#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 -0.28 -1.99 1.61 2.88 -1.26 -4.95 113.62 109.64 1f6v n SER 2 Ca 0.00 0.09 -0.24 0.00 -1.33 0.00 0.00 58.87 57.39 1f6v n SER 2 Cb 0.00 0.51 0.11 0.00 -0.75 0.00 0.00 64.21 64.08 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 -2.37 2.62 -1.54 -1.46 1.74 -1.26 -5.02 116.66 109.36 1f6v n ARG 3 Ca 0.00 -3.41 -0.34 0.00 -0.77 0.00 0.00 57.85 53.33 1f6v n ARG 3 Cb 0.00 -2.16 0.08 0.00 -1.02 0.00 0.00 32.46 29.36 1f6v n ARG 3 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 1f6v s ILE 4 N -4.15 2.46 0.00 0.55 -5.25 -1.26 -4.99 121.20 108.56 1f6v s ILE 4 Ca 0.56 0.23 0.00 0.00 -0.99 0.00 0.00 60.65 60.45 1f6v s ILE 4 Cb 0.46 -2.82 0.00 0.00 2.95 0.00 0.00 42.46 43.05 1f6v s ILE 4 CO 0.02 -0.12 0.00 0.00 -1.79 0.00 0.00 174.94 173.06 1f6v n ALA 5 N -2.56 0.15 -1.74 2.27 0.00 -1.26 -4.89 120.51 112.48 1f6v n ALA 5 Ca 0.13 -0.24 -0.42 0.00 0.00 0.00 0.00 53.44 52.91 1f6v n ALA 5 Cb 0.50 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.92 1f6v n ALA 5 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1f6v s LYS 6 N -0.99 3.82 1.26 0.00 3.01 -1.26 -4.96 119.74 120.62 1f6v s LYS 6 Ca 0.00 2.29 -0.18 0.00 -1.01 0.00 0.00 55.97 57.08 1f6v s LYS 6 Cb 0.00 -4.19 0.31 0.00 -1.01 0.00 0.00 37.83 32.94 1f6v s LYS 6 CO 0.00 -1.31 1.00 0.50 0.51 0.00 0.00 175.35 176.05 1f6v s ARG 7 N 4.99 -1.69 0.00 1.68 6.06 -1.26 -4.94 118.95 123.78 1f6v s ARG 7 Ca 0.88 0.38 0.00 0.00 -2.50 0.00 0.00 55.73 54.50 1f6v s ARG 7 Cb -0.37 -1.50 0.00 0.00 0.06 0.00 0.00 34.95 33.14 1f6v s ARG 7 CO 0.37 -4.12 0.04 -2.37 -2.50 0.00 0.00 175.30 166.72 1f6v n THR 8 N -5.13 0.00 -2.13 4.11 5.66 -1.26 -4.66 114.28 110.86 1f6v n THR 8 Ca 0.08 0.54 -0.27 0.00 -3.05 0.00 0.00 64.05 61.35 1f6v n THR 8 Cb 0.58 -1.13 0.11 0.00 -1.55 0.00 0.00 70.33 68.33 1f6v n THR 8 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1f6v s ALA 9 N -2.81 2.91 -0.94 1.79 0.00 -1.26 -5.00 121.76 116.45 1f6v s ALA 9 Ca 0.00 -1.05 -0.02 0.00 0.00 0.00 0.00 51.96 50.89 1f6v s ALA 9 Cb 0.00 -2.63 0.26 0.00 0.00 0.00 0.00 23.12 20.75 1f6v s ALA 9 CO 0.00 -1.67 1.02 -0.89 0.00 0.00 0.00 175.76 174.22 1f6v n ILE 10 N -3.19 3.77 0.00 0.00 5.41 0.13 -4.48 119.36 120.99 1f6v n ILE 10 Ca 0.11 -5.40 0.00 0.00 1.00 0.00 0.00 62.75 58.46 1f6v n ILE 10 Cb 0.60 -2.28 0.00 0.00 -0.71 0.00 0.00 39.64 37.25 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 1.83 -1.39 -3.24 4.38 5.15 0.87 -4.33 115.26 118.52 1f6v n ASN 11 Ca 0.25 0.00 -0.20 0.00 -0.60 0.00 0.00 54.58 54.02 1f6v n ASN 11 Cb 0.37 0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 39.47 1f6v n ASN 11 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1f6v n LYS 12 N -1.39 0.00 -0.70 1.20 4.01 -1.26 -4.78 118.16 115.23 1f6v n LYS 12 Ca 0.00 0.00 -0.32 0.00 -0.51 0.00 0.00 58.31 57.48 1f6v n LYS 12 Cb 0.00 -0.84 0.16 0.00 -0.51 0.00 0.00 35.03 33.84 1f6v n LYS 12 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 1f6v n THR 13 N 4.45 0.00 -0.34 -0.18 -1.04 -1.26 -3.81 114.28 112.11 1f6v n THR 13 Ca 0.49 -0.25 0.25 0.00 -2.04 0.00 0.00 64.05 62.50 1f6v n THR 13 Cb 0.07 -0.69 0.49 0.00 -1.82 0.00 0.00 70.33 68.38 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 -1.92 0.30 -0.15 -2.82 -0.00 -1.98 1.38 116.57 111.37 1f6v h LYS 14 Ca -0.50 -0.02 -0.14 0.00 -0.00 0.00 0.00 60.65 59.99 1f6v h LYS 14 Cb 1.32 -0.07 0.00 0.00 -0.00 0.00 0.00 32.23 33.48 1f6v h LYS 14 CO 0.38 0.20 -0.47 0.87 -0.00 0.00 0.00 179.45 180.43 1f6v h LYS 15 N 0.31 0.58 -0.67 0.07 1.79 -1.98 -2.97 116.57 113.69 1f6v h LYS 15 Ca 0.74 -0.42 0.00 0.00 -2.18 0.00 0.00 60.65 58.79 1f6v h LYS 15 Cb 1.72 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 32.45 1f6v h LYS 15 CO -0.60 1.05 0.00 0.00 -1.08 0.00 0.00 179.45 178.81 1f6v n ALA 16 N -2.54 2.93 0.09 3.86 0.00 0.20 -3.82 120.51 121.23 1f6v n ALA 16 Ca -0.07 -0.78 -0.11 0.00 0.00 0.00 0.00 53.44 52.48 1f6v n ALA 16 Cb 0.58 -1.03 -0.08 0.00 0.00 0.00 0.00 19.45 18.91 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 1.84 0.27 0.00 0.00 1.82 0.17 -2.52 116.42 118.00 1f6v h ASP 17 Ca 0.00 -0.26 -0.03 0.00 -0.39 0.00 0.00 57.03 56.35 1f6v h ASP 17 Cb 0.96 -0.09 -0.00 0.00 0.68 0.00 0.00 39.33 40.88 1f6v h ASP 17 CO 0.16 1.14 -1.43 0.52 -1.61 0.00 0.00 179.24 178.02 1f6v n VAL 18 N -3.55 0.10 0.01 2.25 0.31 -1.26 -4.29 118.33 111.90 1f6v n VAL 18 Ca -0.05 -0.23 -0.12 0.00 -0.01 0.00 0.00 64.34 63.94 1f6v n VAL 18 Cb 0.92 0.11 -0.14 0.00 -0.91 0.00 0.00 33.84 33.82 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 0.09 0.00 5.55 2.10 -1.71 -3.22 116.57 119.38 1f6v h LYS 19 Ca -0.04 -0.15 0.00 0.00 -2.00 0.00 0.00 60.65 58.46 1f6v h LYS 19 Cb 0.60 0.06 0.00 0.00 -0.90 0.00 0.00 32.23 31.98 1f6v h LYS 19 CO 0.00 0.79 0.00 0.00 -2.00 0.00 0.00 179.45 178.24 1f6v h ALA 20 N 0.76 1.00 -0.05 0.07 0.00 -1.69 -1.92 119.26 117.43 1f6v h ALA 20 Ca -0.26 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.47 1f6v h ALA 20 Cb 1.99 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.77 1f6v h ALA 20 CO 0.10 0.00 -0.74 0.82 0.00 0.00 0.00 179.25 179.43 1f6v h ILE 21 N 0.00 1.41 0.00 0.00 1.08 -1.74 0.10 117.51 118.36 1f6v h ILE 21 Ca 0.00 -2.23 -0.28 0.00 -0.39 0.00 0.00 64.86 61.96 1f6v h ILE 21 Cb 0.43 2.19 -0.05 0.00 -3.07 0.00 0.00 36.82 36.32 1f6v h ILE 21 CO 0.00 0.66 -1.77 0.00 -0.69 0.00 0.00 178.15 176.35 1f6v n ALA 22 N -2.49 1.58 0.29 1.87 0.00 -0.95 -4.19 120.51 116.62 1f6v n ALA 22 Ca -0.04 -0.82 0.11 0.00 0.00 0.00 0.00 53.44 52.70 1f6v n ALA 22 Cb 0.71 -0.76 -0.02 0.00 0.00 0.00 0.00 19.45 19.38 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 -2.96 0.57 -4.74 0.00 -0.08 -0.76 -4.58 116.55 104.00 1f6v n ASP 23 Ca -0.18 0.03 -0.23 0.00 -1.51 0.00 0.00 54.79 52.90 1f6v n ASP 23 Cb 1.03 0.91 0.10 0.00 2.34 0.00 0.00 41.12 45.49 1f6v n ASP 23 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1f6v s ALA 24 N -3.32 3.88 0.00 -1.67 0.00 0.35 -1.87 121.76 119.13 1f6v s ALA 24 Ca -0.00 -1.79 0.00 0.00 0.00 0.00 0.00 51.96 50.17 1f6v s ALA 24 Cb 0.13 -1.92 0.00 0.00 0.00 0.00 0.00 23.12 21.33 1f6v s ALA 24 CO 0.82 -1.34 0.00 0.91 0.00 0.00 0.00 175.76 176.15 1f6v n TRP 25 N -2.72 0.00 -2.89 0.00 8.01 -1.26 -3.86 117.44 114.72 1f6v n TRP 25 Ca 0.15 0.00 -0.43 0.00 -1.31 0.00 0.00 57.50 55.91 1f6v n TRP 25 Cb 0.61 0.03 0.01 0.00 -2.01 0.00 0.00 31.31 29.95 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 8.64 4.48 -0.03 -0.99 -0.06 -1.22 -4.61 117.38 123.59 1f6v n GLN 26 Ca 0.00 -4.44 0.06 0.00 -2.00 0.00 0.00 57.00 50.62 1f6v n GLN 26 Cb 0.00 -2.55 -0.17 0.00 -4.06 0.00 0.00 30.24 23.46 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 1.42 0.30 0.00 1.69 0.00 -1.25 -4.76 119.36 116.76 1f6v n ILE 27 Ca 0.29 -0.58 0.00 0.00 0.00 0.00 0.00 62.75 62.47 1f6v n ILE 27 Cb 0.33 -0.10 0.00 0.00 0.00 0.00 0.00 39.64 39.87 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 -2.37 0.00 0.00 9.51 5.15 -1.26 -4.44 115.26 121.85 1f6v n ASN 28 Ca -0.10 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.88 1f6v n ASN 28 Cb 0.70 0.12 0.00 0.00 -0.53 0.00 0.00 39.78 40.07 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 -1.12 1.88 0.07 8.20 0.00 -1.26 -4.81 105.19 108.16 1f6v n GLY 29 Ca 0.00 -0.37 -0.09 0.00 0.00 0.00 0.00 46.02 45.56 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 1.25 0.07 1.61 4.07 -1.26 -3.75 120.64 122.63 1f6v n GLU 30 Ca 0.00 0.04 -0.10 0.00 -0.06 0.00 0.00 57.16 57.03 1f6v n GLU 30 Cb 0.00 -1.35 -0.13 0.00 -0.06 0.00 0.00 31.44 29.91 1f6v n GLU 30 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 1f6v h LYS 31 N 0.00 0.10 0.11 5.31 6.56 -1.87 -3.14 116.57 123.63 1f6v h LYS 31 Ca -0.37 -0.17 -0.26 0.00 -1.06 0.00 0.00 60.65 58.79 1f6v h LYS 31 Cb 1.74 0.06 -0.00 0.00 -0.57 0.00 0.00 32.23 33.46 1f6v h LYS 31 CO -0.01 1.06 -1.20 1.05 -2.06 0.00 0.00 179.45 178.29 1f6v h GLU 32 N 0.03 0.24 0.00 3.15 -0.00 -1.60 -3.11 114.58 113.28 1f6v h GLU 32 Ca -0.07 -0.40 -0.02 0.00 -0.00 0.00 0.00 59.36 58.87 1f6v h GLU 32 Cb 1.86 0.15 -0.00 0.00 -0.00 0.00 0.00 28.75 30.75 1f6v h GLU 32 CO 0.15 1.19 -0.10 1.37 -0.00 0.00 0.00 179.01 181.62 1f6v h LEU 33 N 0.07 0.00 0.44 3.06 8.10 -1.65 -2.80 115.31 122.54 1f6v h LEU 33 Ca -0.11 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.85 1f6v h LEU 33 Cb 1.93 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 42.15 1f6v h LEU 33 CO 0.19 0.10 -0.21 -0.08 -4.11 0.00 0.00 178.44 174.32 1f6v h GLU 34 N 0.00 -0.58 -0.29 0.17 4.81 -1.49 0.24 114.58 117.44 1f6v h GLU 34 Ca -0.00 0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.32 1f6v h GLU 34 Cb 0.20 0.13 -0.08 0.00 0.63 0.00 0.00 28.75 29.63 1f6v h GLU 34 CO 0.01 -0.27 -0.45 1.25 -0.73 0.00 0.00 179.01 178.83 1f6v h LEU 35 N -0.94 -1.45 -1.99 1.64 7.12 -1.52 0.55 115.31 118.71 1f6v h LEU 35 Ca -0.06 0.20 -0.02 0.00 0.13 0.00 0.00 57.88 58.13 1f6v h LEU 35 Cb 0.57 0.61 -0.00 0.00 -0.53 0.00 0.00 40.66 41.31 1f6v h LEU 35 CO 0.10 -0.40 -0.10 0.25 -0.13 0.00 0.00 178.44 178.16 1f6v h LEU 36 N -0.41 0.00 -1.62 2.25 7.12 -1.55 0.40 115.31 121.50 1f6v h LEU 36 Ca 0.10 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.11 1f6v h LEU 36 Cb 0.61 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.74 1f6v h LEU 36 CO -0.51 0.10 0.23 -0.61 -0.13 0.00 0.00 178.44 177.52 1f6v h GLN 37 N 0.00 0.00 0.00 1.25 4.15 0.37 -1.86 115.11 119.02 1f6v h GLN 37 Ca -0.00 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 1f6v h GLN 37 Cb 0.28 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.93 1f6v h GLN 37 CO 0.01 0.00 -0.42 0.94 -1.93 0.00 0.00 178.83 177.43 1f6v n GLN 38 N -2.51 0.00 0.00 1.69 0.00 -0.50 -4.91 117.38 111.15 1f6v n GLN 38 Ca -0.02 -0.86 0.00 0.00 -0.00 0.00 0.00 57.00 56.13 1f6v n GLN 38 Cb 0.26 -0.30 0.00 0.00 0.00 0.00 0.00 30.24 30.20 1f6v n GLN 38 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 1f6v n ILE 39 N 0.05 0.00 1.27 1.69 -0.00 0.01 -4.34 119.36 118.04 1f6v n ILE 39 Ca -0.00 0.00 0.14 0.00 -0.00 0.00 0.00 62.75 62.89 1f6v n ILE 39 Cb 0.69 -0.89 0.70 0.00 -0.00 0.00 0.00 39.64 40.15 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 -1.85 2.41 0.46 -1.39 0.00 -1.17 -1.03 120.51 117.95 1f6v n ALA 40 Ca 0.00 -0.13 0.08 0.00 0.00 0.00 0.00 53.44 53.39 1f6v n ALA 40 Cb 0.45 -1.47 -0.11 0.00 0.00 0.00 0.00 19.45 18.32 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 -1.35 1.19 -2.18 0.00 6.02 -1.26 -4.47 117.38 115.34 1f6v n GLN 41 Ca 0.12 -0.06 -0.02 0.00 -0.01 0.00 0.00 57.00 57.03 1f6v n GLN 41 Cb 0.27 -1.32 0.05 0.00 1.02 0.00 0.00 30.24 30.26 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 -1.66 1.55 0.00 -1.09 -0.00 -1.08 -4.96 118.16 110.91 1f6v n LYS 42 Ca 0.01 -3.19 0.00 0.00 -0.00 0.00 0.00 58.31 55.12 1f6v n LYS 42 Cb 0.33 -1.29 0.00 0.00 -0.00 0.00 0.00 35.03 34.07 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 -0.37 0.00 -1.48 -1.58 -0.04 -0.20 0.19 135.00 131.53 1f6v n PRO 43 Ca 0.13 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.43 1f6v n PRO 43 Cb 0.91 -0.56 -0.07 0.00 -0.04 0.00 0.00 33.50 33.74 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 1.51 1.58 0.00 0.55 0.00 -1.26 -0.09 105.19 107.48 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 0.89 0.24 -0.40 4.61 0.00 -1.26 -4.38 120.51 120.21 1f6v n ALA 45 Ca -0.17 0.00 0.33 0.00 0.00 0.00 0.00 53.44 53.60 1f6v n ALA 45 Cb 0.55 0.00 0.60 0.00 0.00 0.00 0.00 19.45 20.60 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 0.31 -0.40 0.00 7.12 -1.90 0.22 115.31 120.67 1f6v h LEU 46 Ca 0.00 0.15 0.08 0.00 0.13 0.00 0.00 57.88 58.24 1f6v h LEU 46 Cb 0.00 0.13 -0.08 0.00 -0.53 0.00 0.00 40.66 40.18 1f6v h LEU 46 CO 0.00 -0.17 -0.13 0.03 -0.13 0.00 0.00 178.44 178.04 1f6v h ARG 47 N 0.14 -0.04 0.24 1.25 3.08 -1.78 2.80 114.38 120.07 1f6v h ARG 47 Ca 0.79 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.84 1f6v h ARG 47 Cb 2.30 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 32.33 1f6v h ARG 47 CO -0.47 -0.02 -0.32 0.82 -1.07 0.00 0.00 179.97 178.90 1f6v h ILE 48 N -0.04 0.00 0.00 2.04 1.08 -0.35 0.89 117.51 121.14 1f6v h ILE 48 Ca 0.19 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.66 1f6v h ILE 48 Cb 0.33 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.08 1f6v h ILE 48 CO -0.43 0.00 0.00 0.18 -0.69 0.00 0.00 178.15 177.21 1f6v n LEU 49 N -4.31 0.00 0.18 1.44 4.32 -1.07 -2.71 117.00 114.84 1f6v n LEU 49 Ca -0.07 0.02 0.03 0.00 -0.02 0.00 0.00 56.01 55.97 1f6v n LEU 49 Cb 0.28 -0.02 0.31 0.00 -1.62 0.00 0.00 43.42 42.37 1f6v n LEU 49 CO 0.14 -0.01 0.65 -1.13 -1.22 0.00 0.00 177.39 175.83 1f6v h ASN 50 N 0.00 0.00 -1.36 -1.43 -0.00 0.75 0.42 115.58 113.97 1f6v h ASN 50 Ca 0.00 0.00 0.39 0.00 -0.00 0.00 0.00 56.30 56.69 1f6v h ASN 50 Cb 0.01 0.00 -0.05 0.00 -0.00 0.00 0.00 38.32 38.28 1f6v h ASN 50 CO 0.00 0.44 1.14 -0.74 -0.00 0.00 0.00 177.43 178.26 1f6v h HIS 51 N 0.00 0.00 0.00 0.67 2.76 -1.30 0.71 115.15 117.99 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 0.86 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.82 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 -3.76 0.16 0.11 3.26 7.64 -0.97 -4.51 113.62 115.55 1f6v n SER 52 Ca 0.30 -0.50 0.13 0.00 1.01 0.00 0.00 58.87 59.81 1f6v n SER 52 Cb 1.56 0.28 0.31 0.00 -1.01 0.00 0.00 64.21 65.35 1f6v n SER 52 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1f6v h LEU 53 N 0.00 0.00 -2.12 -3.43 5.85 0.21 -2.98 115.31 112.84 1f6v h LEU 53 Ca 0.00 -0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.72 1f6v h LEU 53 Cb 0.10 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1f6v h LEU 53 CO 0.00 0.02 0.31 -0.09 -0.34 0.00 0.00 178.44 178.34 1f6v h ARG 54 N 0.00 0.00 -0.86 1.25 2.43 -1.51 0.35 114.38 116.04 1f6v h ARG 54 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1f6v h ARG 54 Cb 0.79 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.30 1f6v h ARG 54 CO 0.00 0.00 0.46 -0.07 -1.51 0.00 0.00 179.97 178.85 1f6v h LEU 55 N 0.00 1.09 -0.94 3.80 -0.00 -1.80 -2.31 115.31 115.15 1f6v h LEU 55 Ca 0.07 -0.11 0.31 0.00 -0.00 0.00 0.00 57.88 58.15 1f6v h LEU 55 Cb 0.69 -0.28 -0.08 0.00 -0.00 0.00 0.00 40.66 41.00 1f6v h LEU 55 CO -0.00 0.88 0.63 0.00 -0.00 0.00 0.00 178.44 179.95 1f6v n ALA 56 N -2.40 0.92 -0.06 1.53 0.00 0.12 0.23 120.51 120.86 1f6v n ALA 56 Ca 0.09 0.51 -0.06 0.00 0.00 0.00 0.00 53.44 53.98 1f6v n ALA 56 Cb 0.11 -0.67 -0.11 0.00 0.00 0.00 0.00 19.45 18.78 1f6v n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f6v n ALA 57 N -2.56 1.71 -1.80 0.00 0.00 -1.04 -3.46 120.51 113.36 1f6v n ALA 57 Ca 0.26 -0.86 -0.20 0.00 0.00 0.00 0.00 53.44 52.64 1f6v n ALA 57 Cb 1.04 -0.05 -0.07 0.00 0.00 0.00 0.00 19.45 20.37 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 -2.35 1.96 -0.26 0.00 0.00 0.64 -4.69 119.30 114.59 1f6v s MET 58 Ca -0.07 -0.14 0.08 0.00 0.00 0.00 0.00 55.69 55.57 1f6v s MET 58 Cb 0.04 -4.97 0.62 0.00 0.00 0.00 0.00 34.83 30.53 1f6v s MET 58 CO 0.55 -4.22 1.60 -2.37 0.00 0.00 0.00 175.02 170.58 1f6v n THR 59 N 8.41 2.44 -0.13 10.11 5.66 -1.26 -3.90 114.28 135.61 1f6v n THR 59 Ca 0.43 -1.29 0.00 0.00 -3.05 0.00 0.00 64.05 60.15 1f6v n THR 59 Cb 0.45 -0.41 0.00 0.00 -1.55 0.00 0.00 70.33 68.82 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 0.02 2.12 -1.49 1.79 0.00 -1.26 -4.97 120.51 116.72 1f6v n ALA 60 Ca 0.32 -0.53 -0.15 0.00 0.00 0.00 0.00 53.44 53.08 1f6v n ALA 60 Cb 1.18 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 20.51 1f6v n ALA 60 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1f6v n HIS 61 N -0.08 0.66 -2.63 0.00 -0.00 -1.25 -4.79 115.22 107.12 1f6v n HIS 61 Ca 0.00 -0.03 -0.42 0.00 -0.00 0.00 0.00 57.72 57.27 1f6v n HIS 61 Cb 0.08 -1.76 -0.01 0.00 -0.00 0.00 0.00 29.99 28.29 1f6v n HIS 61 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1f6v s GLY 62 N 6.18 1.58 0.00 1.57 0.00 -1.26 -3.63 107.32 111.76 1f6v s GLY 62 Ca 0.95 -2.68 0.00 0.00 0.00 0.00 0.00 44.72 43.00 1f6v s GLY 62 CO 0.24 2.59 0.00 1.17 0.00 0.00 0.00 173.10 177.11 1f6v n LYS 63 N 8.21 0.00 -3.15 2.90 0.00 -1.26 -5.09 118.16 119.76 1f6v n LYS 63 Ca 0.39 0.00 0.05 0.00 0.00 0.00 0.00 58.31 58.75 1f6v n LYS 63 Cb 0.48 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.51 1f6v n LYS 63 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1f6v s GLY 64 N 0.00 -1.13 -0.29 3.14 0.00 -1.24 -5.15 107.32 102.65 1f6v s GLY 64 Ca 0.00 1.47 -0.21 0.00 0.00 0.00 0.00 44.72 45.98 1f6v s GLY 64 CO 0.00 3.82 1.13 -1.83 0.00 0.00 0.00 173.10 176.22 1f6v s GLU 65 N 2.88 0.31 0.00 2.90 4.04 -1.26 -4.57 118.70 123.00 1f6v s GLU 65 Ca 0.16 0.44 0.00 0.00 0.04 0.00 0.00 54.97 55.61 1f6v s GLU 65 Cb -0.08 0.12 0.00 0.00 0.02 0.00 0.00 34.13 34.19 1f6v s GLU 65 CO -0.24 -0.05 0.00 -2.13 -1.84 0.00 0.00 175.26 171.00 1f6v n ARG 66 N 2.64 3.50 -2.93 -4.83 3.00 -1.26 -5.02 116.66 111.76 1f6v n ARG 66 Ca -0.14 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.57 1f6v n ARG 66 Cb 0.57 0.00 0.03 0.00 0.00 0.00 0.00 32.46 33.06 1f6v n ARG 66 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 1f6v n VAL 67 N 0.00 -0.11 -2.74 5.15 0.24 -1.26 -4.76 118.33 114.86 1f6v n VAL 67 Ca 0.00 -2.80 0.00 0.00 -2.04 0.00 0.00 64.34 59.50 1f6v n VAL 67 Cb 0.00 0.62 0.00 0.00 -1.47 0.00 0.00 33.84 32.99 1f6v n VAL 67 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1f6v n ASN 68 N 0.51 0.00 -0.47 -1.34 5.03 -1.26 -4.87 115.26 112.85 1f6v n ASN 68 Ca 0.14 0.00 0.39 0.00 0.87 0.00 0.00 54.58 55.98 1f6v n ASN 68 Cb 0.67 0.00 0.68 0.00 -1.02 0.00 0.00 39.78 40.11 1f6v n ASN 68 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 1f6v h GLU 69 N 0.00 0.08 -0.12 3.52 5.08 -1.81 0.83 114.58 122.16 1f6v h GLU 69 Ca 0.00 -0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1f6v h GLU 69 Cb 0.00 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 1f6v h GLU 69 CO 0.00 0.05 -0.11 -0.44 -1.00 0.00 0.00 179.01 177.51 1f6v h ASP 70 N 0.08 0.30 -0.57 1.42 3.32 -1.92 -3.17 116.42 115.88 1f6v h ASP 70 Ca 0.81 -0.47 0.16 0.00 0.02 0.00 0.00 57.03 57.54 1f6v h ASP 70 Cb 2.69 -0.09 -0.11 0.00 0.22 0.00 0.00 39.33 42.05 1f6v h ASP 70 CO -0.32 0.71 0.01 0.00 -1.72 0.00 0.00 179.24 177.92 1f6v n TYR 71 N -4.62 0.36 0.19 4.55 9.36 0.29 0.11 117.16 127.40 1f6v n TYR 71 Ca -0.06 0.69 -0.15 0.00 3.32 0.00 0.00 57.90 61.70 1f6v n TYR 71 Cb 0.33 -0.93 -0.08 0.00 -0.63 0.00 0.00 39.34 38.03 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 -0.36 -0.22 2.98 3.38 -1.57 1.03 115.31 120.56 1f6v h LEU 72 Ca 0.35 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1f6v h LEU 72 Cb 0.71 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1f6v h LEU 72 CO -0.54 -0.24 0.00 0.54 0.09 0.00 0.00 178.44 178.29 1f6v n ARG 73 N -5.26 0.07 0.00 1.13 3.00 0.29 -0.99 116.66 114.90 1f6v n ARG 73 Ca -0.10 0.28 0.11 0.00 -0.01 0.00 0.00 57.85 58.13 1f6v n ARG 73 Cb 0.19 -1.63 0.05 0.00 0.00 0.00 0.00 32.46 31.07 1f6v n ARG 73 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1f6v n GLN 74 N -1.77 0.80 -0.10 5.56 -0.06 0.62 -2.57 117.38 119.86 1f6v n GLN 74 Ca 0.04 -0.63 -0.15 0.00 -2.00 0.00 0.00 57.00 54.26 1f6v n GLN 74 Cb 0.22 -1.49 -0.06 0.00 -4.06 0.00 0.00 30.24 24.86 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 -0.55 0.84 -0.84 1.69 0.00 0.34 -3.35 120.51 118.64 1f6v n ALA 75 Ca 0.08 -0.75 -0.15 0.00 0.00 0.00 0.00 53.44 52.62 1f6v n ALA 75 Cb 0.41 -0.03 0.19 0.00 0.00 0.00 0.00 19.45 20.02 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 2.46 0.00 0.00 -1.74 -0.45 -4.45 117.46 108.83 1f6v n PHE 76 Ca -0.25 -1.44 0.00 0.00 -0.56 0.00 0.00 57.45 55.20 1f6v n PHE 76 Cb 0.57 -0.77 0.00 0.00 1.52 0.00 0.00 39.48 40.81 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 -0.61 0.00 0.31 3.97 0.63 -1.18 -4.77 116.66 115.01 1f6v n ARG 77 Ca 0.46 0.00 0.14 0.00 -0.92 0.00 0.00 57.85 57.53 1f6v n ARG 77 Cb 1.42 -0.12 0.76 0.00 0.45 0.00 0.00 32.46 34.97 1f6v n ARG 77 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 1f6v h GLU 78 N 0.00 0.00 0.00 -0.14 -0.00 -1.50 -3.05 114.58 109.89 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 -0.06 1.28 -0.00 0.00 0.00 179.01 180.23 1f6v n LEU 79 N -2.76 0.17 0.00 3.06 4.32 -1.26 -5.06 117.00 115.47 1f6v n LEU 79 Ca -0.02 0.20 0.00 0.00 -0.02 0.00 0.00 56.01 56.17 1f6v n LEU 79 Cb 0.36 -0.53 0.00 0.00 -1.62 0.00 0.00 43.42 41.63 1f6v n LEU 79 CO 0.12 -0.49 0.00 -0.90 -1.22 0.00 0.00 177.39 174.90 1f6v n ASP 80 N -2.54 0.00 -0.76 -1.43 5.68 -1.15 -4.94 116.55 111.41 1f6v n ASP 80 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.28 1f6v n ASP 80 Cb 0.03 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.01 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 -1.65 0.00 -2.12 4.77 -1.26 -4.94 117.00 111.81 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 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 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 -0.49 0.00 0.00 -1.43 5.68 -1.26 -4.98 116.55 114.08 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 0.41 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.39 1f6v n ASP 82 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 1f6v n VAL 83 N -0.29 0.00 0.06 2.12 0.24 -1.26 -4.83 118.33 114.37 1f6v n VAL 83 Ca 0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.27 1f6v n VAL 83 Cb 0.00 0.00 0.22 0.00 -1.47 0.00 0.00 33.84 32.59 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 0.35 -0.68 -1.34 5.19 -1.95 -2.55 116.42 115.44 1f6v h ASP 84 Ca 0.00 -0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.28 1f6v h ASP 84 Cb 0.00 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.41 1f6v h ASP 84 CO 0.00 0.68 0.00 2.30 -3.12 0.00 0.00 179.24 179.10 1f6v n ILE 85 N -4.07 1.25 -1.57 0.35 -0.00 -1.26 -4.85 119.36 109.20 1f6v n ILE 85 Ca -0.01 -1.01 -0.30 0.00 -0.00 0.00 0.00 62.75 61.42 1f6v n ILE 85 Cb 0.44 0.34 0.22 0.00 -0.00 0.00 0.00 39.64 40.64 1f6v n ILE 85 CO 0.00 0.00 0.00 -0.55 -0.00 0.00 0.00 176.55 176.00 1f6v s SER 86 N -0.95 2.00 -0.38 7.28 0.15 -0.96 -4.72 113.70 116.12 1f6v s SER 86 Ca 0.48 0.36 0.07 0.00 0.70 0.00 0.00 55.95 57.56 1f6v s SER 86 Cb 0.27 -0.43 0.70 0.00 -1.71 0.00 0.00 66.02 64.86 1f6v s SER 86 CO 0.29 -3.43 1.84 0.41 1.20 0.00 0.00 173.24 173.55 1f6v n THR 87 N -4.25 3.04 0.12 6.45 -1.04 -1.26 -4.10 114.28 113.24 1f6v n THR 87 Ca 0.15 -1.82 0.02 0.00 -2.04 0.00 0.00 64.05 60.36 1f6v n THR 87 Cb 0.59 -0.40 -0.02 0.00 -1.82 0.00 0.00 70.33 68.68 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 -0.63 0.12 -0.07 -4.42 4.77 -1.26 -4.75 117.00 110.75 1f6v n LEU 88 Ca 0.49 -0.35 -0.07 0.00 -0.03 0.00 0.00 56.01 56.05 1f6v n LEU 88 Cb 1.50 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 42.55 1f6v n LEU 88 CO 0.50 0.03 -0.27 0.25 -1.33 0.00 0.00 177.39 176.57 1f6v h LEU 89 N 0.00 0.00 0.00 2.23 5.85 -1.80 -3.46 115.31 118.13 1f6v h LEU 89 Ca 0.00 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.58 1f6v h LEU 89 Cb 0.11 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1f6v h LEU 89 CO 0.00 0.84 0.00 -1.14 -0.34 0.00 0.00 178.44 177.80 1f6v n ARG 90 N -4.62 0.00 0.00 1.25 0.63 -1.26 -5.17 116.66 107.49 1f6v n ARG 90 Ca -0.10 0.00 0.06 0.00 -0.92 0.00 0.00 57.85 56.89 1f6v n ARG 90 Cb 0.29 0.00 0.38 0.00 0.45 0.00 0.00 32.46 33.59 1f6v n ARG 90 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39