#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f6v s SER 2 N 0.00 5.39 -0.72 1.61 0.01 -1.26 -5.01 113.70 113.72 1f6v s SER 2 Ca 0.00 0.15 -0.03 0.00 1.31 0.00 0.00 55.95 57.38 1f6v s SER 2 Cb 0.00 -1.64 0.22 0.00 0.21 0.00 0.00 66.02 64.81 1f6v s SER 2 CO 0.00 0.34 2.33 0.54 0.41 0.00 0.00 173.24 176.86 1f6v n ARG 3 N 2.44 2.85 -3.46 12.44 5.12 -1.26 -4.96 116.66 129.82 1f6v n ARG 3 Ca -0.18 -3.11 -0.38 0.00 -1.93 0.00 0.00 57.85 52.24 1f6v n ARG 3 Cb 0.53 -2.25 -0.06 0.00 -1.16 0.00 0.00 32.46 29.53 1f6v n ARG 3 CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 1f6v s ILE 4 N -3.73 4.98 0.40 0.55 -5.25 -1.26 -5.09 121.20 111.81 1f6v s ILE 4 Ca 0.54 0.90 -0.03 0.00 -0.99 0.00 0.00 60.65 61.07 1f6v s ILE 4 Cb 0.39 -3.74 0.09 0.00 2.95 0.00 0.00 42.46 42.14 1f6v s ILE 4 CO -0.31 0.57 0.55 0.00 -1.79 0.00 0.00 174.94 173.96 1f6v n ALA 5 N 1.78 -0.19 -0.34 2.27 0.00 -1.26 -4.92 120.51 117.85 1f6v n ALA 5 Ca -0.13 -0.93 0.17 0.00 0.00 0.00 0.00 53.44 52.54 1f6v n ALA 5 Cb 0.52 0.09 0.37 0.00 0.00 0.00 0.00 19.45 20.43 1f6v n ALA 5 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1f6v h LYS 6 N 0.00 0.52 0.00 0.00 3.11 -1.98 -3.41 116.57 114.81 1f6v h LYS 6 Ca -0.18 -0.03 -0.36 0.00 -2.81 0.00 0.00 60.65 57.26 1f6v h LYS 6 Cb 0.60 -0.12 -0.00 0.00 -1.00 0.00 0.00 32.23 31.71 1f6v h LYS 6 CO 0.17 0.34 -0.10 -2.13 -2.81 0.00 0.00 179.45 174.92 1f6v n ARG 7 N -4.93 0.80 0.00 1.90 3.00 -1.26 -5.05 116.66 111.12 1f6v n ARG 7 Ca 0.26 -2.27 0.00 0.00 -0.00 0.00 0.00 57.85 55.84 1f6v n ARG 7 Cb 0.73 -0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.19 1f6v n ARG 7 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 1f6v n THR 8 N -1.70 0.00 -0.20 5.15 -1.04 -1.26 -4.98 114.28 110.26 1f6v n THR 8 Ca 0.06 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.97 1f6v n THR 8 Cb 0.43 1.01 0.10 0.00 -1.82 0.00 0.00 70.33 70.04 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 0.00 -1.71 -0.59 2.41 0.00 -1.25 -5.01 120.51 114.36 1f6v n ALA 9 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1f6v n ALA 9 Cb 0.48 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.88 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 -3.86 0.00 -1.44 0.00 5.41 0.64 -4.71 119.36 115.39 1f6v n ILE 10 Ca 0.05 0.21 0.02 0.00 1.00 0.00 0.00 62.75 64.02 1f6v n ILE 10 Cb 0.21 -1.13 -0.00 0.00 -0.71 0.00 0.00 39.64 38.00 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 -1.82 -0.91 -0.06 4.38 5.15 0.92 -3.51 115.26 119.42 1f6v n ASN 11 Ca 0.00 0.12 0.25 0.00 -0.60 0.00 0.00 54.58 54.35 1f6v n ASN 11 Cb 0.00 -0.35 0.66 0.00 -0.53 0.00 0.00 39.78 39.56 1f6v n ASN 11 CO 0.00 0.00 0.00 0.07 1.40 0.00 0.00 177.26 178.73 1f6v h LYS 12 N 0.00 0.00 0.00 1.20 -0.00 -1.90 -3.46 116.57 112.41 1f6v h LYS 12 Ca 0.00 0.00 0.17 0.00 -0.00 0.00 0.00 60.65 60.83 1f6v h LYS 12 Cb 0.10 0.00 -0.04 0.00 -0.00 0.00 0.00 32.23 32.29 1f6v h LYS 12 CO 0.00 0.00 -0.23 2.41 -0.00 0.00 0.00 179.45 181.63 1f6v n THR 13 N -3.62 0.00 -0.01 0.07 -1.04 -1.23 -2.29 114.28 106.16 1f6v n THR 13 Ca 0.15 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 62.00 1f6v n THR 13 Cb 0.99 -0.22 -0.12 0.00 -1.82 0.00 0.00 70.33 69.16 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 0.00 0.22 0.36 -2.82 1.63 -1.91 -1.37 116.57 112.68 1f6v h LYS 14 Ca 0.01 -0.27 -0.00 0.00 -0.85 0.00 0.00 60.65 59.55 1f6v h LYS 14 Cb 0.59 0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 32.27 1f6v h LYS 14 CO 0.00 1.02 -0.41 -0.22 -3.45 0.00 0.00 179.45 176.39 1f6v h LYS 15 N -0.47 -0.77 -1.07 1.90 3.11 -1.98 -1.15 116.57 116.14 1f6v h LYS 15 Ca -0.05 0.05 -0.31 0.00 -2.81 0.00 0.00 60.65 57.53 1f6v h LYS 15 Cb 1.17 0.18 -0.18 0.00 -1.00 0.00 0.00 32.23 32.40 1f6v h LYS 15 CO 0.07 -0.52 0.40 0.00 -2.81 0.00 0.00 179.45 176.59 1f6v n ALA 16 N -2.73 4.45 0.12 5.00 0.00 -0.97 -4.24 120.51 122.14 1f6v n ALA 16 Ca -0.10 -1.71 -0.02 0.00 0.00 0.00 0.00 53.44 51.61 1f6v n ALA 16 Cb 0.40 -1.29 0.12 0.00 0.00 0.00 0.00 19.45 18.68 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 0.73 0.00 0.00 0.00 1.82 -0.01 -2.29 116.42 116.67 1f6v h ASP 17 Ca 0.36 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.00 1f6v h ASP 17 Cb 1.88 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.89 1f6v h ASP 17 CO 0.68 0.68 -1.48 0.52 -1.61 0.00 0.00 179.24 178.03 1f6v n VAL 18 N -3.71 0.00 0.14 2.25 0.31 -1.26 -3.91 118.33 112.14 1f6v n VAL 18 Ca -0.01 -0.31 -0.23 0.00 -0.01 0.00 0.00 64.34 63.79 1f6v n VAL 18 Cb 0.67 0.34 -0.16 0.00 -0.91 0.00 0.00 33.84 33.78 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 0.48 0.00 5.55 5.09 -1.79 -3.08 116.57 122.82 1f6v h LYS 19 Ca 0.00 -0.83 0.00 0.00 0.09 0.00 0.00 60.65 59.91 1f6v h LYS 19 Cb 0.62 0.31 0.00 0.00 0.10 0.00 0.00 32.23 33.26 1f6v h LYS 19 CO 0.00 1.39 0.00 0.00 -2.09 0.00 0.00 179.45 178.75 1f6v n ALA 20 N -2.69 2.23 0.09 0.07 0.00 -0.86 -2.10 120.51 117.25 1f6v n ALA 20 Ca -0.16 -0.01 -0.02 0.00 0.00 0.00 0.00 53.44 53.25 1f6v n ALA 20 Cb 1.09 -1.46 -0.05 0.00 0.00 0.00 0.00 19.45 19.03 1f6v n ALA 20 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1f6v h ILE 21 N 0.00 1.16 0.01 0.00 5.03 -1.67 0.12 117.51 122.16 1f6v h ILE 21 Ca 0.00 -2.68 -0.31 0.00 -0.12 0.00 0.00 64.86 61.75 1f6v h ILE 21 Cb 0.71 2.56 -0.05 0.00 -3.03 0.00 0.00 36.82 37.01 1f6v h ILE 21 CO 0.00 0.66 -1.81 0.00 -0.68 0.00 0.00 178.15 176.32 1f6v n ALA 22 N -2.30 1.44 0.26 1.87 0.00 -1.17 -4.18 120.51 116.43 1f6v n ALA 22 Ca -0.00 -0.81 0.11 0.00 0.00 0.00 0.00 53.44 52.74 1f6v n ALA 22 Cb 0.84 -0.76 -0.03 0.00 0.00 0.00 0.00 19.45 19.50 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 -3.06 0.57 -4.69 0.00 2.03 -0.89 -4.62 116.55 105.88 1f6v n ASP 23 Ca -0.20 0.05 -0.23 0.00 0.52 0.00 0.00 54.79 54.93 1f6v n ASP 23 Cb 1.06 0.92 0.11 0.00 -0.72 0.00 0.00 41.12 42.49 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 -3.34 3.83 0.00 -1.67 0.00 0.41 -2.34 121.76 118.66 1f6v s ALA 24 Ca -0.01 -1.84 0.00 0.00 0.00 0.00 0.00 51.96 50.11 1f6v s ALA 24 Cb 0.12 -1.91 0.00 0.00 0.00 0.00 0.00 23.12 21.33 1f6v s ALA 24 CO 0.82 -1.45 0.00 0.91 0.00 0.00 0.00 175.76 176.04 1f6v n TRP 25 N -2.80 0.00 -2.84 0.00 8.01 -1.26 -3.82 117.44 114.73 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 0.05 0.01 0.00 -2.01 0.00 0.00 31.31 29.96 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 5.00 4.05 -0.01 -0.99 -0.06 -1.24 -4.60 117.38 119.52 1f6v n GLN 26 Ca 0.00 -4.19 0.09 0.00 -2.00 0.00 0.00 57.00 50.90 1f6v n GLN 26 Cb 0.00 -2.68 -0.13 0.00 -4.06 0.00 0.00 30.24 23.38 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 2.30 0.00 0.00 1.69 0.00 -1.25 -4.77 119.36 117.32 1f6v n ILE 27 Ca 0.31 -0.32 0.00 0.00 0.00 0.00 0.00 62.75 62.74 1f6v n ILE 27 Cb 0.35 0.34 0.00 0.00 0.00 0.00 0.00 39.64 40.33 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 -4.43 115.26 122.31 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 0.40 0.08 0.00 0.00 -0.53 0.00 0.00 39.78 39.73 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 -1.47 2.92 0.03 8.20 0.00 -1.26 -4.79 105.19 108.82 1f6v n GLY 29 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.99 2.72 0.02 1.61 4.07 -1.26 -4.27 120.64 122.54 1f6v n GLU 30 Ca 0.00 0.00 -0.01 0.00 -0.06 0.00 0.00 57.16 57.09 1f6v n GLU 30 Cb 0.00 -1.13 -0.09 0.00 -0.06 0.00 0.00 31.44 30.16 1f6v n GLU 30 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1f6v n LYS 31 N -2.26 0.62 0.09 5.31 4.01 -1.26 -3.78 118.16 120.89 1f6v n LYS 31 Ca -0.09 0.23 -0.13 0.00 -0.51 0.00 0.00 58.31 57.81 1f6v n LYS 31 Cb 0.66 -1.81 -0.13 0.00 -0.51 0.00 0.00 35.03 33.24 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 0.00 0.20 0.00 1.97 -0.00 -1.73 -3.01 114.58 112.01 1f6v h GLU 32 Ca -0.18 -0.34 -0.02 0.00 -0.00 0.00 0.00 59.36 58.82 1f6v h GLU 32 Cb 1.65 0.13 -0.00 0.00 -0.00 0.00 0.00 28.75 30.53 1f6v h GLU 32 CO 0.05 1.16 -0.08 1.37 -0.00 0.00 0.00 179.01 181.51 1f6v h LEU 33 N 0.06 0.00 0.50 3.06 8.10 -1.74 -2.79 115.31 122.50 1f6v h LEU 33 Ca -0.10 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.87 1f6v h LEU 33 Cb 1.90 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 42.13 1f6v h LEU 33 CO 0.18 0.08 -0.24 -0.08 -4.11 0.00 0.00 178.44 174.27 1f6v h GLU 34 N 0.00 -0.65 -0.46 0.17 4.81 -1.62 0.12 114.58 116.94 1f6v h GLU 34 Ca -0.00 0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.33 1f6v h GLU 34 Cb 0.20 0.15 -0.08 0.00 0.63 0.00 0.00 28.75 29.64 1f6v h GLU 34 CO 0.01 -0.35 -0.55 1.25 -0.73 0.00 0.00 179.01 178.64 1f6v h LEU 35 N -0.99 -1.86 -2.07 1.64 7.12 -1.51 0.77 115.31 118.40 1f6v h LEU 35 Ca -0.07 0.25 -0.01 0.00 0.13 0.00 0.00 57.88 58.18 1f6v h LEU 35 Cb 0.61 0.77 -0.00 0.00 -0.53 0.00 0.00 40.66 41.51 1f6v h LEU 35 CO 0.11 -0.38 -0.05 0.25 -0.13 0.00 0.00 178.44 178.25 1f6v h LEU 36 N -0.35 0.00 -1.34 2.25 7.12 -1.59 0.20 115.31 121.60 1f6v h LEU 36 Ca 0.08 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.09 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 -0.62 0.05 0.46 -0.61 -0.13 0.00 0.00 178.44 177.59 1f6v h GLN 37 N 0.00 0.00 0.00 1.25 4.15 0.33 -1.27 115.11 119.57 1f6v h GLN 37 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1f6v h GLN 37 Cb 0.10 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.79 1f6v h GLN 37 CO 0.01 0.00 -0.15 0.94 -1.93 0.00 0.00 178.83 177.70 1f6v n GLN 38 N -2.60 0.00 -0.00 1.69 7.27 -0.31 -4.90 117.38 118.53 1f6v n GLN 38 Ca -0.01 -0.58 0.01 0.00 0.07 0.00 0.00 57.00 56.49 1f6v n GLN 38 Cb 0.49 -0.43 -0.02 0.00 2.41 0.00 0.00 30.24 32.69 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 0.00 0.04 1.12 1.69 -0.00 -0.10 -4.25 119.36 117.87 1f6v n ILE 39 Ca 0.00 -0.07 0.14 0.00 -0.00 0.00 0.00 62.75 62.82 1f6v n ILE 39 Cb 0.56 0.16 0.64 0.00 -0.00 0.00 0.00 39.64 40.99 1f6v n ILE 39 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1f6v n ALA 40 N -1.70 2.44 0.38 -1.39 0.00 -1.15 -1.19 120.51 117.90 1f6v n ALA 40 Ca -0.01 -0.13 0.08 0.00 0.00 0.00 0.00 53.44 53.38 1f6v n ALA 40 Cb 0.18 -1.45 -0.12 0.00 0.00 0.00 0.00 19.45 18.05 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 0.92 -2.30 0.00 6.02 -1.26 -4.48 117.38 114.85 1f6v n GLN 41 Ca 0.09 -0.08 -0.02 0.00 -0.01 0.00 0.00 57.00 56.97 1f6v n GLN 41 Cb 0.31 -1.37 0.05 0.00 1.02 0.00 0.00 30.24 30.25 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 -1.78 1.60 0.00 -1.09 -0.00 -1.15 -4.99 118.16 110.76 1f6v n LYS 42 Ca -0.00 -3.26 0.00 0.00 -0.00 0.00 0.00 58.31 55.05 1f6v n LYS 42 Cb 0.37 -1.35 0.00 0.00 -0.00 0.00 0.00 35.03 34.05 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 -0.40 0.00 -0.89 -1.58 -0.04 -0.33 -0.06 135.00 131.70 1f6v n PRO 43 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1f6v n PRO 43 Cb 0.90 -0.17 0.00 0.00 -0.04 0.00 0.00 33.50 34.18 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 1.87 0.70 0.00 0.55 0.00 -1.26 -1.77 105.19 105.28 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 0.10 -0.36 4.61 0.00 -1.26 -4.47 120.51 120.12 1f6v n ALA 45 Ca 0.00 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.71 1f6v n ALA 45 Cb 0.02 0.00 0.53 0.00 0.00 0.00 0.00 19.45 19.99 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 0.43 -0.37 0.00 7.12 -1.89 0.40 115.31 121.00 1f6v h LEU 46 Ca 0.00 0.14 0.07 0.00 0.13 0.00 0.00 57.88 58.22 1f6v h LEU 46 Cb 0.00 0.09 -0.06 0.00 -0.53 0.00 0.00 40.66 40.16 1f6v h LEU 46 CO 0.00 -0.07 -0.00 0.03 -0.13 0.00 0.00 178.44 178.27 1f6v h ARG 47 N 0.30 0.09 0.50 1.25 3.08 -1.83 2.52 114.38 120.29 1f6v h ARG 47 Ca 0.71 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.74 1f6v h ARG 47 Cb 1.84 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.85 1f6v h ARG 47 CO -0.45 0.06 -0.47 0.82 -1.07 0.00 0.00 179.97 178.86 1f6v h ILE 48 N 0.09 0.07 0.00 2.04 5.03 -0.18 0.83 117.51 125.39 1f6v h ILE 48 Ca 0.18 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.92 1f6v h ILE 48 Cb 0.25 0.07 0.00 0.00 -3.03 0.00 0.00 36.82 34.11 1f6v h ILE 48 CO -0.30 0.00 0.00 0.18 -0.68 0.00 0.00 178.15 177.35 1f6v n LEU 49 N -5.55 0.00 0.06 1.44 7.99 -1.03 -3.02 117.00 116.89 1f6v n LEU 49 Ca -0.12 0.07 -0.03 0.00 -0.01 0.00 0.00 56.01 55.92 1f6v n LEU 49 Cb 0.45 -0.07 0.21 0.00 -0.11 0.00 0.00 43.42 43.89 1f6v n LEU 49 CO 0.28 -0.01 0.67 -1.13 -1.51 0.00 0.00 177.39 175.68 1f6v h ASN 50 N 0.00 0.36 -1.43 -1.43 -0.00 0.69 0.73 115.58 114.50 1f6v h ASN 50 Ca 0.00 -0.14 0.41 0.00 -0.00 0.00 0.00 56.30 56.57 1f6v h ASN 50 Cb 0.06 -0.10 -0.06 0.00 -0.00 0.00 0.00 38.32 38.22 1f6v h ASN 50 CO 0.00 0.70 1.19 -0.74 -0.00 0.00 0.00 177.43 178.57 1f6v h HIS 51 N 0.29 0.00 0.00 0.67 2.76 -1.44 0.14 115.15 117.58 1f6v h HIS 51 Ca 0.03 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1f6v h HIS 51 Cb 0.78 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.74 1f6v h HIS 51 CO 0.02 0.00 0.00 0.43 -1.30 0.00 0.00 177.93 177.08 1f6v n SER 52 N -3.75 0.29 0.12 3.26 7.64 -0.89 -4.62 113.62 115.66 1f6v n SER 52 Ca 0.32 -0.70 0.12 0.00 1.01 0.00 0.00 58.87 59.62 1f6v n SER 52 Cb 1.63 0.19 0.11 0.00 -1.01 0.00 0.00 64.21 65.12 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 -1.87 -3.43 4.07 0.32 -3.18 115.31 111.23 1f6v h LEU 53 Ca 0.00 -0.06 0.05 0.00 0.08 0.00 0.00 57.88 57.95 1f6v h LEU 53 Cb 0.16 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.89 1f6v h LEU 53 CO 0.00 0.03 0.43 -0.09 -1.08 0.00 0.00 178.44 177.73 1f6v h ARG 54 N 0.00 0.00 -0.75 1.13 9.65 -1.54 0.34 114.38 123.22 1f6v h ARG 54 Ca 0.00 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.84 1f6v h ARG 54 Cb 0.92 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.46 1f6v h ARG 54 CO 0.00 0.00 0.30 -0.07 2.80 0.00 0.00 179.97 183.00 1f6v h LEU 55 N 0.00 1.03 -0.31 3.80 -0.00 -1.83 -2.87 115.31 115.13 1f6v h LEU 55 Ca 0.08 -0.17 0.11 0.00 -0.00 0.00 0.00 57.88 57.90 1f6v h LEU 55 Cb 0.94 -0.27 -0.06 0.00 -0.00 0.00 0.00 40.66 41.28 1f6v h LEU 55 CO -0.00 0.93 0.09 0.00 -0.00 0.00 0.00 178.44 179.46 1f6v n ALA 56 N -2.42 0.25 -0.10 1.53 0.00 0.12 0.27 120.51 120.16 1f6v n ALA 56 Ca 0.06 0.32 -0.10 0.00 0.00 0.00 0.00 53.44 53.72 1f6v n ALA 56 Cb 0.18 -0.28 -0.14 0.00 0.00 0.00 0.00 19.45 19.21 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 -3.11 1.54 -1.56 0.00 0.00 -1.19 -3.70 120.51 112.49 1f6v n ALA 57 Ca 0.10 -1.17 -0.16 0.00 0.00 0.00 0.00 53.44 52.21 1f6v n ALA 57 Cb 0.33 -0.12 -0.07 0.00 0.00 0.00 0.00 19.45 19.59 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 -2.78 0.59 -0.69 0.00 0.00 0.77 -4.68 117.12 110.32 1f6v n MET 58 Ca -0.32 -0.72 0.08 0.00 0.00 0.00 0.00 57.70 56.74 1f6v n MET 58 Cb 1.06 -3.55 0.36 0.00 0.00 0.00 0.00 33.22 31.09 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 8.57 2.08 0.11 1.12 5.66 -1.26 -3.98 114.28 126.58 1f6v n THR 59 Ca 0.47 -1.18 0.02 0.00 -3.05 0.00 0.00 64.05 60.30 1f6v n THR 59 Cb 0.43 -0.08 0.03 0.00 -1.55 0.00 0.00 70.33 69.16 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 0.85 2.38 -1.54 1.79 0.00 -1.26 -4.94 120.51 117.80 1f6v n ALA 60 Ca 0.25 -0.67 -0.14 0.00 0.00 0.00 0.00 53.44 52.88 1f6v n ALA 60 Cb 0.97 -0.14 -0.10 0.00 0.00 0.00 0.00 19.45 20.18 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 0.14 0.94 -2.35 0.00 -0.00 -1.26 -4.80 115.22 107.90 1f6v n HIS 61 Ca 0.03 -0.04 -0.38 0.00 -0.00 0.00 0.00 57.72 57.33 1f6v n HIS 61 Cb 0.16 -2.30 -0.02 0.00 -0.00 0.00 0.00 29.99 27.83 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 6.47 2.13 0.00 1.57 0.00 -1.26 -3.34 105.19 110.76 1f6v n GLY 62 Ca 0.47 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 8.25 0.00 -3.34 1.61 4.81 -1.26 -5.07 118.16 123.15 1f6v n LYS 63 Ca 0.48 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.77 1f6v n LYS 63 Cb 0.46 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.44 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 -0.20 -0.30 3.14 0.00 -1.21 -5.07 107.32 103.68 1f6v s GLY 64 Ca 0.00 -0.74 -0.12 0.00 0.00 0.00 0.00 44.72 43.86 1f6v s GLY 64 CO 0.00 2.85 0.96 -1.83 0.00 0.00 0.00 173.10 175.08 1f6v s GLU 65 N 1.59 0.29 0.00 2.90 4.04 -1.25 -3.91 118.70 122.36 1f6v s GLU 65 Ca 0.16 0.62 0.00 0.00 0.04 0.00 0.00 54.97 55.79 1f6v s GLU 65 Cb -0.14 0.36 0.00 0.00 0.02 0.00 0.00 34.13 34.37 1f6v s GLU 65 CO -0.07 -0.22 0.00 0.54 -1.84 0.00 0.00 175.26 173.68 1f6v n ARG 66 N 5.24 0.00 0.00 -4.83 5.12 -1.26 -5.01 116.66 115.92 1f6v n ARG 66 Ca -0.07 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.85 1f6v n ARG 66 Cb 0.53 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.83 1f6v n ARG 66 CO 0.00 0.00 0.00 1.55 -1.93 0.00 0.00 177.63 177.25 1f6v n VAL 67 N 0.00 0.00 -3.79 1.55 3.14 -1.26 -4.89 118.33 113.08 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 -0.38 -0.51 6.55 2.85 -1.26 -4.88 115.26 117.63 1f6v n ASN 68 Ca 0.00 -1.12 0.43 0.00 -0.11 0.00 0.00 54.58 53.77 1f6v n ASN 68 Cb 0.00 0.60 0.75 0.00 1.24 0.00 0.00 39.78 42.37 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 0.04 -0.02 1.20 4.11 -1.85 1.06 114.58 119.12 1f6v h GLU 69 Ca -0.06 -0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.36 1f6v h GLU 69 Cb 0.33 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 1f6v h GLU 69 CO 0.09 0.02 -0.02 -0.44 0.07 0.00 0.00 179.01 178.74 1f6v h ASP 70 N 0.04 0.05 -0.28 3.06 3.32 -1.93 -3.19 116.42 117.50 1f6v h ASP 70 Ca 0.78 -0.47 0.07 0.00 0.02 0.00 0.00 57.03 57.43 1f6v h ASP 70 Cb 2.93 -0.01 -0.05 0.00 0.22 0.00 0.00 39.33 42.41 1f6v h ASP 70 CO -0.10 0.51 -0.02 0.00 -1.72 0.00 0.00 179.24 177.90 1f6v n TYR 71 N -4.82 0.15 0.33 4.55 9.36 0.37 0.14 117.16 127.22 1f6v n TYR 71 Ca -0.08 0.34 -0.18 0.00 3.32 0.00 0.00 57.90 61.30 1f6v n TYR 71 Cb 0.25 -0.69 -0.10 0.00 -0.63 0.00 0.00 39.34 38.18 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 -1.34 0.28 2.98 3.38 -1.59 0.97 115.31 119.98 1f6v h LEU 72 Ca 0.16 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 1f6v h LEU 72 Cb 0.29 0.43 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1f6v h LEU 72 CO -0.27 -0.68 -0.13 0.03 0.09 0.00 0.00 178.44 177.47 1f6v h ARG 73 N -1.05 -0.36 0.00 1.13 3.08 0.99 0.17 114.38 118.35 1f6v h ARG 73 Ca -0.07 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1f6v h ARG 73 Cb 0.89 0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.02 1f6v h ARG 73 CO -0.02 -0.22 0.38 0.37 -1.07 0.00 0.00 179.97 179.41 1f6v h GLN 74 N -0.41 0.00 0.00 0.04 5.75 -0.90 1.82 115.11 121.42 1f6v h GLN 74 Ca -0.04 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 1f6v h GLN 74 Cb 0.31 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.86 1f6v h GLN 74 CO 0.06 0.00 -0.17 0.00 -2.65 0.00 0.00 178.83 176.08 1f6v h ALA 75 N 1.21 0.00 -0.87 3.38 0.00 0.37 -3.11 119.26 120.24 1f6v h ALA 75 Ca 0.00 -0.18 -0.41 0.00 0.00 0.00 0.00 54.91 54.32 1f6v h ALA 75 Cb 0.75 0.17 -0.24 0.00 0.00 0.00 0.00 17.79 18.46 1f6v h ALA 75 CO 0.00 0.17 0.52 1.97 0.00 0.00 0.00 179.25 181.90 1f6v n PHE 76 N -4.23 2.71 0.00 0.00 -1.74 0.10 -4.41 117.46 109.89 1f6v n PHE 76 Ca -0.02 -1.59 0.00 0.00 -0.56 0.00 0.00 57.45 55.28 1f6v n PHE 76 Cb 0.09 -0.84 0.00 0.00 1.52 0.00 0.00 39.48 40.25 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 -0.79 0.00 0.26 3.97 5.12 0.61 -4.74 116.66 121.10 1f6v n ARG 77 Ca 0.51 0.00 0.14 0.00 -1.93 0.00 0.00 57.85 56.57 1f6v n ARG 77 Cb 1.52 -0.26 0.73 0.00 -1.16 0.00 0.00 32.46 33.30 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 -3.26 114.58 115.53 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 -2.60 0.00 0.00 3.06 4.32 -1.26 -5.07 117.00 115.46 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 -0.24 0.00 0.00 -1.62 0.00 0.00 43.42 41.81 1f6v n LEU 79 CO 0.12 -0.25 0.00 -0.90 -1.22 0.00 0.00 177.39 175.13 1f6v n ASP 80 N -1.99 0.00 -1.13 -1.43 5.68 -1.23 -4.96 116.55 111.48 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 -1.72 0.00 -2.12 4.77 -1.26 -4.95 117.00 111.72 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 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 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 -1.13 0.00 0.00 -1.43 5.75 -1.26 -5.00 116.55 113.48 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 0.43 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.52 1f6v n ASP 82 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 1f6v n VAL 83 N -0.69 0.00 -0.04 2.12 0.24 -1.26 -4.79 118.33 113.91 1f6v n VAL 83 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.28 1f6v n VAL 83 Cb 0.00 0.00 0.25 0.00 -1.47 0.00 0.00 33.84 32.62 1f6v n VAL 83 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1f6v h ASP 84 N 0.00 0.58 0.01 -1.34 5.19 -1.93 -1.71 116.42 117.22 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 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.36 1f6v h ASP 84 CO 0.00 0.66 -0.02 2.30 -3.12 0.00 0.00 179.24 179.05 1f6v n ILE 85 N -4.25 0.00 0.00 0.35 -0.00 -1.26 -4.84 119.36 109.36 1f6v n ILE 85 Ca 0.02 -0.25 0.00 0.00 -0.00 0.00 0.00 62.75 62.52 1f6v n ILE 85 Cb 0.27 0.53 0.00 0.00 -0.00 0.00 0.00 39.64 40.43 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 0.14 0.00 -0.08 7.28 2.88 -0.64 -4.86 113.62 118.34 1f6v n SER 86 Ca 0.18 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.67 1f6v n SER 86 Cb 0.36 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.66 1f6v n SER 86 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1f6v n THR 87 N 0.00 1.07 -1.83 2.46 -2.24 -1.26 -4.84 114.28 107.64 1f6v n THR 87 Ca 0.00 -0.77 -0.39 0.00 -2.27 0.00 0.00 64.05 60.63 1f6v n THR 87 Cb 0.00 -0.37 -0.03 0.00 -2.10 0.00 0.00 70.33 67.83 1f6v n THR 87 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1f6v s LEU 88 N -5.25 3.38 0.00 3.22 1.02 -1.26 -4.88 118.68 114.90 1f6v s LEU 88 Ca -0.09 0.88 0.00 0.00 0.02 0.00 0.00 54.13 54.93 1f6v s LEU 88 Cb 0.08 -2.76 0.00 0.00 0.02 0.00 0.00 46.19 43.52 1f6v s LEU 88 CO 0.83 -2.41 0.00 0.00 0.02 0.00 0.00 176.35 174.79 1f6v n LEU 89 N 13.35 0.00 0.00 1.79 -0.00 -1.26 -4.61 117.00 126.27 1f6v n LEU 89 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.28 1f6v n LEU 89 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.94 1f6v n LEU 89 CO 0.70 0.00 0.00 -1.14 -0.00 0.00 0.00 177.39 176.95 1f6v n ARG 90 N 0.00 0.00 0.00 1.47 3.00 -1.26 -5.22 116.66 114.65 1f6v n ARG 90 Ca 0.00 0.00 0.16 0.00 -0.00 0.00 0.00 57.85 58.01 1f6v n ARG 90 Cb 0.00 0.00 0.92 0.00 0.00 0.00 0.00 32.46 33.38 1f6v n ARG 90 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90