#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 5.55 -0.56 1.61 0.15 -1.26 -4.91 113.70 114.28 1f6v s SER 2 Ca 0.00 -2.87 -0.02 0.00 0.70 0.00 0.00 55.95 53.77 1f6v s SER 2 Cb 0.00 -1.93 0.36 0.00 -1.71 0.00 0.00 66.02 62.75 1f6v s SER 2 CO 0.00 -0.40 2.05 -1.14 1.20 0.00 0.00 173.24 174.95 1f6v n ARG 3 N 3.52 2.41 -2.34 5.44 0.63 -1.26 -4.97 116.66 120.09 1f6v n ARG 3 Ca 0.10 -2.73 -0.33 0.00 -0.92 0.00 0.00 57.85 53.96 1f6v n ARG 3 Cb 0.40 -2.07 -0.02 0.00 0.45 0.00 0.00 32.46 31.21 1f6v n ARG 3 CO 0.00 0.00 0.00 0.96 -2.51 0.00 0.00 177.63 176.08 1f6v s ILE 4 N -3.98 4.05 0.00 5.15 -4.36 -1.26 -5.02 121.20 115.78 1f6v s ILE 4 Ca 0.54 1.08 0.00 0.00 -0.26 0.00 0.00 60.65 62.01 1f6v s ILE 4 Cb 0.42 -3.51 0.00 0.00 1.25 0.00 0.00 42.46 40.62 1f6v s ILE 4 CO -0.03 -0.47 0.00 0.00 0.24 0.00 0.00 174.94 174.68 1f6v n ALA 5 N -1.51 0.08 -2.46 2.27 0.00 -1.26 -4.89 120.51 112.74 1f6v n ALA 5 Ca 0.08 -0.09 -0.43 0.00 0.00 0.00 0.00 53.44 53.00 1f6v n ALA 5 Cb 0.53 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.96 1f6v n ALA 5 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1f6v s LYS 6 N -0.36 3.82 0.00 0.00 2.20 -1.26 -5.01 119.74 119.13 1f6v s LYS 6 Ca 0.00 1.02 0.00 0.00 -0.36 0.00 0.00 55.97 56.63 1f6v s LYS 6 Cb 0.00 -3.90 0.00 0.00 -1.51 0.00 0.00 37.83 32.42 1f6v s LYS 6 CO 0.00 -1.25 0.00 -2.13 -0.36 0.00 0.00 175.35 171.61 1f6v n ARG 7 N 7.54 1.32 -0.14 4.03 3.00 -1.26 -4.98 116.66 126.17 1f6v n ARG 7 Ca 0.14 0.00 -0.25 0.00 -0.00 0.00 0.00 57.85 57.74 1f6v n ARG 7 Cb 0.47 0.00 -0.11 0.00 0.00 0.00 0.00 32.46 32.83 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 -0.74 1.52 -2.18 5.15 -1.04 -1.26 -4.99 114.28 110.74 1f6v n THR 8 Ca 0.00 -0.46 -0.28 0.00 -2.04 0.00 0.00 64.05 61.28 1f6v n THR 8 Cb 0.00 -1.71 0.17 0.00 -1.82 0.00 0.00 70.33 66.97 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 -2.51 2.74 -0.20 2.41 0.00 -1.26 -5.04 121.76 117.89 1f6v s ALA 9 Ca -0.37 -1.47 -0.16 0.00 0.00 0.00 0.00 51.96 49.96 1f6v s ALA 9 Cb 0.13 -2.46 -0.09 0.00 0.00 0.00 0.00 23.12 20.69 1f6v s ALA 9 CO 0.53 -2.18 -0.22 -0.89 0.00 0.00 0.00 175.76 173.00 1f6v n ILE 10 N -3.48 1.49 -2.37 0.00 5.41 0.10 -4.74 119.36 115.77 1f6v n ILE 10 Ca 0.16 -0.01 -0.03 0.00 1.00 0.00 0.00 62.75 63.87 1f6v n ILE 10 Cb 0.60 -2.19 -0.03 0.00 -0.71 0.00 0.00 39.64 37.32 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 -4.44 -3.93 0.00 4.38 2.85 0.23 -4.65 115.26 109.70 1f6v n ASN 11 Ca -0.26 1.41 0.00 0.00 -0.11 0.00 0.00 54.58 55.62 1f6v n ASN 11 Cb 0.59 -4.83 0.00 0.00 1.24 0.00 0.00 39.78 36.78 1f6v n ASN 11 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1f6v n LYS 12 N 1.59 0.00 0.00 1.20 4.76 -1.26 -4.83 118.16 119.62 1f6v n LYS 12 Ca -0.23 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.21 1f6v n LYS 12 Cb 0.35 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.54 1f6v n LYS 12 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1f6v n THR 13 N 0.00 0.00 -0.33 -0.18 -2.24 -1.25 -4.86 114.28 105.41 1f6v n THR 13 Ca 0.00 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.92 1f6v n THR 13 Cb 0.00 0.00 0.29 0.00 -2.10 0.00 0.00 70.33 68.52 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 0.00 0.03 -0.03 -0.78 1.57 -1.95 3.16 116.57 118.57 1f6v h LYS 14 Ca 0.00 -0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.55 1f6v h LYS 14 Cb 0.00 -0.01 0.02 0.00 0.08 0.00 0.00 32.23 32.32 1f6v h LYS 14 CO 0.00 0.02 -0.85 0.87 -0.57 0.00 0.00 179.45 178.92 1f6v h LYS 15 N 0.03 0.63 -0.80 3.15 1.57 -2.01 -3.10 116.57 116.04 1f6v h LYS 15 Ca 0.59 -0.64 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 1f6v h LYS 15 Cb 1.21 0.17 -0.04 0.00 0.08 0.00 0.00 32.23 33.65 1f6v h LYS 15 CO -0.87 1.24 0.09 0.00 -0.57 0.00 0.00 179.45 179.34 1f6v n ALA 16 N -2.62 3.58 0.21 3.86 0.00 0.16 -4.03 120.51 121.67 1f6v n ALA 16 Ca -0.10 -1.30 0.10 0.00 0.00 0.00 0.00 53.44 52.14 1f6v n ALA 16 Cb 0.79 -1.12 0.21 0.00 0.00 0.00 0.00 19.45 19.33 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 2.04 0.00 0.00 0.00 1.82 0.56 -2.12 116.42 118.72 1f6v h ASP 17 Ca 0.09 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.73 1f6v h ASP 17 Cb 1.57 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.58 1f6v h ASP 17 CO 0.38 0.12 -1.05 0.52 -1.61 0.00 0.00 179.24 177.61 1f6v n VAL 18 N -3.14 0.00 0.01 2.25 0.31 -1.26 -4.31 118.33 112.19 1f6v n VAL 18 Ca 0.03 -0.25 -0.22 0.00 -0.01 0.00 0.00 64.34 63.89 1f6v n VAL 18 Cb 0.54 0.58 -0.14 0.00 -0.91 0.00 0.00 33.84 33.91 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 0.26 0.00 5.55 2.10 -1.75 -3.30 116.57 119.44 1f6v h LYS 19 Ca 0.00 -0.45 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 1f6v h LYS 19 Cb 0.37 0.17 0.00 0.00 -0.90 0.00 0.00 32.23 31.87 1f6v h LYS 19 CO 0.00 1.22 0.00 0.00 -2.00 0.00 0.00 179.45 178.67 1f6v h ALA 20 N -0.02 1.00 0.03 0.07 0.00 -1.63 -1.27 119.26 117.44 1f6v h ALA 20 Ca -0.35 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.34 1f6v h ALA 20 Cb 1.88 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.65 1f6v h ALA 20 CO 0.07 0.00 -1.01 0.82 0.00 0.00 0.00 179.25 179.13 1f6v h ILE 21 N 0.00 1.63 0.00 0.00 5.03 -1.75 0.90 117.51 123.32 1f6v h ILE 21 Ca 0.00 -3.18 -0.28 0.00 -0.12 0.00 0.00 64.86 61.28 1f6v h ILE 21 Cb 0.26 2.78 -0.05 0.00 -3.03 0.00 0.00 36.82 36.78 1f6v h ILE 21 CO 0.00 0.91 -1.72 0.00 -0.68 0.00 0.00 178.15 176.67 1f6v n ALA 22 N -2.41 1.53 0.19 1.87 0.00 -0.76 -4.15 120.51 116.79 1f6v n ALA 22 Ca -0.02 -0.77 0.11 0.00 0.00 0.00 0.00 53.44 52.76 1f6v n ALA 22 Cb 0.92 -0.83 -0.05 0.00 0.00 0.00 0.00 19.45 19.49 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 -3.02 0.53 -4.67 0.00 -0.08 -0.55 -4.61 116.55 104.15 1f6v n ASP 23 Ca -0.17 0.08 -0.23 0.00 -1.51 0.00 0.00 54.79 52.96 1f6v n ASP 23 Cb 1.04 1.02 0.11 0.00 2.34 0.00 0.00 41.12 45.63 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 -3.37 3.80 0.00 -1.67 0.00 0.31 -2.43 121.76 118.40 1f6v s ALA 24 Ca -0.02 -1.85 0.00 0.00 0.00 0.00 0.00 51.96 50.09 1f6v s ALA 24 Cb 0.12 -1.92 0.00 0.00 0.00 0.00 0.00 23.12 21.32 1f6v s ALA 24 CO 0.83 -1.50 0.00 0.91 0.00 0.00 0.00 175.76 176.00 1f6v n TRP 25 N -2.84 0.00 -2.73 0.00 8.01 -1.26 -3.78 117.44 114.83 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 2.16 3.80 -0.01 -0.99 -0.06 -1.25 -4.62 117.38 116.41 1f6v n GLN 26 Ca 0.00 -3.96 0.11 0.00 -2.00 0.00 0.00 57.00 51.15 1f6v n GLN 26 Cb 0.00 -2.80 -0.16 0.00 -4.06 0.00 0.00 30.24 23.22 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 2.96 0.04 0.00 1.69 0.00 -1.25 -4.68 119.36 118.13 1f6v n ILE 27 Ca 0.34 -0.51 0.00 0.00 0.00 0.00 0.00 62.75 62.58 1f6v n ILE 27 Cb 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 39.64 39.99 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 -2.28 0.00 0.00 9.51 5.15 -1.26 -3.96 115.26 122.42 1f6v n ASN 28 Ca -0.04 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.94 1f6v n ASN 28 Cb 0.58 0.08 0.00 0.00 -0.53 0.00 0.00 39.78 39.91 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 -1.40 1.63 0.07 8.20 0.00 -1.26 -4.81 105.19 107.62 1f6v n GLY 29 Ca 0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 46.02 45.85 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 1.35 0.04 1.61 2.13 -1.26 -3.94 120.64 120.57 1f6v n GLU 30 Ca 0.00 0.03 -0.08 0.00 0.66 0.00 0.00 57.16 57.77 1f6v n GLU 30 Cb 0.00 -1.33 -0.13 0.00 0.27 0.00 0.00 31.44 30.25 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 0.03 0.00 5.31 6.56 -1.87 -3.25 116.57 123.35 1f6v h LYS 31 Ca -0.35 -0.04 -0.00 0.00 -1.06 0.00 0.00 60.65 59.19 1f6v h LYS 31 Cb 1.70 0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 33.38 1f6v h LYS 31 CO -0.01 0.88 -0.14 1.05 -2.06 0.00 0.00 179.45 179.16 1f6v h GLU 32 N 0.01 0.00 0.00 3.15 -0.00 -1.71 -3.14 114.58 112.89 1f6v h GLU 32 Ca -0.11 0.00 -0.14 0.00 -0.00 0.00 0.00 59.36 59.12 1f6v h GLU 32 Cb 1.86 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 30.59 1f6v h GLU 32 CO 0.12 0.01 -0.65 1.37 -0.00 0.00 0.00 179.01 179.87 1f6v h LEU 33 N 0.00 0.00 0.38 3.06 8.10 -1.68 -3.01 115.31 122.16 1f6v h LEU 33 Ca -0.00 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.97 1f6v h LEU 33 Cb 1.01 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.23 1f6v h LEU 33 CO 0.00 0.65 -0.18 -0.08 -4.11 0.00 0.00 178.44 174.72 1f6v h GLU 34 N 0.00 -0.49 -0.26 0.17 4.81 -1.58 0.31 114.58 117.54 1f6v h GLU 34 Ca -0.01 0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.32 1f6v h GLU 34 Cb 1.19 0.11 -0.08 0.00 0.63 0.00 0.00 28.75 30.60 1f6v h GLU 34 CO 0.08 -0.17 -0.33 1.25 -0.73 0.00 0.00 179.01 179.11 1f6v h LEU 35 N -0.89 -1.07 -1.99 1.64 7.12 -1.60 0.63 115.31 119.15 1f6v h LEU 35 Ca -0.05 0.17 -0.02 0.00 0.13 0.00 0.00 57.88 58.11 1f6v h LEU 35 Cb 0.54 0.47 -0.00 0.00 -0.53 0.00 0.00 40.66 41.14 1f6v h LEU 35 CO 0.08 -0.34 -0.10 0.25 -0.13 0.00 0.00 178.44 178.20 1f6v h LEU 36 N -0.33 0.00 -1.79 2.25 7.12 -1.56 0.23 115.31 121.23 1f6v h LEU 36 Ca 0.13 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.14 1f6v h LEU 36 Cb 0.55 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.68 1f6v h LEU 36 CO -0.44 0.10 0.37 -0.61 -0.13 0.00 0.00 178.44 177.73 1f6v h GLN 37 N 0.00 0.00 0.00 1.25 4.15 0.42 -1.57 115.11 119.36 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 0.27 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.96 1f6v h GLN 37 CO 0.01 0.00 -0.39 1.04 -1.93 0.00 0.00 178.83 177.56 1f6v n GLN 38 N -2.80 0.00 0.00 1.69 3.00 -0.45 -4.90 117.38 113.91 1f6v n GLN 38 Ca -0.02 -0.79 0.00 0.00 -0.01 0.00 0.00 57.00 56.18 1f6v n GLN 38 Cb 0.41 -0.40 0.00 0.00 0.00 0.00 0.00 30.24 30.25 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 0.00 0.00 1.16 5.09 2.08 -0.06 -4.32 119.36 123.31 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 -0.84 0.66 0.00 -0.75 0.00 0.00 39.64 39.37 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 -1.94 2.41 0.54 -1.39 0.00 -1.16 -1.38 120.51 117.60 1f6v n ALA 40 Ca 0.00 -0.12 0.09 0.00 0.00 0.00 0.00 53.44 53.40 1f6v n ALA 40 Cb 0.44 -1.47 -0.11 0.00 0.00 0.00 0.00 19.45 18.31 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 -1.42 1.01 -2.03 0.00 6.02 -1.26 -4.49 117.38 115.21 1f6v n GLN 41 Ca 0.10 -0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 1f6v n GLN 41 Cb 0.30 -1.36 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 -1.65 1.17 0.00 -1.09 -0.00 -1.12 -4.93 118.16 110.54 1f6v n LYS 42 Ca 0.01 -2.93 0.00 0.00 -0.00 0.00 0.00 58.31 55.39 1f6v n LYS 42 Cb 0.34 -1.01 0.00 0.00 -0.00 0.00 0.00 35.03 34.36 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 -0.20 0.00 -2.43 -1.58 -0.04 -0.48 0.00 135.00 130.27 1f6v n PRO 43 Ca 0.11 0.48 -0.05 0.00 -0.04 0.00 0.00 63.50 64.00 1f6v n PRO 43 Cb 0.95 -1.17 -0.00 0.00 -0.04 0.00 0.00 33.50 33.23 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 0.86 -0.47 0.00 0.55 0.00 -1.26 -2.26 105.19 102.61 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 -2.32 0.00 -0.54 4.61 0.00 -1.26 -4.41 120.51 116.59 1f6v n ALA 45 Ca -0.06 0.00 0.44 0.00 0.00 0.00 0.00 53.44 53.82 1f6v n ALA 45 Cb 0.53 0.00 0.73 0.00 0.00 0.00 0.00 19.45 20.71 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 0.13 -0.55 0.00 7.12 -1.88 0.18 115.31 120.31 1f6v h LEU 46 Ca 0.00 0.08 0.10 0.00 0.13 0.00 0.00 57.88 58.19 1f6v h LEU 46 Cb 0.00 0.08 -0.11 0.00 -0.53 0.00 0.00 40.66 40.10 1f6v h LEU 46 CO 0.00 -0.12 -0.33 0.03 -0.13 0.00 0.00 178.44 177.89 1f6v h ARG 47 N 0.03 -0.17 0.00 1.25 3.08 -1.67 1.15 114.38 118.05 1f6v h ARG 47 Ca 0.86 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.92 1f6v h ARG 47 Cb 3.06 0.04 0.00 0.00 0.08 0.00 0.00 29.97 33.15 1f6v h ARG 47 CO -0.25 -0.11 0.00 -0.89 -1.07 0.00 0.00 179.97 177.64 1f6v n ILE 48 N -5.43 0.00 0.22 2.04 5.41 0.64 0.40 119.36 122.64 1f6v n ILE 48 Ca 0.03 1.49 0.07 0.00 1.00 0.00 0.00 62.75 65.34 1f6v n ILE 48 Cb 0.35 -2.16 0.32 0.00 -0.71 0.00 0.00 39.64 37.44 1f6v n ILE 48 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1f6v n LEU 49 N -2.61 0.28 0.27 1.39 7.99 -1.03 -1.88 117.00 121.42 1f6v n LEU 49 Ca 0.00 0.61 0.11 0.00 -0.01 0.00 0.00 56.01 56.71 1f6v n LEU 49 Cb 0.00 -0.61 0.73 0.00 -0.11 0.00 0.00 43.42 43.43 1f6v n LEU 49 CO 0.00 -0.59 1.03 -1.13 -1.51 0.00 0.00 177.39 175.19 1f6v h ASN 50 N 0.00 0.00 -1.71 -1.43 -0.00 0.63 0.57 115.58 113.64 1f6v h ASN 50 Ca 0.00 0.00 0.50 0.00 -0.00 0.00 0.00 56.30 56.80 1f6v h ASN 50 Cb 0.12 0.00 -0.07 0.00 -0.00 0.00 0.00 38.32 38.37 1f6v h ASN 50 CO 0.00 0.07 1.23 -0.74 -0.00 0.00 0.00 177.43 177.98 1f6v h HIS 51 N 0.00 0.01 0.00 0.67 2.76 -1.08 -0.21 115.15 117.31 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 0.14 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.10 1f6v h HIS 51 CO 0.00 -0.00 0.00 0.45 -1.30 0.00 0.00 177.93 177.08 1f6v n SER 52 N -4.03 0.20 0.12 3.26 2.88 -0.67 -4.53 113.62 110.85 1f6v n SER 52 Ca 0.38 -0.87 0.12 0.00 -1.33 0.00 0.00 58.87 57.17 1f6v n SER 52 Cb 1.76 0.03 0.18 0.00 -0.75 0.00 0.00 64.21 65.43 1f6v n SER 52 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1f6v h LEU 53 N 0.00 0.00 -1.90 2.46 5.85 0.19 -3.10 115.31 118.81 1f6v h LEU 53 Ca 0.00 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.71 1f6v h LEU 53 Cb 0.32 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1f6v h LEU 53 CO 0.00 0.03 0.42 -0.09 -0.34 0.00 0.00 178.44 178.46 1f6v h ARG 54 N 0.00 0.00 -0.77 1.25 9.65 -1.52 0.34 114.38 123.33 1f6v h ARG 54 Ca 0.00 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 1f6v h ARG 54 Cb 0.87 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.41 1f6v h ARG 54 CO 0.00 0.00 0.44 -0.07 2.80 0.00 0.00 179.97 183.14 1f6v h LEU 55 N 0.00 0.94 -0.33 3.80 -0.00 -1.82 -2.81 115.31 115.10 1f6v h LEU 55 Ca 0.09 -0.08 0.12 0.00 -0.00 0.00 0.00 57.88 58.01 1f6v h LEU 55 Cb 0.93 -0.24 -0.06 0.00 -0.00 0.00 0.00 40.66 41.29 1f6v h LEU 55 CO -0.00 0.75 0.12 0.00 -0.00 0.00 0.00 178.44 179.31 1f6v n ALA 56 N -2.35 0.28 -0.10 1.53 0.00 0.12 0.26 120.51 120.25 1f6v n ALA 56 Ca 0.07 0.34 -0.11 0.00 0.00 0.00 0.00 53.44 53.74 1f6v n ALA 56 Cb 0.07 -0.31 -0.14 0.00 0.00 0.00 0.00 19.45 19.08 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 -2.99 1.52 -1.54 0.00 0.00 -1.15 -3.88 120.51 112.47 1f6v n ALA 57 Ca 0.11 -1.18 -0.34 0.00 0.00 0.00 0.00 53.44 52.03 1f6v n ALA 57 Cb 0.37 -0.12 -0.06 0.00 0.00 0.00 0.00 19.45 19.63 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 -2.83 0.77 -0.84 0.00 0.00 0.74 -4.72 117.12 110.22 1f6v n MET 58 Ca -0.34 -0.10 0.03 0.00 0.00 0.00 0.00 57.70 57.29 1f6v n MET 58 Cb 1.07 -3.06 0.34 0.00 0.00 0.00 0.00 33.22 31.57 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 7.93 2.72 -0.18 1.12 5.66 -1.26 -4.17 114.28 126.10 1f6v n THR 59 Ca 0.44 -1.64 0.00 0.00 -3.05 0.00 0.00 64.05 59.81 1f6v n THR 59 Cb 0.43 -0.30 0.00 0.00 -1.55 0.00 0.00 70.33 68.91 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 0.08 1.97 -1.44 1.79 0.00 -1.26 -4.98 120.51 116.66 1f6v n ALA 60 Ca 0.31 -0.57 -0.15 0.00 0.00 0.00 0.00 53.44 53.02 1f6v n ALA 60 Cb 1.19 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 20.50 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 -0.13 0.39 -2.42 0.00 -0.00 -1.26 -4.76 115.22 107.04 1f6v n HIS 61 Ca 0.00 -0.02 -0.40 0.00 -0.00 0.00 0.00 57.72 57.30 1f6v n HIS 61 Cb 0.13 -1.26 -0.01 0.00 -0.00 0.00 0.00 29.99 28.85 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 5.74 2.35 0.00 1.57 0.00 -1.26 -3.48 105.19 110.11 1f6v n GLY 62 Ca 0.49 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 -3.15 1.61 4.81 -1.26 -5.10 118.16 123.32 1f6v n LYS 63 Ca 0.48 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.98 1f6v n LYS 63 Cb 0.46 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.50 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 -0.64 -0.70 -0.30 3.14 0.00 -1.23 -5.12 107.32 102.47 1f6v s GLY 64 Ca 0.00 2.31 -0.05 0.00 0.00 0.00 0.00 44.72 46.98 1f6v s GLY 64 CO 0.00 3.92 0.67 -1.83 0.00 0.00 0.00 173.10 175.87 1f6v s GLU 65 N 2.94 0.52 0.00 2.90 -1.05 -1.26 -4.26 118.70 118.49 1f6v s GLU 65 Ca 0.13 1.01 0.00 0.00 -0.15 0.00 0.00 54.97 55.96 1f6v s GLU 65 Cb -0.07 0.57 0.00 0.00 -0.44 0.00 0.00 34.13 34.20 1f6v s GLU 65 CO -0.18 -0.48 0.00 -2.13 0.95 0.00 0.00 175.26 173.43 1f6v n ARG 66 N 5.42 2.35 -2.76 -4.83 3.00 -1.26 -4.96 116.66 113.63 1f6v n ARG 66 Ca -0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 57.79 1f6v n ARG 66 Cb 0.51 0.00 0.08 0.00 0.00 0.00 0.00 32.46 33.05 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 0.71 -3.06 5.15 3.14 -1.26 -4.70 118.33 118.31 1f6v n VAL 67 Ca 0.00 -2.13 0.00 0.00 -2.96 0.00 0.00 64.34 59.25 1f6v n VAL 67 Cb 0.00 1.13 0.00 0.00 -1.06 0.00 0.00 33.84 33.91 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 -0.93 0.00 -0.39 6.55 2.85 -1.26 -4.90 115.26 117.19 1f6v n ASN 68 Ca -0.03 -0.26 0.30 0.00 -0.11 0.00 0.00 54.58 54.48 1f6v n ASN 68 Cb 0.83 0.00 0.59 0.00 1.24 0.00 0.00 39.78 42.44 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 0.21 0.03 1.20 -0.00 -1.83 0.32 114.58 114.51 1f6v h GLU 69 Ca 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 59.36 59.35 1f6v h GLU 69 Cb 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 28.75 28.70 1f6v h GLU 69 CO 0.00 0.14 -0.02 -0.44 -0.00 0.00 0.00 179.01 178.69 1f6v h ASP 70 N 0.22 -0.04 -0.35 3.06 3.32 -1.93 -3.19 116.42 117.51 1f6v h ASP 70 Ca 0.72 -0.38 0.07 0.00 0.02 0.00 0.00 57.03 57.47 1f6v h ASP 70 Cb 2.09 0.01 -0.07 0.00 0.22 0.00 0.00 39.33 41.58 1f6v h ASP 70 CO -0.37 0.36 -0.08 0.00 -1.72 0.00 0.00 179.24 177.43 1f6v n TYR 71 N -4.92 0.13 0.13 4.55 9.36 0.11 0.12 117.16 126.64 1f6v n TYR 71 Ca -0.08 0.43 -0.15 0.00 3.32 0.00 0.00 57.90 61.42 1f6v n TYR 71 Cb 0.22 -0.71 -0.07 0.00 -0.63 0.00 0.00 39.34 38.14 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 -1.22 -0.44 2.98 3.38 -1.58 0.96 115.31 119.39 1f6v h LEU 72 Ca 0.17 0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.26 1f6v h LEU 72 Cb 0.27 0.45 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 1f6v h LEU 72 CO -0.36 -0.49 0.20 0.03 0.09 0.00 0.00 178.44 177.91 1f6v h ARG 73 N -0.67 0.63 0.00 1.13 3.08 0.75 0.11 114.38 119.41 1f6v h ARG 73 Ca 0.02 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1f6v h ARG 73 Cb 0.68 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1f6v h ARG 73 CO -0.22 0.55 0.00 0.94 -1.07 0.00 0.00 179.97 180.17 1f6v n GLN 74 N -4.65 0.03 -0.07 0.04 -0.06 -0.48 0.13 117.38 112.33 1f6v n GLN 74 Ca 0.01 0.41 -0.04 0.00 -2.00 0.00 0.00 57.00 55.38 1f6v n GLN 74 Cb 0.12 -1.58 -0.01 0.00 -4.06 0.00 0.00 30.24 24.71 1f6v n GLN 74 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1f6v h ALA 75 N 2.22 0.00 -0.66 1.69 0.00 0.33 -3.19 119.26 119.65 1f6v h ALA 75 Ca 0.00 -0.45 -0.17 0.00 0.00 0.00 0.00 54.91 54.29 1f6v h ALA 75 Cb 0.13 0.44 -0.10 0.00 0.00 0.00 0.00 17.79 18.26 1f6v h ALA 75 CO 0.00 0.44 0.22 1.97 0.00 0.00 0.00 179.25 181.87 1f6v n PHE 76 N -4.54 2.22 0.00 0.00 -1.74 -0.12 -4.40 117.46 108.88 1f6v n PHE 76 Ca -0.06 -1.04 0.00 0.00 -0.56 0.00 0.00 57.45 55.78 1f6v n PHE 76 Cb 0.23 -0.63 0.00 0.00 1.52 0.00 0.00 39.48 40.60 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 0.00 0.00 0.13 3.97 5.12 0.35 -4.74 116.66 121.48 1f6v n ARG 77 Ca 0.36 0.00 0.08 0.00 -1.93 0.00 0.00 57.85 56.36 1f6v n ARG 77 Cb 1.28 -0.40 0.42 0.00 -1.16 0.00 0.00 32.46 32.60 1f6v n ARG 77 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 1f6v n GLU 78 N -1.10 0.10 0.00 5.56 -0.00 -0.82 -3.59 120.64 120.79 1f6v n GLU 78 Ca 0.00 0.59 0.00 0.00 -0.00 0.00 0.00 57.16 57.75 1f6v n GLU 78 Cb 0.00 -1.89 0.00 0.00 -0.00 0.00 0.00 31.44 29.55 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 -2.05 0.00 0.00 -1.84 4.32 -1.26 -5.06 117.00 111.11 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 0.08 -0.31 0.00 0.00 -1.62 0.00 0.00 43.42 41.57 1f6v n LEU 79 CO 0.07 -0.35 0.00 -0.90 -1.22 0.00 0.00 177.39 174.99 1f6v n ASP 80 N -2.18 0.00 -0.53 -1.43 5.75 -1.24 -4.99 116.55 111.94 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 -1.80 0.00 -2.12 4.77 -1.26 -4.94 117.00 111.65 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 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 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 0.94 0.00 0.02 -1.43 5.75 -1.26 -4.98 116.55 115.59 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 0.45 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 1f6v n ASP 82 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1f6v n VAL 83 N -0.59 0.00 -0.07 2.12 0.31 -1.26 -4.82 118.33 114.02 1f6v n VAL 83 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.25 1f6v n VAL 83 Cb 0.00 -0.13 -0.06 0.00 -0.91 0.00 0.00 33.84 32.74 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 -1.03 -0.34 4.52 5.19 -1.94 0.64 116.42 123.46 1f6v h ASP 84 Ca 0.00 0.13 0.10 0.00 -0.62 0.00 0.00 57.03 56.64 1f6v h ASP 84 Cb 0.00 0.42 -0.01 0.00 0.18 0.00 0.00 39.33 39.92 1f6v h ASP 84 CO 0.00 -0.23 0.28 0.40 -3.12 0.00 0.00 179.24 176.57 1f6v h ILE 85 N -0.23 0.66 -3.49 0.35 1.08 -1.93 -3.42 117.51 110.52 1f6v h ILE 85 Ca 0.04 0.00 -0.54 0.00 -0.39 0.00 0.00 64.86 63.97 1f6v h ILE 85 Cb 0.34 0.79 0.20 0.00 -3.07 0.00 0.00 36.82 35.08 1f6v h ILE 85 CO -0.32 0.00 -0.37 -0.24 -0.69 0.00 0.00 178.15 176.53 1f6v n SER 86 N -4.16 -1.32 -2.11 1.72 2.88 0.22 -4.85 113.62 106.00 1f6v n SER 86 Ca 0.05 0.44 -0.16 0.00 -1.33 0.00 0.00 58.87 57.88 1f6v n SER 86 Cb 0.45 -1.26 0.24 0.00 -0.75 0.00 0.00 64.21 62.89 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 -3.23 3.08 -3.86 2.46 -1.04 -1.26 -4.73 114.28 105.71 1f6v n THR 87 Ca 0.09 -1.82 -0.31 0.00 -2.04 0.00 0.00 64.05 59.97 1f6v n THR 87 Cb 0.52 -0.42 -0.11 0.00 -1.82 0.00 0.00 70.33 68.50 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 -3.17 4.84 0.00 -4.42 1.43 -1.26 -5.02 118.68 111.08 1f6v s LEU 88 Ca 0.56 -3.53 0.00 0.00 -1.03 0.00 0.00 54.13 50.13 1f6v s LEU 88 Cb 0.46 -1.70 0.00 0.00 0.03 0.00 0.00 46.19 44.98 1f6v s LEU 88 CO 0.12 -0.16 0.00 0.00 0.23 0.00 0.00 176.35 176.54 1f6v n LEU 89 N 2.45 0.00 0.00 1.79 -0.00 -1.26 -5.00 117.00 114.98 1f6v n LEU 89 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.16 1f6v n LEU 89 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.77 1f6v n LEU 89 CO 0.31 0.00 0.00 -1.14 -0.00 0.00 0.00 177.39 176.56 1f6v n ARG 90 N -0.61 -1.19 0.00 1.47 0.63 -1.26 -5.18 116.66 110.53 1f6v n ARG 90 Ca 0.00 0.00 0.11 0.00 -0.92 0.00 0.00 57.85 57.04 1f6v n ARG 90 Cb 0.00 0.00 0.09 0.00 0.45 0.00 0.00 32.46 33.00 1f6v n ARG 90 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39