -0.52 -0.30 0.00 -1.05 0.00 0.00 58.31 56.42 1f6v n LYS 6 Cb 0.07 -0.02 0.11 0.00 -0.65 0.00 0.00 35.03 34.54 1f6v n LYS 6 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 177.40 176.37 1f6v s ARG 7 N -2.42 1.73 -0.03 -1.58 1.70 -1.26 -5.00 118.95 112.08 1f6v s ARG 7 Ca 0.09 0.88 -0.02 0.00 -0.47 0.00 0.00 55.73 56.21 1f6v s ARG 7 Cb -0.01 -1.86 -0.01 0.00 -0.57 0.00 0.00 34.95 32.50 1f6v s ARG 7 CO 0.06 -1.93 0.19 1.79 -1.08 0.00 0.00 175.30 174.33 1f6v h THR 8 N -1.33 0.00 -4.08 4.99 1.35 -1.87 -3.47 112.91 108.50 1f6v h THR 8 Ca -0.47 -0.34 -0.23 0.00 -0.55 0.00 0.00 66.41 64.82 1f6v h THR 8 Cb 1.26 0.00 0.05 0.00 -1.73 0.00 0.00 68.15 67.74 1f6v h THR 8 CO 0.55 0.00 0.09 0.00 -0.25 0.00 0.00 175.52 175.90 1f6v n ALA 9 N -2.31 -0.08 -1.41 6.62 0.00 -1.26 -4.99 120.51 117.07 1f6v n ALA 9 Ca -0.01 -0.94 -0.17 0.00 0.00 0.00 0.00 53.44 52.31 1f6v n ALA 9 Cb 0.03 0.12 0.16 0.00 0.00 0.00 0.00 19.45 19.76 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 -2.28 2.93 -1.44 0.00 5.41 -1.01 -4.61 119.36 118.37 1f6v n ILE 10 Ca 0.08 -2.63 -0.49 0.00 1.00 0.00 0.00 62.75 60.71 1f6v n ILE 10 Cb 0.29 -0.56 -0.08 0.00 -0.71 0.00 0.00 39.64 38.58 1f6v n ILE 10 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1f6v n ASN 11 N -1.07 1.71 -3.65 4.38 2.85 -1.25 -2.04 115.26 116.19 1f6v n ASN 11 Ca 0.48 0.30 -0.20 0.00 -0.11 0.00 0.00 54.58 55.04 1f6v n ASN 11 Cb 1.19 -1.21 0.00 0.00 1.24 0.00 0.00 39.78 41.01 1f6v n ASN 11 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1f6v n LYS 12 N 8.26 -1.50 -0.96 1.20 4.76 -1.26 -4.69 118.16 123.96 1f6v n LYS 12 Ca 0.46 0.91 -0.31 0.00 -2.87 0.00 0.00 58.31 56.50 1f6v n LYS 12 Cb 0.21 -2.98 -0.01 0.00 -1.84 0.00 0.00 35.03 30.41 1f6v n LYS 12 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1f6v n THR 13 N -2.44 0.75 -0.17 -0.18 -1.04 -0.87 -3.85 114.28 106.47 1f6v n THR 13 Ca -0.26 -0.36 -0.03 0.00 -2.04 0.00 0.00 64.05 61.36 1f6v n THR 13 Cb 0.66 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 69.20 1f6v n THR 13 CO 0.00 0.00 0.00 0.07 -0.64 0.00 0.00 175.07 174.50 1f6v h LYS 14 N 0.37 -0.09 -0.63 -2.82 2.10 -1.92 2.38 116.57 115.97 1f6v h LYS 14 Ca -0.25 0.01 -0.05 0.00 -2.00 0.00 0.00 60.65 58.36 1f6v h LYS 14 Cb 1.04 0.02 -0.03 0.00 -0.90 0.00 0.00 32.23 32.36 1f6v h LYS 14 CO 0.36 -0.06 0.19 -0.22 -2.00 0.00 0.00 179.45 177.73 1f6v h LYS 15 N -0.09 0.97 -0.88 0.07 3.64 -2.00 -0.70 116.57 117.58 1f6v h LYS 15 Ca 0.25 -0.19 -0.17 0.00 -1.27 0.00 0.00 60.65 59.27 1f6v h LYS 15 Cb 0.48 -0.15 -0.10 0.00 -0.41 0.00 0.00 32.23 32.05 1f6v h LYS 15 CO -0.60 0.83 0.21 0.00 -2.27 0.00 0.00 179.45 177.63 1f6v n ALA 16 N -2.45 3.91 0.09 5.00 0.00 0.19 -4.14 120.51 123.10 1f6v n ALA 16 Ca 0.05 -1.49 -0.12 0.00 0.00 0.00 0.00 53.44 51.87 1f6v n ALA 16 Cb 0.21 -1.18 -0.09 0.00 0.00 0.00 0.00 19.45 18.39 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 1.50 0.33 0.22 0.00 1.82 0.53 -1.35 116.42 119.47 1f6v h ASP 17 Ca 0.21 -0.32 0.00 0.00 -0.39 0.00 0.00 57.03 56.53 1f6v h ASP 17 Cb 1.80 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 41.71 1f6v h ASP 17 CO 0.50 1.19 -1.04 0.52 -1.61 0.00 0.00 179.24 178.80 1f6v n VAL 18 N -3.56 0.06 -0.02 2.25 0.31 -1.26 -3.63 118.33 112.48 1f6v n VAL 18 Ca -0.06 -0.14 -0.18 0.00 -0.01 0.00 0.00 64.34 63.95 1f6v n VAL 18 Cb 0.93 0.51 -0.14 0.00 -0.91 0.00 0.00 33.84 34.23 1f6v n VAL 18 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1f6v n LYS 19 N -1.74 0.72 -0.16 5.55 -0.00 -1.22 -4.00 118.16 117.30 1f6v n LYS 19 Ca 0.03 0.25 -0.11 0.00 -0.00 0.00 0.00 58.31 58.48 1f6v n LYS 19 Cb 0.39 -1.70 -0.00 0.00 -0.00 0.00 0.00 35.03 33.72 1f6v n LYS 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1f6v h ALA 20 N 0.28 0.63 0.00 0.58 0.00 -1.41 -1.26 119.26 118.08 1f6v h ALA 20 Ca -0.42 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.18 1f6v h ALA 20 Cb 2.03 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.65 1f6v h ALA 20 CO 0.07 0.49 0.30 0.82 0.00 0.00 0.00 179.25 180.93 1f6v h ILE 21 N 0.70 0.00 0.00 0.00 5.03 -1.71 0.91 117.51 122.44 1f6v h ILE 21 Ca 0.12 0.00 -0.15 0.00 -0.12 0.00 0.00 64.86 64.71 1f6v h ILE 21 Cb 0.60 0.67 -0.02 0.00 -3.03 0.00 0.00 36.82 35.03 1f6v h ILE 21 CO 0.04 0.00 -1.14 0.00 -0.68 0.00 0.00 178.15 176.36 1f6v n ALA 22 N -1.88 0.74 -0.24 1.87 0.00 -0.54 -4.38 120.51 116.08 1f6v n ALA 22 Ca -0.02 -0.60 0.06 0.00 0.00 0.00 0.00 53.44 52.88 1f6v n ALA 22 Cb 0.35 -0.17 0.28 0.00 0.00 0.00 0.00 19.45 19.91 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 -4.48 4.12 -0.12 0.00 2.03 -0.80 -4.45 116.55 112.85 1f6v n ASP 23 Ca -0.24 -2.52 -0.26 0.00 0.52 0.00 0.00 54.79 52.29 1f6v n ASP 23 Cb 0.54 -0.57 -0.11 0.00 -0.72 0.00 0.00 41.12 40.26 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 0.61 1.05 -2.02 -1.67 0.00 0.31 -3.64 120.51 115.16 1f6v n ALA 24 Ca 0.20 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.79 1f6v n ALA 24 Cb 0.83 -0.18 0.00 0.00 0.00 0.00 0.00 19.45 20.10 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 -4.19 0.00 -1.95 0.00 8.01 -1.26 -4.62 117.44 113.43 1f6v n TRP 25 Ca -0.45 0.00 -0.25 0.00 -1.31 0.00 0.00 57.50 55.50 1f6v n TRP 25 Cb 0.83 0.00 -0.07 0.00 -2.01 0.00 0.00 31.31 30.06 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 4.35 2.22 -0.01 -0.99 -0.44 -1.25 -4.38 119.66 119.17 1f6v s GLN 26 Ca 0.00 -0.75 0.06 0.00 -2.50 0.00 0.00 55.36 52.17 1f6v s GLN 26 Cb 0.00 -5.13 -0.09 0.00 -1.64 0.00 0.00 33.01 26.15 1f6v s GLN 26 CO 0.00 -4.16 0.13 1.51 0.50 0.00 0.00 175.29 173.28 1f6v n ILE 27 N 8.10 0.00 0.00 -2.34 0.00 -1.26 -4.46 119.36 119.40 1f6v n ILE 27 Ca 0.43 -0.14 0.00 0.00 0.00 0.00 0.00 62.75 63.05 1f6v n ILE 27 Cb 0.46 0.37 0.00 0.00 0.00 0.00 0.00 39.64 40.47 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 -1.70 0.00 0.00 9.51 5.15 -1.26 -3.56 115.26 123.40 1f6v n ASN 28 Ca -0.01 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.97 1f6v n ASN 28 Cb 0.15 0.05 0.00 0.00 -0.53 0.00 0.00 39.78 39.46 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 -1.35 2.20 0.01 8.20 0.00 -1.26 -4.80 105.19 108.18 1f6v n GLY 29 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.46 3.18 0.12 1.61 2.13 -1.26 -4.21 120.64 121.76 1f6v n GLU 30 Ca 0.00 -0.00 0.08 0.00 0.66 0.00 0.00 57.16 57.90 1f6v n GLU 30 Cb 0.00 -1.05 0.03 0.00 0.27 0.00 0.00 31.44 30.69 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 0.04 5.31 6.56 -1.91 -3.31 116.57 123.25 1f6v h LYS 31 Ca -0.04 0.00 -0.30 0.00 -1.06 0.00 0.00 60.65 59.24 1f6v h LYS 31 Cb 0.97 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.59 1f6v h LYS 31 CO 0.00 0.13 -1.73 1.05 -2.06 0.00 0.00 179.45 176.84 1f6v h GLU 32 N 0.00 0.07 -0.34 3.15 -0.00 -1.80 -3.30 114.58 112.36 1f6v h GLU 32 Ca -0.03 -0.13 -0.01 0.00 -0.00 0.00 0.00 59.36 59.19 1f6v h GLU 32 Cb 1.17 0.05 -0.02 0.00 -0.00 0.00 0.00 28.75 29.95 1f6v h GLU 32 CO 0.02 0.71 0.19 1.37 -0.00 0.00 0.00 179.01 181.30 1f6v h LEU 33 N 0.02 0.41 0.64 3.06 8.10 -1.73 -2.74 115.31 123.06 1f6v h LEU 33 Ca -0.30 -0.02 -0.03 0.00 0.11 0.00 0.00 57.88 57.64 1f6v h LEU 33 Cb 2.01 -0.10 0.01 0.00 -0.44 0.00 0.00 40.66 42.13 1f6v h LEU 33 CO 0.09 0.33 -0.31 -0.08 -4.11 0.00 0.00 178.44 174.36 1f6v h GLU 34 N 0.47 -0.82 -0.47 0.17 4.81 -1.66 0.20 114.58 117.27 1f6v h GLU 34 Ca 0.12 0.06 0.08 0.00 -0.13 0.00 0.00 59.36 59.49 1f6v h GLU 34 Cb 0.01 0.19 -0.10 0.00 0.63 0.00 0.00 28.75 29.48 1f6v h GLU 34 CO -0.02 -0.53 -0.38 1.25 -0.73 0.00 0.00 179.01 178.60 1f6v h LEU 35 N -1.19 -1.28 -1.73 1.64 7.12 -1.61 0.63 115.31 118.90 1f6v h LEU 35 Ca -0.09 0.22 -0.04 0.00 0.13 0.00 0.00 57.88 58.10 1f6v h LEU 35 Cb 0.68 0.59 -0.01 0.00 -0.53 0.00 0.00 40.66 41.39 1f6v h LEU 35 CO 0.14 -0.34 -0.17 0.25 -0.13 0.00 0.00 178.44 178.20 1f6v h LEU 36 N -0.26 0.00 -1.84 2.25 7.12 -1.54 0.62 115.31 121.67 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 0.56 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.69 1f6v h LEU 36 CO -0.60 0.17 0.13 -0.61 -0.13 0.00 0.00 178.44 177.39 1f6v h GLN 37 N 0.00 0.00 0.00 1.25 4.15 0.36 -1.79 115.11 119.07 1f6v h GLN 37 Ca -0.00 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 1f6v h GLN 37 Cb 0.40 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.06 1f6v h GLN 37 CO 0.02 0.00 -0.53 1.04 -1.93 0.00 0.00 178.83 177.43 1f6v n GLN 38 N -2.55 0.00 0.00 1.69 1.13 -0.49 -4.87 117.38 112.29 1f6v n GLN 38 Ca -0.02 -1.06 0.00 0.00 -1.94 0.00 0.00 57.00 53.99 1f6v n GLN 38 Cb 0.17 -0.45 0.00 0.00 0.11 0.00 0.00 30.24 30.07 1f6v n GLN 38 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1f6v n ILE 39 N 0.04 0.00 1.03 5.09 2.08 0.09 -4.38 119.36 123.31 1f6v n ILE 39 Ca 0.00 0.00 0.13 0.00 0.56 0.00 0.00 62.75 63.44 1f6v n ILE 39 Cb 0.73 -0.48 0.60 0.00 -0.75 0.00 0.00 39.64 39.74 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 -2.41 2.25 0.69 -1.39 0.00 -1.15 -1.73 120.51 116.77 1f6v n ALA 40 Ca 0.00 -0.10 0.10 0.00 0.00 0.00 0.00 53.44 53.44 1f6v n ALA 40 Cb 0.44 -1.43 -0.13 0.00 0.00 0.00 0.00 19.45 18.33 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 -1.43 0.32 -1.41 0.00 6.02 -1.26 -4.43 117.38 115.19 1f6v n GLN 41 Ca 0.08 -0.06 0.03 0.00 -0.01 0.00 0.00 57.00 57.05 1f6v n GLN 41 Cb 0.28 -1.48 0.08 0.00 1.02 0.00 0.00 30.24 30.13 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 -1.70 0.79 -1.51 -1.09 -0.00 -1.05 -5.09 118.16 108.51 1f6v n LYS 42 Ca 0.02 -2.62 -0.30 0.00 -0.00 0.00 0.00 58.31 55.41 1f6v n LYS 42 Cb 0.39 -0.72 0.19 0.00 -0.00 0.00 0.00 35.03 34.88 1f6v n LYS 42 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1f6v s PRO 43 N -1.46 0.20 0.00 -1.58 0.04 -0.71 -2.40 135.00 129.09 1f6v s PRO 43 Ca 0.35 -0.05 0.00 0.00 0.04 0.00 0.00 61.00 61.34 1f6v s PRO 43 Cb 0.38 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 33.16 1f6v s PRO 43 CO -0.12 -2.77 0.56 0.41 0.04 0.00 0.00 177.00 175.12 1f6v n GLY 44 N -2.30 0.51 0.00 0.56 0.00 -1.26 -4.38 105.19 98.31 1f6v n GLY 44 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 0.00 -0.28 4.61 0.00 -1.26 -4.70 120.51 118.87 1f6v n ALA 45 Ca 0.00 0.00 0.25 0.00 0.00 0.00 0.00 53.44 53.69 1f6v n ALA 45 Cb 0.55 0.00 0.58 0.00 0.00 0.00 0.00 19.45 20.59 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 0.00 0.29 -0.59 0.00 7.12 -1.90 -0.26 115.31 119.98 1f6v h LEU 46 Ca 0.00 0.05 0.12 0.00 0.13 0.00 0.00 57.88 58.18 1f6v h LEU 46 Cb 0.00 -0.00 -0.11 0.00 -0.53 0.00 0.00 40.66 40.02 1f6v h LEU 46 CO 0.00 0.08 -0.10 -0.09 -0.13 0.00 0.00 178.44 178.20 1f6v h ARG 47 N 0.27 0.03 -0.05 1.25 9.65 -0.03 1.35 114.38 126.86 1f6v h ARG 47 Ca 0.53 -0.00 0.01 0.00 -1.10 0.00 0.00 59.98 59.42 1f6v h ARG 47 Cb 1.58 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 30.14 1f6v h ARG 47 CO -0.17 0.02 -0.10 0.82 2.80 0.00 0.00 179.97 183.34 1f6v h ILE 48 N 0.04 0.00 0.00 1.20 2.04 -0.76 0.36 117.51 120.38 1f6v h ILE 48 Ca 0.29 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.15 1f6v h ILE 48 Cb 0.46 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 1f6v h ILE 48 CO -0.57 0.00 0.00 0.18 0.00 0.00 0.00 178.15 177.76 1f6v n LEU 49 N -3.12 0.00 0.23 1.44 4.32 -1.04 -2.53 117.00 116.29 1f6v n LEU 49 Ca -0.01 0.31 0.09 0.00 -0.02 0.00 0.00 56.01 56.38 1f6v n LEU 49 Cb 0.06 -0.31 0.55 0.00 -1.62 0.00 0.00 43.42 42.11 1f6v n LEU 49 CO 0.01 -0.10 0.85 -1.13 -1.22 0.00 0.00 177.39 175.80 1f6v h ASN 50 N 0.00 0.00 -1.61 -1.43 -0.00 0.60 0.46 115.58 113.60 1f6v h ASN 50 Ca 0.00 0.00 0.47 0.00 -0.00 0.00 0.00 56.30 56.77 1f6v h ASN 50 Cb 0.20 0.00 -0.07 0.00 -0.00 0.00 0.00 38.32 38.46 1f6v h ASN 50 CO 0.00 0.22 1.16 -0.74 -0.00 0.00 0.00 177.43 178.07 1f6v h HIS 51 N 0.00 0.02 0.00 0.67 2.76 -1.10 -0.50 115.15 116.99 1f6v h HIS 51 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1f6v h HIS 51 Cb 0.55 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.51 1f6v h HIS 51 CO 0.00 -0.00 0.00 0.45 -1.30 0.00 0.00 177.93 177.08 1f6v n SER 52 N -4.06 0.25 0.14 3.26 2.88 -0.93 -4.61 113.62 110.56 1f6v n SER 52 Ca 0.36 -0.82 0.12 0.00 -1.33 0.00 0.00 58.87 57.19 1f6v n SER 52 Cb 1.66 0.07 0.08 0.00 -0.75 0.00 0.00 64.21 65.27 1f6v n SER 52 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1f6v h LEU 53 N 0.00 0.00 -1.88 2.46 5.85 0.15 -3.13 115.31 118.75 1f6v h LEU 53 Ca 0.00 -0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.80 1f6v h LEU 53 Cb 0.27 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1f6v h LEU 53 CO 0.00 0.01 0.47 -0.09 -0.34 0.00 0.00 178.44 178.49 1f6v h ARG 54 N 0.00 0.00 -0.81 1.25 2.43 -1.51 0.46 114.38 116.19 1f6v h ARG 54 Ca 0.00 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.20 1f6v h ARG 54 Cb 0.98 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.48 1f6v h ARG 54 CO 0.00 0.00 0.53 -0.07 -1.51 0.00 0.00 179.97 178.92 1f6v h LEU 55 N 0.00 0.88 -0.42 3.80 -0.00 -1.81 -2.71 115.31 115.04 1f6v h LEU 55 Ca 0.15 -0.01 0.18 0.00 -0.00 0.00 0.00 57.88 58.20 1f6v h LEU 55 Cb 1.09 -0.20 -0.07 0.00 -0.00 0.00 0.00 40.66 41.47 1f6v h LEU 55 CO -0.00 0.62 0.23 0.00 -0.00 0.00 0.00 178.44 179.29 1f6v n ALA 56 N -2.33 0.44 -0.11 1.53 0.00 0.16 0.27 120.51 120.47 1f6v n ALA 56 Ca 0.09 0.42 -0.15 0.00 0.00 0.00 0.00 53.44 53.81 1f6v n ALA 56 Cb 0.07 -0.43 -0.14 0.00 0.00 0.00 0.00 19.45 18.95 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 -2.69 1.44 -1.55 0.00 0.00 -1.04 -3.74 120.51 112.92 1f6v n ALA 57 Ca 0.16 -1.16 -0.21 0.00 0.00 0.00 0.00 53.44 52.22 1f6v n ALA 57 Cb 0.54 -0.19 -0.06 0.00 0.00 0.00 0.00 19.45 19.74 1f6v n ALA 57 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1f6v n MET 58 N -3.06 0.70 -0.96 0.00 0.00 0.76 -4.71 117.12 109.86 1f6v n MET 58 Ca -0.39 -0.55 -0.00 0.00 0.00 0.00 0.00 57.70 56.76 1f6v n MET 58 Cb 1.06 -3.55 0.35 0.00 0.00 0.00 0.00 33.22 31.08 1f6v n MET 58 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1f6v n THR 59 N 8.47 2.86 -1.27 1.12 5.66 -1.26 -4.10 114.28 125.76 1f6v n THR 59 Ca 0.44 -1.57 0.01 0.00 -3.05 0.00 0.00 64.05 59.89 1f6v n THR 59 Cb 0.46 -0.32 0.01 0.00 -1.55 0.00 0.00 70.33 68.93 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 0.15 1.62 -0.31 1.79 0.00 -1.26 -4.86 120.51 117.63 1f6v n ALA 60 Ca 0.35 -0.97 0.24 0.00 0.00 0.00 0.00 53.44 53.06 1f6v n ALA 60 Cb 1.30 -0.23 0.45 0.00 0.00 0.00 0.00 19.45 20.97 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 -0.21 0.90 -3.68 0.00 -0.00 -1.26 -4.76 115.22 106.23 1f6v n HIS 61 Ca 0.02 1.13 -0.24 0.00 -0.00 0.00 0.00 57.72 58.63 1f6v n HIS 61 Cb 0.56 -1.40 0.06 0.00 -0.00 0.00 0.00 29.99 29.21 1f6v n HIS 61 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1f6v n GLY 62 N -1.34 -0.44 0.57 1.57 0.00 -1.26 -4.69 105.19 99.60 1f6v n GLY 62 Ca 0.30 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 -4.58 0.00 -3.31 1.61 4.81 -1.26 -5.06 118.16 110.37 1f6v n LYS 63 Ca -0.11 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.14 1f6v n LYS 63 Cb 0.60 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.57 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 -1.37 0.18 -0.30 3.14 0.00 -1.26 -5.08 107.32 102.64 1f6v s GLY 64 Ca 0.00 -1.33 -0.04 0.00 0.00 0.00 0.00 44.72 43.36 1f6v s GLY 64 CO 0.00 2.65 0.63 -1.83 0.00 0.00 0.00 173.10 174.55 1f6v s GLU 65 N 1.03 0.56 0.00 2.90 4.04 -1.25 -3.67 118.70 122.30 1f6v s GLU 65 Ca 0.22 1.08 0.00 0.00 0.04 0.00 0.00 54.97 56.31 1f6v s GLU 65 Cb -0.10 0.62 0.00 0.00 0.02 0.00 0.00 34.13 34.66 1f6v s GLU 65 CO -0.06 -0.51 0.00 0.54 -1.84 0.00 0.00 175.26 173.40 1f6v n ARG 66 N 5.43 0.00 0.00 -4.83 1.74 -1.26 -4.97 116.66 112.77 1f6v n ARG 66 Ca -0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 1f6v n ARG 66 Cb 0.51 -0.01 0.00 0.00 -1.02 0.00 0.00 32.46 31.94 1f6v n ARG 66 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1f6v n VAL 67 N 0.00 0.00 0.00 1.55 0.31 -1.26 -4.81 118.33 114.12 1f6v n VAL 67 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1f6v n VAL 67 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1f6v n VAL 67 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1f6v n ASN 68 N -0.29 0.00 -0.23 4.52 4.05 -1.26 -4.15 115.26 117.90 1f6v n ASN 68 Ca 0.00 0.00 -0.04 0.00 0.45 0.00 0.00 54.58 54.99 1f6v n ASN 68 Cb 0.00 0.00 -0.02 0.00 1.23 0.00 0.00 39.78 40.99 1f6v n ASN 68 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1f6v n GLU 69 N 0.00 -0.20 -0.17 1.20 1.02 -1.23 0.93 120.64 122.19 1f6v n GLU 69 Ca 0.00 0.87 -0.06 0.00 -0.02 0.00 0.00 57.16 57.95 1f6v n GLU 69 Cb 0.00 -1.29 -0.00 0.00 -0.02 0.00 0.00 31.44 30.13 1f6v n GLU 69 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1f6v h ASP 70 N 0.00 -1.11 -0.28 1.62 3.32 -1.92 -1.56 116.42 116.49 1f6v h ASP 70 Ca 0.14 0.21 0.05 0.00 0.02 0.00 0.00 57.03 57.45 1f6v h ASP 70 Cb 0.28 0.54 -0.05 0.00 0.22 0.00 0.00 39.33 40.33 1f6v h ASP 70 CO -0.55 -0.31 -0.09 0.00 -1.72 0.00 0.00 179.24 176.57 1f6v n TYR 71 N -5.43 0.05 0.10 4.55 9.36 0.27 0.12 117.16 126.18 1f6v n TYR 71 Ca 0.03 0.35 -0.16 0.00 3.32 0.00 0.00 57.90 61.44 1f6v n TYR 71 Cb 0.35 -0.63 -0.09 0.00 -0.63 0.00 0.00 39.34 38.34 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 -1.52 0.04 2.98 3.38 -1.37 0.82 115.31 119.64 1f6v h LEU 72 Ca 0.11 0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.25 1f6v h LEU 72 Cb 0.18 0.57 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1f6v h LEU 72 CO -0.28 -0.54 -0.02 0.03 0.09 0.00 0.00 178.44 177.72 1f6v h ARG 73 N -0.71 -0.06 0.00 1.13 3.08 0.86 0.11 114.38 118.79 1f6v h ARG 73 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1f6v h ARG 73 Cb 0.74 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.80 1f6v h ARG 73 CO -0.30 -0.01 0.08 0.37 -1.07 0.00 0.00 179.97 179.04 1f6v h GLN 74 N -0.09 0.00 0.00 0.04 5.75 -0.70 1.04 115.11 121.16 1f6v h GLN 74 Ca -0.01 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.49 1f6v h GLN 74 Cb 0.07 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.62 1f6v h GLN 74 CO 0.01 0.00 -0.35 0.00 -2.65 0.00 0.00 178.83 175.84 1f6v h ALA 75 N 1.80 0.00 -0.86 3.38 0.00 0.30 -3.09 119.26 120.80 1f6v h ALA 75 Ca 0.00 -0.35 -0.42 0.00 0.00 0.00 0.00 54.91 54.14 1f6v h ALA 75 Cb 0.15 0.34 -0.25 0.00 0.00 0.00 0.00 17.79 18.03 1f6v h ALA 75 CO 0.00 0.34 0.53 1.97 0.00 0.00 0.00 179.25 182.09 1f6v n PHE 76 N -4.67 2.69 0.00 0.00 -1.74 -0.00 -4.42 117.46 109.32 1f6v n PHE 76 Ca -0.05 -1.60 0.00 0.00 -0.56 0.00 0.00 57.45 55.23 1f6v n PHE 76 Cb 0.18 -0.84 0.00 0.00 1.52 0.00 0.00 39.48 40.35 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 -0.82 0.00 0.25 3.97 5.12 0.36 -4.76 116.66 120.78 1f6v n ARG 77 Ca 0.51 0.00 0.13 0.00 -1.93 0.00 0.00 57.85 56.56 1f6v n ARG 77 Cb 1.52 -0.21 0.71 0.00 -1.16 0.00 0.00 32.46 33.31 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 -1.35 -3.21 114.58 115.58 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 -2.56 0.09 0.00 3.06 4.32 -1.26 -5.07 117.00 115.58 1f6v n LEU 79 Ca -0.02 0.03 0.00 0.00 -0.02 0.00 0.00 56.01 56.00 1f6v n LEU 79 Cb 0.25 -0.32 0.00 0.00 -1.62 0.00 0.00 43.42 41.72 1f6v n LEU 79 CO 0.12 -0.32 0.00 -0.90 -1.22 0.00 0.00 177.39 175.06 1f6v n ASP 80 N -2.09 0.00 -1.19 -1.43 5.68 -1.22 -4.97 116.55 111.33 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 -1.59 0.00 -2.12 4.77 -1.26 -4.94 117.00 111.86 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 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 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 -1.19 0.00 0.00 -1.43 5.75 -1.26 -5.01 116.55 113.41 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 0.40 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 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 -0.12 2.12 0.31 -1.26 -4.81 118.33 114.02 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 0.00 0.25 0.00 -0.91 0.00 0.00 33.84 33.18 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 0.72 -0.24 4.52 5.19 -1.95 -0.87 116.42 123.79 1f6v h ASP 84 Ca 0.00 -0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.32 1f6v h ASP 84 Cb 0.00 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.33 1f6v h ASP 84 CO 0.00 0.65 0.00 2.30 -3.12 0.00 0.00 179.24 179.07 1f6v n ILE 85 N -4.33 0.31 -1.58 0.35 -0.00 -1.26 -4.82 119.36 108.01 1f6v n ILE 85 Ca 0.04 -0.41 -0.15 0.00 -0.00 0.00 0.00 62.75 62.23 1f6v n ILE 85 Cb 0.16 0.37 0.10 0.00 -0.00 0.00 0.00 39.64 40.27 1f6v n ILE 85 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 1f6v n SER 86 N 0.46 0.12 -1.09 7.28 3.41 -0.33 -4.82 113.62 118.65 1f6v n SER 86 Ca 0.15 -1.29 0.12 0.00 -0.26 0.00 0.00 58.87 57.59 1f6v n SER 86 Cb 0.34 -0.52 0.18 0.00 -0.26 0.00 0.00 64.21 63.95 1f6v n SER 86 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1f6v n THR 87 N -2.89 0.39 -1.26 6.66 -2.24 -1.26 -4.17 114.28 109.51 1f6v n THR 87 Ca 0.09 -0.69 -0.10 0.00 -2.27 0.00 0.00 64.05 61.07 1f6v n THR 87 Cb 0.31 1.11 0.22 0.00 -2.10 0.00 0.00 70.33 69.86 1f6v n THR 87 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1f6v n LEU 88 N 1.43 5.40 -0.05 3.22 4.77 -1.26 -4.38 117.00 126.13 1f6v n LEU 88 Ca 0.18 -3.55 -0.02 0.00 -0.03 0.00 0.00 56.01 52.59 1f6v n LEU 88 Cb 0.60 -0.72 -0.12 0.00 -2.33 0.00 0.00 43.42 40.85 1f6v n LEU 88 CO 0.15 1.05 -0.88 -0.11 -1.33 0.00 0.00 177.39 176.27 1f6v n LEU 89 N -0.89 0.00 0.00 2.23 -0.00 -1.26 -5.00 117.00 112.08 1f6v n LEU 89 Ca 0.43 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 56.43 1f6v n LEU 89 Cb 1.32 0.25 0.01 0.00 -0.00 0.00 0.00 43.42 44.99 1f6v n LEU 89 CO 0.38 0.25 0.04 -1.14 -0.00 0.00 0.00 177.39 176.91 1f6v n ARG 90 N -2.38 0.28 0.00 1.96 3.00 -1.26 -5.12 116.66 113.14 1f6v n ARG 90 Ca -0.17 -0.12 0.12 0.00 -0.00 0.00 0.00 57.85 57.68 1f6v n ARG 90 Cb 0.80 -0.05 0.19 0.00 0.00 0.00 0.00 32.46 33.39 1f6v n ARG 90 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90