#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 6.28 -0.85 1.61 0.15 -1.26 -4.91 113.70 114.72 1f6v s SER 2 Ca 0.00 -1.64 -0.02 0.00 0.70 0.00 0.00 55.95 54.99 1f6v s SER 2 Cb 0.00 -2.30 0.35 0.00 -1.71 0.00 0.00 66.02 62.36 1f6v s SER 2 CO 0.00 -1.04 1.97 0.54 1.20 0.00 0.00 173.24 175.91 1f6v n ARG 3 N 6.04 3.08 -4.28 5.44 5.12 -1.26 -4.97 116.66 125.84 1f6v n ARG 3 Ca -0.04 -3.69 -0.30 0.00 -1.93 0.00 0.00 57.85 51.88 1f6v n ARG 3 Cb 0.43 -2.29 -0.03 0.00 -1.16 0.00 0.00 32.46 29.41 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 -5.01 1.31 -0.47 0.55 -4.36 -1.26 -5.08 121.20 106.88 1f6v s ILE 4 Ca 0.50 -1.71 -0.21 0.00 -0.26 0.00 0.00 60.65 58.97 1f6v s ILE 4 Cb 0.41 -2.02 0.03 0.00 1.25 0.00 0.00 42.46 42.13 1f6v s ILE 4 CO -0.38 0.00 0.70 0.00 0.24 0.00 0.00 174.94 175.50 1f6v s ALA 5 N -2.85 3.32 -0.23 2.27 0.00 -1.26 -5.00 121.76 118.01 1f6v s ALA 5 Ca 0.19 -1.31 -0.29 0.00 0.00 0.00 0.00 51.96 50.55 1f6v s ALA 5 Cb -0.01 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 1f6v s ALA 5 CO 0.12 -1.94 1.75 0.21 0.00 0.00 0.00 175.76 175.90 1f6v s LYS 6 N 2.98 3.63 0.00 0.00 2.20 -1.26 -4.98 119.74 122.31 1f6v s LYS 6 Ca 0.23 1.70 0.00 0.00 -0.36 0.00 0.00 55.97 57.54 1f6v s LYS 6 Cb -0.15 -4.12 0.00 0.00 -1.51 0.00 0.00 37.83 32.05 1f6v s LYS 6 CO 0.18 -1.50 0.00 2.89 -0.36 0.00 0.00 175.35 176.56 1f6v n ARG 7 N 7.97 0.17 0.07 4.03 1.85 -1.26 -5.05 116.66 124.43 1f6v n ARG 7 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.06 1f6v n ARG 7 Cb 0.45 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.86 1f6v n ARG 7 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 1f6v n THR 8 N -1.33 0.30 -1.03 8.89 -1.04 -1.22 -5.09 114.28 113.76 1f6v n THR 8 Ca 0.00 0.10 -0.01 0.00 -2.04 0.00 0.00 64.05 62.10 1f6v n THR 8 Cb 0.00 -0.72 0.01 0.00 -1.82 0.00 0.00 70.33 67.80 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 -3.12 -0.05 -0.03 2.41 0.00 -1.24 -5.03 120.51 113.45 1f6v n ALA 9 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 53.44 53.38 1f6v n ALA 9 Cb 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.44 1f6v n ALA 9 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1f6v h ILE 10 N -1.02 0.00 -2.97 0.00 1.08 -1.08 -3.45 117.51 110.07 1f6v h ILE 10 Ca -0.01 -0.48 0.34 0.00 -0.39 0.00 0.00 64.86 64.32 1f6v h ILE 10 Cb 0.03 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 33.67 1f6v h ILE 10 CO 0.01 0.00 -0.67 -3.20 -0.69 0.00 0.00 178.15 173.60 1f6v n ASN 11 N -3.37 -7.76 -4.54 1.72 4.05 0.37 -4.05 115.26 101.68 1f6v n ASN 11 Ca -0.02 0.75 -0.16 0.00 0.45 0.00 0.00 54.58 55.60 1f6v n ASN 11 Cb 0.08 -4.08 -0.12 0.00 1.23 0.00 0.00 39.78 36.89 1f6v n ASN 11 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 177.26 176.50 1f6v n LYS 12 N -4.04 0.37 -1.02 1.20 2.85 -1.26 -4.84 118.16 111.42 1f6v n LYS 12 Ca -0.02 -0.60 -0.35 0.00 -1.05 0.00 0.00 58.31 56.29 1f6v n LYS 12 Cb 0.60 -2.84 0.07 0.00 -0.65 0.00 0.00 35.03 32.20 1f6v n LYS 12 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1f6v n THR 13 N 7.75 0.35 -0.31 0.58 -2.24 -1.26 -4.10 114.28 115.04 1f6v n THR 13 Ca 0.53 -0.39 0.14 0.00 -2.27 0.00 0.00 64.05 62.06 1f6v n THR 13 Cb 0.34 -0.33 0.32 0.00 -2.10 0.00 0.00 70.33 68.56 1f6v n THR 13 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1f6v h LYS 14 N -0.94 0.44 -0.49 -0.78 1.79 -1.91 0.76 116.57 115.45 1f6v h LYS 14 Ca -0.44 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 57.98 1f6v h LYS 14 Cb 1.32 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 31.85 1f6v h LYS 14 CO 0.32 0.29 0.21 1.57 -1.08 0.00 0.00 179.45 180.77 1f6v h LYS 15 N 0.46 0.71 -0.91 3.15 2.10 -1.99 -1.09 116.57 119.00 1f6v h LYS 15 Ca 0.58 -0.12 -0.20 0.00 -2.00 0.00 0.00 60.65 58.91 1f6v h LYS 15 Cb 1.08 -0.12 -0.12 0.00 -0.90 0.00 0.00 32.23 32.17 1f6v h LYS 15 CO -0.51 0.62 0.25 0.00 -2.00 0.00 0.00 179.45 177.82 1f6v n ALA 16 N -2.32 3.99 0.06 0.07 0.00 0.15 -4.19 120.51 118.26 1f6v n ALA 16 Ca 0.02 -1.52 -0.11 0.00 0.00 0.00 0.00 53.44 51.83 1f6v n ALA 16 Cb 0.14 -1.20 -0.00 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 1.24 0.48 0.02 0.00 3.58 0.16 -1.16 116.42 120.74 1f6v h ASP 17 Ca 0.24 -0.34 0.00 0.00 0.42 0.00 0.00 57.03 57.35 1f6v h ASP 17 Cb 1.86 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.76 1f6v h ASP 17 CO 0.53 1.11 -1.05 0.52 -2.88 0.00 0.00 179.24 177.47 1f6v n VAL 18 N -3.79 0.00 -0.02 2.25 0.31 -1.26 -3.70 118.33 112.12 1f6v n VAL 18 Ca -0.05 -0.03 -0.13 0.00 -0.01 0.00 0.00 64.34 64.12 1f6v n VAL 18 Cb 0.76 0.91 -0.14 0.00 -0.91 0.00 0.00 33.84 34.46 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 -1.55 0.67 0.18 5.55 -0.00 -1.21 -3.58 118.16 118.22 1f6v n LYS 19 Ca 0.04 0.27 0.13 0.00 -0.00 0.00 0.00 58.31 58.75 1f6v n LYS 19 Cb 0.35 -1.76 0.29 0.00 -0.00 0.00 0.00 35.03 33.92 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 0.71 1.00 0.06 0.58 0.00 -1.38 -2.27 119.26 117.97 1f6v h ALA 20 Ca -0.34 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.41 1f6v h ALA 20 Cb 2.03 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.83 1f6v h ALA 20 CO 0.08 0.00 -0.65 0.82 0.00 0.00 0.00 179.25 179.50 1f6v h ILE 21 N 0.00 1.49 0.00 0.00 5.03 -1.66 0.57 117.51 122.94 1f6v h ILE 21 Ca 0.00 -2.29 -0.13 0.00 -0.12 0.00 0.00 64.86 62.32 1f6v h ILE 21 Cb 0.86 2.92 -0.02 0.00 -3.03 0.00 0.00 36.82 37.55 1f6v h ILE 21 CO 0.00 0.65 -0.73 0.00 -0.68 0.00 0.00 178.15 177.39 1f6v h ALA 22 N 0.19 0.64 0.00 1.87 0.00 -1.62 -3.32 119.26 117.03 1f6v h ALA 22 Ca -0.10 -0.58 -0.04 0.00 0.00 0.00 0.00 54.91 54.19 1f6v h ALA 22 Cb 1.43 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 1f6v h ALA 22 CO 0.12 0.74 -1.49 -3.47 0.00 0.00 0.00 179.25 175.16 1f6v n ASP 23 N -3.17 0.50 -4.42 0.00 -0.08 -0.85 -4.61 116.55 103.91 1f6v n ASP 23 Ca -0.01 0.20 -0.22 0.00 -1.51 0.00 0.00 54.79 53.25 1f6v n ASP 23 Cb 0.78 1.01 0.11 0.00 2.34 0.00 0.00 41.12 45.36 1f6v n ASP 23 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1f6v n ALA 24 N -2.27 0.21 -0.72 -1.67 0.00 0.19 -2.84 120.51 113.42 1f6v n ALA 24 Ca -0.04 -1.86 0.00 0.00 0.00 0.00 0.00 53.44 51.54 1f6v n ALA 24 Cb 0.62 0.31 0.00 0.00 0.00 0.00 0.00 19.45 20.39 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 -2.77 0.00 -2.81 0.00 8.01 -1.26 -3.75 117.44 114.86 1f6v n TRP 25 Ca 0.16 0.00 -0.43 0.00 -1.31 0.00 0.00 57.50 55.91 1f6v n TRP 25 Cb 0.56 0.06 0.01 0.00 -2.01 0.00 0.00 31.31 29.93 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 2.96 3.92 -0.01 -0.99 -0.06 -1.25 -4.61 117.38 117.34 1f6v n GLN 26 Ca 0.00 -4.09 0.11 0.00 -2.00 0.00 0.00 57.00 51.01 1f6v n GLN 26 Cb 0.00 -2.73 -0.16 0.00 -4.06 0.00 0.00 30.24 23.29 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 2.61 0.00 0.00 1.69 0.00 -1.25 -4.71 119.36 117.70 1f6v n ILE 27 Ca 0.32 -0.46 0.00 0.00 0.00 0.00 0.00 62.75 62.61 1f6v n ILE 27 Cb 0.36 0.07 0.00 0.00 0.00 0.00 0.00 39.64 40.08 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 -2.19 0.00 0.00 9.51 5.15 -1.26 -4.26 115.26 122.21 1f6v n ASN 28 Ca -0.03 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.95 1f6v n ASN 28 Cb 0.54 0.20 0.00 0.00 -0.53 0.00 0.00 39.78 39.99 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 -0.94 1.81 0.01 8.20 0.00 -1.26 -4.82 105.19 108.19 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 -0.27 3.31 0.14 1.61 2.13 -1.26 -4.22 120.64 122.08 1f6v n GLU 30 Ca 0.00 0.00 0.11 0.00 0.66 0.00 0.00 57.16 57.93 1f6v n GLU 30 Cb 0.00 -1.03 0.06 0.00 0.27 0.00 0.00 31.44 30.74 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 0.02 5.31 6.56 -1.88 -3.25 116.57 123.33 1f6v h LYS 31 Ca -0.03 0.00 -0.31 0.00 -1.06 0.00 0.00 60.65 59.26 1f6v h LYS 31 Cb 1.06 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 32.67 1f6v h LYS 31 CO 0.00 0.02 -1.79 -0.85 -2.06 0.00 0.00 179.45 174.78 1f6v n GLU 32 N -2.85 0.65 0.25 3.15 -0.00 -1.13 -3.74 120.64 116.97 1f6v n GLU 32 Ca 0.01 0.28 0.11 0.00 -0.00 0.00 0.00 57.16 57.56 1f6v n GLU 32 Cb 0.56 -1.77 0.65 0.00 -0.00 0.00 0.00 31.44 30.88 1f6v n GLU 32 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.13 178.50 1f6v h LEU 33 N 0.01 0.00 0.36 -1.84 8.10 -1.73 -2.96 115.31 117.24 1f6v h LEU 33 Ca -0.32 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.65 1f6v h LEU 33 Cb 2.03 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 42.25 1f6v h LEU 33 CO 0.08 0.16 -0.17 -0.08 -4.11 0.00 0.00 178.44 174.32 1f6v h GLU 34 N 0.00 -0.46 -0.38 0.17 4.81 -1.64 0.30 114.58 117.37 1f6v h GLU 34 Ca -0.00 0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.34 1f6v h GLU 34 Cb 0.44 0.10 -0.09 0.00 0.63 0.00 0.00 28.75 29.84 1f6v h GLU 34 CO 0.02 -0.14 -0.32 1.25 -0.73 0.00 0.00 179.01 179.09 1f6v h LEU 35 N -0.93 -1.05 -1.75 1.64 7.12 -1.63 0.63 115.31 119.34 1f6v h LEU 35 Ca -0.05 0.19 -0.03 0.00 0.13 0.00 0.00 57.88 58.11 1f6v h LEU 35 Cb 0.53 0.49 -0.00 0.00 -0.53 0.00 0.00 40.66 41.15 1f6v h LEU 35 CO 0.08 -0.32 -0.16 0.25 -0.13 0.00 0.00 178.44 178.16 1f6v h LEU 36 N -0.25 0.00 -1.61 2.25 7.12 -1.56 0.11 115.31 121.36 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 0.53 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.66 1f6v h LEU 36 CO -0.52 0.16 0.23 -0.61 -0.13 0.00 0.00 178.44 177.57 1f6v h GLN 37 N 0.00 0.00 0.00 1.25 4.15 0.42 -1.66 115.11 119.27 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 0.39 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.08 1f6v h GLN 37 CO 0.02 0.00 -0.39 0.94 -1.93 0.00 0.00 178.83 177.47 1f6v n GLN 38 N -2.51 0.00 0.00 1.69 7.27 -0.49 -4.91 117.38 118.43 1f6v n GLN 38 Ca -0.02 -0.80 0.00 0.00 0.07 0.00 0.00 57.00 56.25 1f6v n GLN 38 Cb 0.27 -0.41 0.00 0.00 2.41 0.00 0.00 30.24 32.51 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 0.00 1.08 1.69 2.08 0.25 -4.34 119.36 120.11 1f6v n ILE 39 Ca 0.00 0.00 0.14 0.00 0.56 0.00 0.00 62.75 63.45 1f6v n ILE 39 Cb 0.66 -0.90 0.63 0.00 -0.75 0.00 0.00 39.64 39.28 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 -1.98 2.31 0.53 -1.39 0.00 -1.16 -1.21 120.51 117.61 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 0.48 -1.45 -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 -1.43 0.78 -2.06 0.00 6.02 -1.26 -4.47 117.38 114.96 1f6v n GLN 41 Ca 0.09 -0.07 -0.00 0.00 -0.01 0.00 0.00 57.00 57.01 1f6v n GLN 41 Cb 0.29 -1.40 0.05 0.00 1.02 0.00 0.00 30.24 30.20 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 -1.72 1.27 0.00 -1.09 -0.00 -1.09 -4.95 118.16 110.59 1f6v n LYS 42 Ca 0.01 -3.00 0.00 0.00 -0.00 0.00 0.00 58.31 55.32 1f6v n LYS 42 Cb 0.37 -1.08 0.00 0.00 -0.00 0.00 0.00 35.03 34.31 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 -0.25 0.00 -1.32 -1.58 -0.04 -0.35 -0.48 135.00 130.98 1f6v n PRO 43 Ca 0.12 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.46 1f6v n PRO 43 Cb 0.94 -0.63 -0.05 0.00 -0.04 0.00 0.00 33.50 33.72 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 1.69 1.08 0.00 0.55 0.00 -1.26 -3.32 105.19 103.93 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 1.17 0.00 -0.78 4.61 0.00 -1.26 -3.40 120.51 120.84 1f6v n ALA 45 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1f6v n ALA 45 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 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 -3.11 117.00 112.62 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 43.38 1f6v n LEU 46 CO 0.00 -0.11 0.00 0.54 0.00 0.00 0.00 177.39 177.82 1f6v n ARG 47 N -1.25 0.00 -0.23 1.96 1.74 0.45 0.78 116.66 120.11 1f6v n ARG 47 Ca 0.00 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.01 1f6v n ARG 47 Cb 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.38 1f6v n ARG 47 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1f6v h ILE 48 N 0.00 0.00 -0.00 0.55 1.08 -1.57 0.34 117.51 117.91 1f6v h ILE 48 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1f6v h ILE 48 Cb 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.75 1f6v h ILE 48 CO 0.00 0.00 -0.24 0.18 -0.69 0.00 0.00 178.15 177.40 1f6v n LEU 49 N -4.32 0.26 0.21 1.44 4.32 0.23 -3.47 117.00 115.68 1f6v n LEU 49 Ca 0.01 0.24 0.04 0.00 -0.02 0.00 0.00 56.01 56.28 1f6v n LEU 49 Cb 0.16 -0.37 0.46 0.00 -1.62 0.00 0.00 43.42 42.05 1f6v n LEU 49 CO -0.08 0.06 0.85 -1.13 -1.22 0.00 0.00 177.39 175.87 1f6v h ASN 50 N 0.03 0.01 -1.64 -1.43 -0.00 0.15 0.39 115.58 113.09 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 0.49 -0.00 -0.07 0.00 -0.00 0.00 0.00 38.32 38.75 1f6v h ASN 50 CO 0.00 0.24 1.21 -0.74 -0.00 0.00 0.00 177.43 178.14 1f6v h HIS 51 N 0.01 0.00 0.00 0.67 2.76 -1.24 0.18 115.15 117.53 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 0.42 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.38 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 -3.98 0.29 0.04 3.26 7.64 -0.73 -4.57 113.62 115.57 1f6v n SER 52 Ca 0.36 -0.64 0.13 0.00 1.01 0.00 0.00 58.87 59.73 1f6v n SER 52 Cb 1.71 0.30 0.38 0.00 -1.01 0.00 0.00 64.21 65.59 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 -0.30 0.47 0.33 -3.43 7.94 0.13 -3.08 117.00 119.05 1f6v n LEU 53 Ca 0.00 0.35 0.21 0.00 -1.11 0.00 0.00 56.01 55.45 1f6v n LEU 53 Cb 0.05 -0.33 1.12 0.00 0.53 0.00 0.00 43.42 44.79 1f6v n LEU 53 CO 0.00 -0.03 1.17 -0.09 -1.11 0.00 0.00 177.39 177.33 1f6v h ARG 54 N 0.00 0.00 -0.55 1.96 9.65 -1.47 0.10 114.38 124.07 1f6v h ARG 54 Ca 0.00 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.85 1f6v h ARG 54 Cb 0.61 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.17 1f6v h ARG 54 CO 0.00 0.00 0.23 -0.07 2.80 0.00 0.00 179.97 182.93 1f6v h LEU 55 N 0.00 0.72 -0.49 3.80 -0.00 -1.82 -2.97 115.31 114.55 1f6v h LEU 55 Ca 0.00 -0.09 0.20 0.00 -0.00 0.00 0.00 57.88 58.00 1f6v h LEU 55 Cb 0.10 -0.19 -0.08 0.00 -0.00 0.00 0.00 40.66 40.49 1f6v h LEU 55 CO -0.00 0.65 0.27 0.00 -0.00 0.00 0.00 178.44 179.36 1f6v n ALA 56 N -2.45 0.50 -0.08 1.53 0.00 0.36 0.19 120.51 120.55 1f6v n ALA 56 Ca 0.05 0.47 -0.09 0.00 0.00 0.00 0.00 53.44 53.87 1f6v n ALA 56 Cb 0.16 -0.48 -0.12 0.00 0.00 0.00 0.00 19.45 19.00 1f6v n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f6v n ALA 57 N -2.64 1.60 -1.80 0.00 0.00 -1.13 -3.77 120.51 112.76 1f6v n ALA 57 Ca 0.18 -1.04 -0.25 0.00 0.00 0.00 0.00 53.44 52.33 1f6v n ALA 57 Cb 0.62 -0.08 -0.05 0.00 0.00 0.00 0.00 19.45 19.94 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 -2.39 2.15 -0.17 0.00 0.00 0.50 -4.72 119.30 114.67 1f6v s MET 58 Ca -0.10 0.39 0.15 0.00 0.00 0.00 0.00 55.69 56.12 1f6v s MET 58 Cb 0.05 -4.79 0.72 0.00 0.00 0.00 0.00 34.83 30.81 1f6v s MET 58 CO 0.64 -3.66 1.62 -2.37 0.00 0.00 0.00 175.02 171.25 1f6v n THR 59 N 8.13 2.18 0.05 10.11 5.66 -1.26 -4.00 114.28 135.14 1f6v n THR 59 Ca 0.39 -1.20 0.01 0.00 -3.05 0.00 0.00 64.05 60.20 1f6v n THR 59 Cb 0.48 -0.13 0.02 0.00 -1.55 0.00 0.00 70.33 69.14 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 0.78 2.34 -1.47 1.79 0.00 -1.26 -4.96 120.51 117.72 1f6v n ALA 60 Ca 0.25 -0.69 -0.16 0.00 0.00 0.00 0.00 53.44 52.84 1f6v n ALA 60 Cb 1.00 -0.07 -0.14 0.00 0.00 0.00 0.00 19.45 20.24 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 -0.03 0.48 -2.18 0.00 -0.00 -1.26 -4.76 115.22 107.48 1f6v n HIS 61 Ca 0.02 -0.02 -0.42 0.00 -0.00 0.00 0.00 57.72 57.29 1f6v n HIS 61 Cb 0.13 -1.42 -0.00 0.00 -0.00 0.00 0.00 29.99 28.70 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 5.90 3.24 0.00 1.57 0.00 -1.26 -3.57 105.19 111.07 1f6v n GLY 62 Ca 0.51 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 7.45 0.00 -3.07 1.61 4.81 -1.26 -5.09 118.16 122.61 1f6v n LYS 63 Ca 0.50 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.98 1f6v n LYS 63 Cb 0.43 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.48 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 -0.92 -1.17 -0.30 3.14 0.00 -1.23 -5.12 107.32 101.71 1f6v s GLY 64 Ca 0.00 1.52 -0.10 0.00 0.00 0.00 0.00 44.72 46.14 1f6v s GLY 64 CO 0.00 4.03 0.85 -1.83 0.00 0.00 0.00 173.10 176.15 1f6v s GLU 65 N 2.59 0.38 0.00 2.90 4.04 -1.26 -4.33 118.70 123.01 1f6v s GLU 65 Ca 0.20 0.79 0.00 0.00 0.04 0.00 0.00 54.97 56.00 1f6v s GLU 65 Cb -0.02 0.46 0.00 0.00 0.02 0.00 0.00 34.13 34.58 1f6v s GLU 65 CO -0.20 -0.29 0.00 -2.13 -1.84 0.00 0.00 175.26 170.80 1f6v n ARG 66 N 5.31 2.26 0.00 -4.83 3.00 -1.26 -4.96 116.66 116.18 1f6v n ARG 66 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.78 1f6v n ARG 66 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.98 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 -2.79 5.15 3.14 -1.26 -4.71 118.33 117.87 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 -0.03 0.00 0.00 -1.06 0.00 0.00 33.84 32.75 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 -0.59 1.05 -0.30 6.55 2.85 -1.26 -4.82 115.26 118.74 1f6v n ASN 68 Ca 0.00 -0.26 0.07 0.00 -0.11 0.00 0.00 54.58 54.28 1f6v n ASN 68 Cb 0.05 0.00 0.15 0.00 1.24 0.00 0.00 39.78 41.22 1f6v n ASN 68 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 1f6v n GLU 69 N -0.12 -0.07 -0.10 1.20 2.13 -1.26 0.83 120.64 123.24 1f6v n GLU 69 Ca 0.00 1.31 -0.07 0.00 0.66 0.00 0.00 57.16 59.06 1f6v n GLU 69 Cb 0.00 -1.98 -0.00 0.00 0.27 0.00 0.00 31.44 29.73 1f6v n GLU 69 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1f6v h ASP 70 N 0.00 -0.78 -0.24 4.31 3.32 -1.93 -1.87 116.42 119.23 1f6v h ASP 70 Ca 0.43 0.16 0.06 0.00 0.02 0.00 0.00 57.03 57.70 1f6v h ASP 70 Cb 0.71 0.39 -0.05 0.00 0.22 0.00 0.00 39.33 40.60 1f6v h ASP 70 CO -0.86 -0.26 -0.02 0.00 -1.72 0.00 0.00 179.24 176.39 1f6v n TYR 71 N -5.39 0.13 0.37 4.55 9.36 0.24 0.13 117.16 126.55 1f6v n TYR 71 Ca 0.01 0.29 -0.18 0.00 3.32 0.00 0.00 57.90 61.34 1f6v n TYR 71 Cb 0.30 -0.67 -0.09 0.00 -0.63 0.00 0.00 39.34 38.25 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 -1.00 -0.23 2.98 3.38 -1.44 1.34 115.31 120.33 1f6v h LEU 72 Ca 0.14 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1f6v h LEU 72 Cb 0.26 0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1f6v h LEU 72 CO -0.23 -0.62 0.00 0.54 0.09 0.00 0.00 178.44 178.21 1f6v n ARG 73 N -5.54 0.07 0.00 1.13 1.74 0.34 -1.02 116.66 113.38 1f6v n ARG 73 Ca -0.13 0.30 0.11 0.00 -0.77 0.00 0.00 57.85 57.36 1f6v n ARG 73 Cb 0.42 -1.63 0.03 0.00 -1.02 0.00 0.00 32.46 30.27 1f6v n ARG 73 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 1f6v n GLN 74 N -1.76 0.59 -0.10 5.56 -0.06 0.10 -2.62 117.38 119.09 1f6v n GLN 74 Ca 0.03 -0.46 -0.16 0.00 -2.00 0.00 0.00 57.00 54.41 1f6v n GLN 74 Cb 0.20 -1.49 -0.06 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 -0.80 0.82 -0.86 1.69 0.00 0.45 -3.26 120.51 118.55 1f6v n ALA 75 Ca 0.07 -0.71 -0.12 0.00 0.00 0.00 0.00 53.44 52.69 1f6v n ALA 75 Cb 0.39 -0.09 0.23 0.00 0.00 0.00 0.00 19.45 19.98 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 -4.44 2.41 0.00 0.00 -1.74 -0.61 -4.44 117.46 108.65 1f6v n PHE 76 Ca -0.26 -1.33 0.00 0.00 -0.56 0.00 0.00 57.45 55.29 1f6v n PHE 76 Cb 0.58 -0.73 0.00 0.00 1.52 0.00 0.00 39.48 40.85 1f6v n PHE 76 CO 0.00 0.00 0.00 -2.13 -0.56 0.00 0.00 176.76 174.07 1f6v n ARG 77 N -0.44 0.00 0.15 3.97 0.63 -1.16 -4.77 116.66 115.04 1f6v n ARG 77 Ca 0.43 0.00 0.09 0.00 -0.92 0.00 0.00 57.85 57.45 1f6v n ARG 77 Cb 1.38 -0.19 0.49 0.00 0.45 0.00 0.00 32.46 34.60 1f6v n ARG 77 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 1f6v n GLU 78 N -1.32 0.12 0.00 -0.14 -0.00 -1.08 -3.55 120.64 114.68 1f6v n GLU 78 Ca 0.00 0.61 0.00 0.00 -0.00 0.00 0.00 57.16 57.77 1f6v n GLU 78 Cb 0.00 -1.98 0.00 0.00 -0.00 0.00 0.00 31.44 29.46 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 -2.16 0.00 0.00 -1.84 4.32 -1.26 -5.06 117.00 111.00 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 0.12 -0.28 0.00 0.00 -1.62 0.00 0.00 43.42 41.63 1f6v n LEU 79 CO 0.08 -0.28 0.00 -0.90 -1.22 0.00 0.00 177.39 175.07 1f6v n ASP 80 N -2.07 0.00 -1.01 -1.43 5.75 -1.23 -4.99 116.55 111.57 1f6v n ASP 80 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1f6v n ASP 80 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1f6v n ASP 80 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1f6v n LEU 81 N 0.00 -1.45 0.00 -2.12 4.77 -1.26 -4.94 117.00 112.00 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 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 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 -1.01 0.00 0.00 -1.43 5.68 -1.26 -4.98 116.55 113.55 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 0.36 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.34 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 -0.23 0.00 -0.28 2.12 0.31 -1.26 -4.79 118.33 114.20 1f6v n VAL 83 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.28 1f6v n VAL 83 Cb 0.00 -0.12 0.09 0.00 -0.91 0.00 0.00 33.84 32.89 1f6v n VAL 83 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1f6v h ASP 84 N 0.00 1.08 -0.09 4.52 5.19 -1.94 -1.26 116.42 123.92 1f6v h ASP 84 Ca 0.00 -0.15 0.00 0.00 -0.62 0.00 0.00 57.03 56.26 1f6v h ASP 84 Cb 0.00 -0.28 0.00 0.00 0.18 0.00 0.00 39.33 39.23 1f6v h ASP 84 CO 0.00 0.94 0.00 2.30 -3.12 0.00 0.00 179.24 179.36 1f6v n ILE 85 N -4.29 0.12 -0.69 0.35 -0.00 -1.26 -4.86 119.36 108.73 1f6v n ILE 85 Ca 0.07 -0.20 -0.03 0.00 -0.00 0.00 0.00 62.75 62.60 1f6v n ILE 85 Cb 0.17 0.09 0.02 0.00 -0.00 0.00 0.00 39.64 39.92 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 -0.15 -0.81 -1.72 7.28 3.41 -0.48 -4.80 113.62 116.36 1f6v n SER 86 Ca 0.15 -0.68 0.08 0.00 -0.26 0.00 0.00 58.87 58.16 1f6v n SER 86 Cb 0.22 -0.09 0.38 0.00 -0.26 0.00 0.00 64.21 64.46 1f6v n SER 86 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1f6v n THR 87 N -2.57 2.34 -4.42 6.66 -1.04 -1.26 -4.94 114.28 109.05 1f6v n THR 87 Ca 0.01 -1.34 -0.25 0.00 -2.04 0.00 0.00 64.05 60.44 1f6v n THR 87 Cb 0.05 -0.09 -0.09 0.00 -1.82 0.00 0.00 70.33 68.38 1f6v n THR 87 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1f6v s LEU 88 N -2.36 2.87 0.00 -4.42 1.43 -1.26 -5.14 118.68 109.81 1f6v s LEU 88 Ca 0.53 -1.07 0.00 0.00 -1.03 0.00 0.00 54.13 52.55 1f6v s LEU 88 Cb 0.38 -1.21 0.00 0.00 0.03 0.00 0.00 46.19 45.39 1f6v s LEU 88 CO 0.20 -0.22 0.00 0.00 0.23 0.00 0.00 176.35 176.56 1f6v n LEU 89 N -0.88 0.00 0.00 1.79 -0.00 -1.26 -4.90 117.00 111.75 1f6v n LEU 89 Ca -0.05 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.85 1f6v n LEU 89 Cb 0.63 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 44.03 1f6v n LEU 89 CO 0.43 0.00 0.23 -2.11 -0.00 0.00 0.00 177.39 175.94 1f6v n ARG 90 N -0.15 0.70 0.00 1.47 1.85 -1.26 -5.26 116.66 114.01 1f6v n ARG 90 Ca 0.00 -2.28 0.14 0.00 -1.00 0.00 0.00 57.85 54.72 1f6v n ARG 90 Cb 0.00 2.34 0.58 0.00 -1.05 0.00 0.00 32.46 34.32 1f6v n ARG 90 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89