#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 0.00 -3.65 1.61 7.64 -1.26 -4.82 113.62 113.14 1f6v n SER 2 Ca 0.00 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.48 1f6v n SER 2 Cb 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.21 1f6v n SER 2 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1f6v n ARG 3 N -0.25 5.11 -2.63 1.43 3.00 -1.26 -5.02 116.66 117.05 1f6v n ARG 3 Ca 0.00 -4.66 -0.32 0.00 -0.01 0.00 0.00 57.85 52.85 1f6v n ARG 3 Cb 0.00 -2.46 -0.05 0.00 0.00 0.00 0.00 32.46 29.95 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 -4.06 4.51 0.32 0.55 -5.25 -1.26 -5.01 121.20 111.00 1f6v s ILE 4 Ca 0.38 1.25 -0.28 0.00 -0.99 0.00 0.00 60.65 61.01 1f6v s ILE 4 Cb 0.17 -3.67 -0.10 0.00 2.95 0.00 0.00 42.46 41.81 1f6v s ILE 4 CO -0.09 -0.51 1.17 0.00 -1.79 0.00 0.00 174.94 173.72 1f6v s ALA 5 N -2.41 3.38 -2.10 2.27 0.00 -1.26 -4.90 121.76 116.74 1f6v s ALA 5 Ca 0.59 1.01 0.14 0.00 0.00 0.00 0.00 51.96 53.70 1f6v s ALA 5 Cb -0.10 -3.38 0.52 0.00 0.00 0.00 0.00 23.12 20.17 1f6v s ALA 5 CO 0.24 -0.37 1.38 0.36 0.00 0.00 0.00 175.76 177.37 1f6v n LYS 6 N 0.84 1.58 -2.83 0.00 2.85 -1.26 -4.86 118.16 114.48 1f6v n LYS 6 Ca 0.00 -0.89 -0.18 0.00 -1.05 0.00 0.00 58.31 56.20 1f6v n LYS 6 Cb 0.44 -1.28 0.06 0.00 -0.65 0.00 0.00 35.03 33.60 1f6v n LYS 6 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1f6v n ARG 7 N 0.16 0.65 0.00 -1.58 5.12 -1.26 -5.10 116.66 114.66 1f6v n ARG 7 Ca 0.12 -2.83 0.00 0.00 -1.93 0.00 0.00 57.85 53.21 1f6v n ARG 7 Cb 0.24 -0.18 0.00 0.00 -1.16 0.00 0.00 32.46 31.36 1f6v n ARG 7 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1f6v n THR 8 N -2.11 0.00 -3.23 0.55 -1.04 -1.26 -4.96 114.28 102.23 1f6v n THR 8 Ca 0.14 0.05 -0.20 0.00 -2.04 0.00 0.00 64.05 61.99 1f6v n THR 8 Cb 0.54 -0.13 0.00 0.00 -1.82 0.00 0.00 70.33 68.93 1f6v n THR 8 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1f6v s ALA 9 N -3.84 4.07 -0.95 2.41 0.00 -1.26 -5.03 121.76 117.16 1f6v s ALA 9 Ca 0.00 -1.33 -0.03 0.00 0.00 0.00 0.00 51.96 50.60 1f6v s ALA 9 Cb 0.00 -1.86 0.24 0.00 0.00 0.00 0.00 23.12 21.50 1f6v s ALA 9 CO 0.00 -0.21 0.87 -0.89 0.00 0.00 0.00 175.76 175.53 1f6v n ILE 10 N -1.84 3.39 -0.48 0.00 -0.00 0.95 -4.50 119.36 116.88 1f6v n ILE 10 Ca 0.01 -5.19 -0.30 0.00 -0.00 0.00 0.00 62.75 57.27 1f6v n ILE 10 Cb 0.58 -2.42 0.28 0.00 -0.00 0.00 0.00 39.64 38.08 1f6v n ILE 10 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.55 176.76 1f6v s ASN 11 N 0.11 -0.78 -0.94 4.38 3.04 0.40 -4.52 114.94 116.63 1f6v s ASN 11 Ca 0.29 0.82 -0.18 0.00 0.04 0.00 0.00 52.86 53.82 1f6v s ASN 11 Cb -0.07 -1.16 -0.27 0.00 -1.54 0.00 0.00 41.25 38.21 1f6v s ASN 11 CO -0.11 -5.19 2.27 2.29 -3.04 0.00 0.00 177.10 173.32 1f6v n LYS 12 N -5.51 0.00 -0.83 0.43 2.85 -1.26 -4.78 118.16 109.06 1f6v n LYS 12 Ca 0.13 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 57.05 1f6v n LYS 12 Cb 0.60 -1.17 0.11 0.00 -0.65 0.00 0.00 35.03 33.92 1f6v n LYS 12 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 1f6v n THR 13 N 6.08 0.00 -0.29 0.58 5.66 -1.26 -4.17 114.28 120.88 1f6v n THR 13 Ca 0.63 -0.26 0.07 0.00 -3.05 0.00 0.00 64.05 61.44 1f6v n THR 13 Cb 0.08 -0.44 0.22 0.00 -1.55 0.00 0.00 70.33 68.65 1f6v n THR 13 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 1f6v h LYS 14 N -1.51 0.55 0.08 1.09 1.57 -1.97 0.69 116.57 117.06 1f6v h LYS 14 Ca -0.45 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1f6v h LYS 14 Cb 1.31 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 1f6v h LYS 14 CO 0.32 0.36 -0.09 0.87 -0.57 0.00 0.00 179.45 180.34 1f6v h LYS 15 N 0.56 -0.18 -0.91 3.15 1.79 -1.99 -1.29 116.57 117.71 1f6v h LYS 15 Ca 0.46 0.01 -0.18 0.00 -2.18 0.00 0.00 60.65 58.77 1f6v h LYS 15 Cb 0.69 0.04 -0.11 0.00 -1.58 0.00 0.00 32.23 31.27 1f6v h LYS 15 CO -0.39 -0.12 0.22 0.00 -1.08 0.00 0.00 179.45 178.09 1f6v n ALA 16 N -2.26 3.86 0.07 3.86 0.00 -0.31 -4.17 120.51 121.56 1f6v n ALA 16 Ca -0.07 -1.41 -0.13 0.00 0.00 0.00 0.00 53.44 51.84 1f6v n ALA 16 Cb 0.13 -1.18 -0.04 0.00 0.00 0.00 0.00 19.45 18.35 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 1.22 0.47 0.40 0.00 3.58 0.16 -0.98 116.42 121.27 1f6v h ASP 17 Ca 0.22 -0.39 -0.13 0.00 0.42 0.00 0.00 57.03 57.15 1f6v h ASP 17 Cb 1.77 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 42.65 1f6v h ASP 17 CO 0.49 1.19 -1.72 0.52 -2.88 0.00 0.00 179.24 176.84 1f6v n VAL 18 N -3.72 0.77 0.06 2.25 0.31 -1.26 -3.55 118.33 113.20 1f6v n VAL 18 Ca -0.06 -0.64 -0.06 0.00 -0.01 0.00 0.00 64.34 63.57 1f6v n VAL 18 Cb 0.84 -0.39 -0.11 0.00 -0.91 0.00 0.00 33.84 33.27 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 0.00 0.00 5.55 2.10 -1.78 -3.13 116.57 119.31 1f6v h LYS 19 Ca -0.16 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.43 1f6v h LYS 19 Cb 1.44 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.76 1f6v h LYS 19 CO 0.02 0.84 -0.29 0.00 -2.00 0.00 0.00 179.45 178.03 1f6v h ALA 20 N 1.07 0.87 0.00 0.07 0.00 -1.32 -1.13 119.26 118.82 1f6v h ALA 20 Ca -0.06 -0.26 -0.19 0.00 0.00 0.00 0.00 54.91 54.40 1f6v h ALA 20 Cb 1.76 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.47 1f6v h ALA 20 CO 0.11 0.36 -0.89 0.82 0.00 0.00 0.00 179.25 179.65 1f6v h ILE 21 N 0.00 1.60 0.00 0.00 5.03 -1.60 0.85 117.51 123.39 1f6v h ILE 21 Ca -0.00 -3.09 -0.29 0.00 -0.12 0.00 0.00 64.86 61.36 1f6v h ILE 21 Cb 1.06 2.68 -0.05 0.00 -3.03 0.00 0.00 36.82 37.48 1f6v h ILE 21 CO 0.04 0.87 -1.84 0.00 -0.68 0.00 0.00 178.15 176.54 1f6v n ALA 22 N -2.35 1.59 0.18 1.87 0.00 -1.18 -4.20 120.51 116.41 1f6v n ALA 22 Ca -0.00 -0.87 0.11 0.00 0.00 0.00 0.00 53.44 52.68 1f6v n ALA 22 Cb 0.86 -0.70 -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 0.54 -4.69 0.00 2.03 -0.44 -4.61 116.55 106.46 1f6v n ASP 23 Ca -0.20 0.11 -0.23 0.00 0.52 0.00 0.00 54.79 54.99 1f6v n ASP 23 Cb 1.04 0.99 0.11 0.00 -0.72 0.00 0.00 41.12 42.54 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 -3.37 3.79 0.00 -1.67 0.00 0.29 -2.35 121.76 118.45 1f6v s ALA 24 Ca -0.02 -1.80 0.00 0.00 0.00 0.00 0.00 51.96 50.14 1f6v s ALA 24 Cb 0.12 -1.95 0.00 0.00 0.00 0.00 0.00 23.12 21.29 1f6v s ALA 24 CO 0.83 -1.45 0.00 0.91 0.00 0.00 0.00 175.76 176.05 1f6v n TRP 25 N -2.81 0.00 -2.64 0.00 8.01 -1.26 -3.79 117.44 114.94 1f6v n TRP 25 Ca 0.16 0.00 -0.43 0.00 -1.31 0.00 0.00 57.50 55.92 1f6v n TRP 25 Cb 0.61 0.07 0.00 0.00 -2.01 0.00 0.00 31.31 29.98 1f6v n TRP 25 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.69 177.62 1f6v n GLN 26 N 1.58 3.74 -0.01 -0.99 -0.06 -1.25 -4.58 117.38 115.81 1f6v n GLN 26 Ca 0.00 -3.84 0.09 0.00 -2.00 0.00 0.00 57.00 51.25 1f6v n GLN 26 Cb 0.00 -2.84 -0.14 0.00 -4.06 0.00 0.00 30.24 23.20 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 3.14 0.00 0.00 1.69 0.00 -1.25 -4.65 119.36 118.30 1f6v n ILE 27 Ca 0.36 -0.36 0.00 0.00 0.00 0.00 0.00 62.75 62.74 1f6v n ILE 27 Cb 0.37 0.25 0.00 0.00 0.00 0.00 0.00 39.64 40.26 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 -2.02 0.00 0.00 9.51 5.15 -1.26 -4.09 115.26 122.55 1f6v n ASN 28 Ca -0.02 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.96 1f6v n ASN 28 Cb 0.45 0.15 0.00 0.00 -0.53 0.00 0.00 39.78 39.85 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 -1.42 2.20 0.08 8.20 0.00 -1.26 -4.78 105.19 108.21 1f6v n GLY 29 Ca 0.00 -0.22 -0.09 0.00 0.00 0.00 0.00 46.02 45.72 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 1.26 -0.01 1.61 2.13 -1.26 -3.85 120.64 120.52 1f6v n GLU 30 Ca 0.00 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.68 1f6v n GLU 30 Cb 0.00 -1.42 -0.14 0.00 0.27 0.00 0.00 31.44 30.15 1f6v n GLU 30 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1f6v n LYS 31 N -2.64 0.68 0.14 5.31 4.01 -1.26 -3.94 118.16 120.46 1f6v n LYS 31 Ca -0.28 0.29 0.02 0.00 -0.51 0.00 0.00 58.31 57.83 1f6v n LYS 31 Cb 1.03 -1.76 0.09 0.00 -0.51 0.00 0.00 35.03 33.88 1f6v n LYS 31 CO 0.00 0.00 0.00 1.05 -1.11 0.00 0.00 177.40 177.34 1f6v h GLU 32 N 0.03 0.00 -0.41 1.97 -0.00 -1.70 -3.13 114.58 111.34 1f6v h GLU 32 Ca -0.34 0.00 -0.07 0.00 -0.00 0.00 0.00 59.36 58.95 1f6v h GLU 32 Cb 2.02 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 30.75 1f6v h GLU 32 CO 0.08 0.53 -0.02 1.37 -0.00 0.00 0.00 179.01 180.98 1f6v h LEU 33 N 0.00 0.64 0.68 3.06 8.10 -1.70 -2.96 115.31 123.13 1f6v h LEU 33 Ca -0.01 -0.15 -0.03 0.00 0.11 0.00 0.00 57.88 57.81 1f6v h LEU 33 Cb 1.30 -0.17 0.01 0.00 -0.44 0.00 0.00 40.66 41.36 1f6v h LEU 33 CO 0.07 0.72 -0.33 -0.08 -4.11 0.00 0.00 178.44 174.72 1f6v h GLU 34 N 0.63 -0.88 -0.37 0.17 4.81 -1.66 0.37 114.58 117.65 1f6v h GLU 34 Ca 0.13 0.06 0.06 0.00 -0.13 0.00 0.00 59.36 59.48 1f6v h GLU 34 Cb 0.42 0.20 -0.09 0.00 0.63 0.00 0.00 28.75 29.92 1f6v h GLU 34 CO 0.02 -0.56 -0.46 1.25 -0.73 0.00 0.00 179.01 178.53 1f6v h LEU 35 N -1.17 -1.51 -1.79 1.64 7.12 -1.58 0.54 115.31 118.55 1f6v h LEU 35 Ca -0.09 0.22 -0.03 0.00 0.13 0.00 0.00 57.88 58.11 1f6v h LEU 35 Cb 0.72 0.64 -0.00 0.00 -0.53 0.00 0.00 40.66 41.49 1f6v h LEU 35 CO 0.15 -0.39 -0.12 0.25 -0.13 0.00 0.00 178.44 178.20 1f6v h LEU 36 N -0.37 0.00 -1.18 2.25 7.12 -1.57 0.18 115.31 121.74 1f6v h LEU 36 Ca 0.12 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.13 1f6v h LEU 36 Cb 0.60 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.73 1f6v h LEU 36 CO -0.56 0.12 0.00 1.67 -0.13 0.00 0.00 178.44 179.55 1f6v n GLN 37 N -3.51 0.12 -0.70 1.25 7.27 0.19 -1.96 117.38 120.03 1f6v n GLN 37 Ca -0.01 0.61 0.00 0.00 0.07 0.00 0.00 57.00 57.67 1f6v n GLN 37 Cb 0.27 -1.88 -0.00 0.00 2.41 0.00 0.00 30.24 31.04 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 -2.13 0.00 0.00 3.69 7.27 -0.43 -4.92 117.38 120.86 1f6v n GLN 38 Ca -0.01 -0.97 0.00 0.00 0.07 0.00 0.00 57.00 56.08 1f6v n GLN 38 Cb 0.03 -0.26 0.00 0.00 2.41 0.00 0.00 30.24 32.42 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 0.09 0.00 1.06 1.69 2.08 0.50 -4.38 119.36 120.41 1f6v n ILE 39 Ca -0.01 0.00 0.12 0.00 0.56 0.00 0.00 62.75 63.42 1f6v n ILE 39 Cb 0.74 -0.44 0.58 0.00 -0.75 0.00 0.00 39.64 39.77 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 -2.29 2.19 0.46 -1.39 0.00 -1.17 -0.99 120.51 117.32 1f6v n ALA 40 Ca 0.00 -0.11 0.09 0.00 0.00 0.00 0.00 53.44 53.42 1f6v n ALA 40 Cb 0.41 -1.39 -0.12 0.00 0.00 0.00 0.00 19.45 18.35 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 -1.34 0.89 -2.08 0.00 6.02 -1.26 -4.45 117.38 115.16 1f6v n GLN 41 Ca 0.10 -0.07 -0.03 0.00 -0.01 0.00 0.00 57.00 56.99 1f6v n GLN 41 Cb 0.21 -1.38 0.05 0.00 1.02 0.00 0.00 30.24 30.15 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 -1.73 1.59 0.00 -1.09 -0.00 -0.93 -4.96 118.16 111.05 1f6v n LYS 42 Ca 0.00 -3.20 0.00 0.00 -0.00 0.00 0.00 58.31 55.11 1f6v n LYS 42 Cb 0.36 -1.30 0.00 0.00 -0.00 0.00 0.00 35.03 34.09 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 -0.38 0.00 -0.95 -1.58 -0.04 -0.16 -0.03 135.00 131.86 1f6v n PRO 43 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1f6v n PRO 43 Cb 0.91 -0.42 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 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 1.80 0.19 0.00 0.55 0.00 -1.26 -0.45 105.19 106.02 1f6v n GLY 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 1.00 0.00 -0.77 4.61 0.00 -1.26 -4.62 120.51 119.47 1f6v n ALA 45 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1f6v n ALA 45 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.73 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 -3.33 117.00 112.41 1f6v n LEU 46 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 56.01 56.62 1f6v n LEU 46 Cb 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 43.42 43.37 1f6v n LEU 46 CO 0.00 -0.11 0.00 -1.14 0.00 0.00 0.00 177.39 176.14 1f6v n ARG 47 N -1.28 0.00 -0.16 1.96 0.63 0.46 0.92 116.66 119.21 1f6v n ARG 47 Ca 0.00 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 56.87 1f6v n ARG 47 Cb 0.00 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 32.86 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 0.00 5.15 5.03 -1.58 0.40 117.51 126.51 1f6v h ILE 48 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.74 1f6v h ILE 48 Cb 0.00 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 33.79 1f6v h ILE 48 CO 0.00 0.00 0.00 -0.07 -0.68 0.00 0.00 178.15 177.40 1f6v h LEU 49 N -0.07 0.00 -1.69 1.44 4.07 0.37 -3.00 115.31 116.43 1f6v h LEU 49 Ca 0.06 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.98 1f6v h LEU 49 Cb 0.23 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.96 1f6v h LEU 49 CO -0.40 0.00 -0.18 -1.13 -1.08 0.00 0.00 178.44 175.65 1f6v h ASN 50 N 0.00 0.00 -1.16 -0.43 -0.00 0.11 0.48 115.58 114.58 1f6v h ASN 50 Ca 0.00 0.00 0.34 0.00 -0.00 0.00 0.00 56.30 56.64 1f6v h ASN 50 Cb 0.68 0.00 -0.05 0.00 -0.00 0.00 0.00 38.32 38.96 1f6v h ASN 50 CO 0.00 0.18 0.95 -0.74 -0.00 0.00 0.00 177.43 177.82 1f6v h HIS 51 N 0.00 0.00 0.00 0.67 2.76 -0.78 0.49 115.15 118.29 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 0.40 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.36 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 -3.88 0.34 0.05 3.26 7.64 -0.66 -4.53 113.62 115.83 1f6v n SER 52 Ca 0.25 -0.74 0.12 0.00 1.01 0.00 0.00 58.87 59.51 1f6v n SER 52 Cb 1.32 0.18 0.29 0.00 -1.01 0.00 0.00 64.21 64.99 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 -0.18 0.60 0.31 -3.43 7.94 0.16 -3.21 117.00 119.19 1f6v n LEU 53 Ca 0.00 0.28 0.18 0.00 -1.11 0.00 0.00 56.01 55.36 1f6v n LEU 53 Cb 0.08 -0.26 0.94 0.00 0.53 0.00 0.00 43.42 44.71 1f6v n LEU 53 CO 0.00 -0.04 1.15 -0.09 -1.11 0.00 0.00 177.39 177.30 1f6v h ARG 54 N 0.00 0.00 -0.85 1.96 2.43 -1.52 0.16 114.38 116.57 1f6v h ARG 54 Ca 0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1f6v h ARG 54 Cb 0.66 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.17 1f6v h ARG 54 CO 0.00 0.00 0.43 1.25 -1.51 0.00 0.00 179.97 180.14 1f6v h LEU 55 N 0.00 1.09 -0.68 3.80 7.12 -1.84 -2.95 115.31 121.86 1f6v h LEU 55 Ca 0.02 -0.12 0.25 0.00 0.13 0.00 0.00 57.88 58.15 1f6v h LEU 55 Cb 0.47 -0.28 -0.08 0.00 -0.53 0.00 0.00 40.66 40.24 1f6v h LEU 55 CO -0.00 0.90 0.42 0.00 -0.13 0.00 0.00 178.44 179.63 1f6v n ALA 56 N -2.41 0.68 -0.09 1.25 0.00 0.56 0.21 120.51 120.71 1f6v n ALA 56 Ca 0.08 0.48 -0.09 0.00 0.00 0.00 0.00 53.44 53.92 1f6v n ALA 56 Cb 0.12 -0.56 -0.13 0.00 0.00 0.00 0.00 19.45 18.88 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 -2.58 1.57 -1.74 0.00 0.00 -1.14 -3.82 120.51 112.81 1f6v n ALA 57 Ca 0.21 -1.10 -0.31 0.00 0.00 0.00 0.00 53.44 52.24 1f6v n ALA 57 Cb 0.79 -0.10 -0.04 0.00 0.00 0.00 0.00 19.45 20.11 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 2.19 -0.04 0.00 0.00 0.56 -4.73 119.30 114.87 1f6v s MET 58 Ca -0.11 0.85 0.18 0.00 0.00 0.00 0.00 55.69 56.61 1f6v s MET 58 Cb 0.05 -4.62 0.60 0.00 0.00 0.00 0.00 34.83 30.86 1f6v s MET 58 CO 0.67 -3.37 1.49 -2.37 0.00 0.00 0.00 175.02 171.44 1f6v n THR 59 N 7.93 1.15 0.10 10.11 5.66 -1.26 -3.89 114.28 134.08 1f6v n THR 59 Ca 0.35 -0.93 0.05 0.00 -3.05 0.00 0.00 64.05 60.47 1f6v n THR 59 Cb 0.51 0.29 0.10 0.00 -1.55 0.00 0.00 70.33 69.68 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 1.22 2.31 -2.33 1.79 0.00 -1.26 -4.85 120.51 117.39 1f6v n ALA 60 Ca 0.22 -0.89 -0.36 0.00 0.00 0.00 0.00 53.44 52.42 1f6v n ALA 60 Cb 0.64 -0.38 -0.03 0.00 0.00 0.00 0.00 19.45 19.68 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 -0.94 2.37 -0.61 0.00 5.04 -1.25 -4.65 115.29 115.25 1f6v s HIS 61 Ca 0.17 -0.58 0.25 0.00 -1.54 0.00 0.00 55.06 53.36 1f6v s HIS 61 Cb 0.10 -4.38 0.48 0.00 0.04 0.00 0.00 32.58 28.81 1f6v s HIS 61 CO 0.14 -1.52 1.49 0.78 -2.34 0.00 0.00 174.74 173.30 1f6v h GLY 62 N 15.13 0.00 2.00 1.59 0.00 -1.95 -3.22 103.07 116.62 1f6v h GLY 62 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 1f6v h GLY 62 CO 1.34 0.00 0.00 1.17 0.00 0.00 0.00 176.54 179.05 1f6v n LYS 63 N -2.35 0.10 -2.90 4.80 4.81 -1.26 -4.35 118.16 117.01 1f6v n LYS 63 Ca 0.04 0.42 0.02 0.00 -0.87 0.00 0.00 58.31 57.92 1f6v n LYS 63 Cb 0.46 -1.73 0.00 0.00 0.02 0.00 0.00 35.03 33.78 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 -3.31 -1.44 -0.14 3.14 0.00 -1.22 -5.04 107.32 99.31 1f6v s GLY 64 Ca 0.03 1.10 -0.30 0.00 0.00 0.00 0.00 44.72 45.55 1f6v s GLY 64 CO 0.27 4.15 0.90 -1.83 0.00 0.00 0.00 173.10 176.58 1f6v s GLU 65 N 2.02 0.73 0.00 2.90 -1.05 -1.23 -4.11 118.70 117.96 1f6v s GLU 65 Ca 0.16 0.23 0.00 0.00 -0.15 0.00 0.00 54.97 55.20 1f6v s GLU 65 Cb 0.01 0.35 0.00 0.00 -0.44 0.00 0.00 34.13 34.05 1f6v s GLU 65 CO -0.14 -0.22 0.00 -2.13 0.95 0.00 0.00 175.26 173.72 1f6v n ARG 66 N 0.92 0.00 0.00 -4.83 3.00 -1.25 -4.93 116.66 109.56 1f6v n ARG 66 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.72 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 1.55 0.00 0.00 0.00 177.63 179.18 1f6v n VAL 67 N 0.00 0.00 -4.17 5.15 3.14 -1.26 -4.71 118.33 116.48 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 -0.20 6.55 5.15 -1.26 -3.11 115.26 122.38 1f6v n ASN 68 Ca 0.00 0.00 0.01 0.00 -0.60 0.00 0.00 54.58 53.99 1f6v n ASN 68 Cb 0.00 0.00 0.11 0.00 -0.53 0.00 0.00 39.78 39.36 1f6v n ASN 68 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 1f6v h GLU 69 N 0.00 0.23 -0.13 1.20 4.81 -1.83 -1.56 114.58 117.30 1f6v h GLU 69 Ca 0.00 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1f6v h GLU 69 Cb 0.00 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 1f6v h GLU 69 CO 0.00 0.15 0.08 -0.44 -0.73 0.00 0.00 179.01 178.07 1f6v h ASP 70 N 0.24 0.16 -0.47 1.04 3.32 -1.88 -2.88 116.42 115.94 1f6v h ASP 70 Ca 0.32 -0.05 0.11 0.00 0.02 0.00 0.00 57.03 57.44 1f6v h ASP 70 Cb 0.49 -0.04 -0.09 0.00 0.22 0.00 0.00 39.33 39.92 1f6v h ASP 70 CO -0.43 0.16 -0.05 0.00 -1.72 0.00 0.00 179.24 177.21 1f6v n TYR 71 N -4.97 0.24 0.22 4.55 9.36 -0.59 0.13 117.16 126.10 1f6v n TYR 71 Ca -0.05 0.57 -0.16 0.00 3.32 0.00 0.00 57.90 61.58 1f6v n TYR 71 Cb 0.05 -0.82 -0.08 0.00 -0.63 0.00 0.00 39.34 37.86 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 -1.14 0.26 2.98 3.38 -1.55 0.65 115.31 119.89 1f6v h LEU 72 Ca 0.26 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.32 1f6v h LEU 72 Cb 0.48 0.39 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 1f6v h LEU 72 CO -0.46 -0.55 -0.15 -0.09 0.09 0.00 0.00 178.44 177.28 1f6v h ARG 73 N -0.80 -0.38 0.00 1.13 2.43 0.88 0.17 114.38 117.82 1f6v h ARG 73 Ca -0.03 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1f6v h ARG 73 Cb 0.73 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.37 1f6v h ARG 73 CO -0.10 -0.25 0.17 0.37 -1.51 0.00 0.00 179.97 178.65 1f6v h GLN 74 N -0.39 0.00 0.00 0.20 5.75 -0.90 1.12 115.11 120.88 1f6v h GLN 74 Ca -0.03 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 1f6v h GLN 74 Cb 0.32 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.87 1f6v h GLN 74 CO 0.03 0.00 -0.14 0.00 -2.65 0.00 0.00 178.83 176.07 1f6v h ALA 75 N 1.62 0.00 -0.87 3.38 0.00 0.30 -2.83 119.26 120.87 1f6v h ALA 75 Ca 0.00 -0.14 -0.44 0.00 0.00 0.00 0.00 54.91 54.33 1f6v h ALA 75 Cb 0.33 0.14 -0.26 0.00 0.00 0.00 0.00 17.79 18.00 1f6v h ALA 75 CO 0.00 0.14 0.55 1.97 0.00 0.00 0.00 179.25 181.91 1f6v n PHE 76 N -4.59 2.69 0.00 0.00 -1.74 0.06 -4.39 117.46 109.49 1f6v n PHE 76 Ca -0.02 -1.64 0.00 0.00 -0.56 0.00 0.00 57.45 55.23 1f6v n PHE 76 Cb 0.07 -0.85 0.00 0.00 1.52 0.00 0.00 39.48 40.22 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 -0.88 0.00 0.15 3.97 1.74 0.38 -4.75 116.66 117.26 1f6v n ARG 77 Ca 0.52 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.69 1f6v n ARG 77 Cb 1.52 -0.17 0.52 0.00 -1.02 0.00 0.00 32.46 33.31 1f6v n ARG 77 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1f6v n GLU 78 N -0.91 0.12 0.00 5.56 -0.00 -1.00 -3.62 120.64 120.80 1f6v n GLU 78 Ca 0.00 0.62 0.00 0.00 -0.00 0.00 0.00 57.16 57.78 1f6v n GLU 78 Cb 0.00 -1.93 0.00 0.00 -0.00 0.00 0.00 31.44 29.51 1f6v n GLU 78 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1f6v n LEU 79 N -2.17 0.00 0.00 -1.84 4.32 -1.26 -5.05 117.00 111.00 1f6v n LEU 79 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.98 1f6v n LEU 79 Cb 0.06 -0.37 0.00 0.00 -1.62 0.00 0.00 43.42 41.48 1f6v n LEU 79 CO 0.08 -0.46 0.00 -0.90 -1.22 0.00 0.00 177.39 174.89 1f6v n ASP 80 N -2.42 0.00 -0.95 -1.43 5.68 -1.24 -4.98 116.55 111.21 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 -1.41 0.00 -2.12 4.77 -1.26 -4.93 117.00 112.04 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 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 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 -0.95 0.00 0.00 -1.43 5.68 -1.26 -4.96 116.55 113.63 1f6v n ASP 82 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1f6v n ASP 82 Cb 0.35 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.33 1f6v n ASP 82 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 1f6v n VAL 83 N -0.72 0.00 -0.02 2.12 0.31 -1.26 -4.79 118.33 113.96 1f6v n VAL 83 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 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 0.54 -0.24 4.52 5.19 -1.94 -1.25 116.42 123.25 1f6v h ASP 84 Ca 0.00 -0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.29 1f6v h ASP 84 Cb 0.00 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.37 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 -4.24 0.31 -0.05 0.35 -0.00 -1.26 -4.77 119.36 109.71 1f6v n ILE 85 Ca 0.01 -0.47 0.00 0.00 -0.00 0.00 0.00 62.75 62.29 1f6v n ILE 85 Cb 0.29 0.55 0.00 0.00 -0.00 0.00 0.00 39.64 40.47 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 0.68 0.00 -1.70 7.28 2.88 -0.47 -4.80 113.62 117.49 1f6v n SER 86 Ca 0.17 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.79 1f6v n SER 86 Cb 0.41 0.00 0.38 0.00 -0.75 0.00 0.00 64.21 64.25 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 2.23 -3.25 2.46 -1.04 -1.26 -4.57 114.28 108.84 1f6v n THR 87 Ca 0.00 -1.30 -0.28 0.00 -2.04 0.00 0.00 64.05 60.42 1f6v n THR 87 Cb 0.00 -0.04 -0.06 0.00 -1.82 0.00 0.00 70.33 68.40 1f6v n THR 87 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1f6v n LEU 88 N 0.89 4.19 0.00 -4.42 4.77 -1.26 -4.92 117.00 116.24 1f6v n LEU 88 Ca 0.27 -5.50 0.00 0.00 -0.03 0.00 0.00 56.01 50.74 1f6v n LEU 88 Cb 1.02 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1f6v n LEU 88 CO 0.27 2.12 0.00 0.00 -1.33 0.00 0.00 177.39 178.46 1f6v n LEU 89 N 0.55 0.00 0.00 2.23 -0.00 -1.26 -4.78 117.00 113.74 1f6v n LEU 89 Ca 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.31 1f6v n LEU 89 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.82 1f6v n LEU 89 CO 0.41 0.00 0.44 -1.14 -0.00 0.00 0.00 177.39 177.10 1f6v n ARG 90 N 0.00 0.00 0.00 1.47 3.00 -1.26 -5.17 116.66 114.70 1f6v n ARG 90 Ca 0.00 0.71 0.00 0.00 -0.00 0.00 0.00 57.85 58.56 1f6v n ARG 90 Cb 0.00 -1.37 0.01 0.00 0.00 0.00 0.00 32.46 31.09 1f6v n ARG 90 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90