#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 5.53 -1.08 1.61 1.04 -1.26 -4.83 113.70 114.70 1f6v s SER 2 Ca 0.00 -1.05 -0.03 0.00 0.48 0.00 0.00 55.95 55.35 1f6v s SER 2 Cb 0.00 -2.57 0.29 0.00 0.10 0.00 0.00 66.02 63.84 1f6v s SER 2 CO 0.00 -2.42 1.78 0.54 0.98 0.00 0.00 173.24 174.12 1f6v n ARG 3 N 8.78 4.99 -1.87 4.02 1.74 -1.26 -5.01 116.66 128.04 1f6v n ARG 3 Ca 0.39 -4.47 -0.32 0.00 -0.77 0.00 0.00 57.85 52.68 1f6v n ARG 3 Cb 0.48 -2.52 0.02 0.00 -1.02 0.00 0.00 32.46 29.42 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 -3.34 3.96 -2.15 0.55 -0.00 -1.26 -4.95 121.20 114.00 1f6v s ILE 4 Ca 0.38 0.80 0.22 0.00 -0.00 0.00 0.00 60.65 62.05 1f6v s ILE 4 Cb 0.14 -3.42 0.49 0.00 -0.00 0.00 0.00 42.46 39.67 1f6v s ILE 4 CO -0.04 -0.67 1.43 0.00 -0.00 0.00 0.00 174.94 175.65 1f6v n ALA 5 N -2.45 2.39 -1.00 2.27 0.00 -1.26 -4.79 120.51 115.66 1f6v n ALA 5 Ca 0.08 -1.11 0.00 0.00 0.00 0.00 0.00 53.44 52.41 1f6v n ALA 5 Cb 0.53 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.14 1f6v n ALA 5 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1f6v n LYS 6 N 1.47 0.00 -1.78 0.00 4.76 -1.26 -4.61 118.16 116.73 1f6v n LYS 6 Ca 0.20 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 55.28 1f6v n LYS 6 Cb 0.59 -0.09 0.06 0.00 -1.84 0.00 0.00 35.03 33.76 1f6v n LYS 6 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1f6v s ARG 7 N 0.00 2.61 0.00 1.97 1.81 -1.26 -4.90 118.95 119.18 1f6v s ARG 7 Ca 0.00 2.01 0.00 0.00 -1.72 0.00 0.00 55.73 56.02 1f6v s ARG 7 Cb 0.00 -1.86 0.00 0.00 -0.45 0.00 0.00 34.95 32.64 1f6v s ARG 7 CO 0.00 -1.54 0.00 2.41 -0.68 0.00 0.00 175.30 175.49 1f6v n THR 8 N -1.88 0.00 -2.85 0.02 -1.04 -1.26 -5.07 114.28 102.19 1f6v n THR 8 Ca 0.15 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.96 1f6v n THR 8 Cb 0.48 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 69.02 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 -1.00 4.05 -0.26 2.41 0.00 -1.26 -5.00 121.76 120.70 1f6v s ALA 9 Ca 0.00 -1.37 0.14 0.00 0.00 0.00 0.00 51.96 50.72 1f6v s ALA 9 Cb 0.00 -1.95 0.81 0.00 0.00 0.00 0.00 23.12 21.98 1f6v s ALA 9 CO 0.00 -0.52 1.73 -0.89 0.00 0.00 0.00 175.76 176.08 1f6v n ILE 10 N -2.12 2.72 -1.52 0.00 -0.00 -0.23 -4.76 119.36 113.44 1f6v n ILE 10 Ca 0.06 -1.37 -0.26 0.00 -0.00 0.00 0.00 62.75 61.18 1f6v n ILE 10 Cb 0.59 -0.29 -0.14 0.00 -0.00 0.00 0.00 39.64 39.80 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 0.61 0.29 -4.18 4.38 4.05 -1.24 -1.91 115.26 117.26 1f6v n ASN 11 Ca 0.27 -0.62 -0.35 0.00 0.45 0.00 0.00 54.58 54.33 1f6v n ASN 11 Cb 1.19 -1.05 -0.05 0.00 1.23 0.00 0.00 39.78 41.09 1f6v n ASN 11 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1f6v n LYS 12 N 7.50 -1.06 -0.86 1.20 4.76 -1.26 -4.77 118.16 123.67 1f6v n LYS 12 Ca 0.58 0.14 -0.31 0.00 -2.87 0.00 0.00 58.31 55.85 1f6v n LYS 12 Cb 0.25 -3.42 0.03 0.00 -1.84 0.00 0.00 35.03 30.05 1f6v n LYS 12 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1f6v n THR 13 N -4.69 0.00 -0.36 -0.18 -1.04 -0.80 -3.10 114.28 104.10 1f6v n THR 13 Ca -0.26 -0.41 0.03 0.00 -2.04 0.00 0.00 64.05 61.38 1f6v n THR 13 Cb 0.65 0.00 0.10 0.00 -1.82 0.00 0.00 70.33 69.27 1f6v n THR 13 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1f6v h LYS 14 N -0.86 -0.00 -0.48 -2.82 1.79 -1.94 1.36 116.57 113.61 1f6v h LYS 14 Ca -0.38 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.13 1f6v h LYS 14 Cb 1.12 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.73 1f6v h LYS 14 CO 0.20 -0.00 0.26 0.87 -1.08 0.00 0.00 179.45 179.70 1f6v h LYS 15 N -0.00 0.50 -1.18 3.15 1.57 -2.00 -0.15 116.57 118.46 1f6v h LYS 15 Ca 0.43 -0.03 -0.36 0.00 -1.87 0.00 0.00 60.65 58.82 1f6v h LYS 15 Cb 0.68 -0.11 -0.18 0.00 0.08 0.00 0.00 32.23 32.69 1f6v h LYS 15 CO -1.01 0.33 0.46 0.00 -0.57 0.00 0.00 179.45 178.66 1f6v n ALA 16 N -2.30 4.84 0.04 3.86 0.00 0.41 -4.14 120.51 123.23 1f6v n ALA 16 Ca 0.04 -1.90 -0.02 0.00 0.00 0.00 0.00 53.44 51.55 1f6v n ALA 16 Cb 0.11 -1.36 -0.08 0.00 0.00 0.00 0.00 19.45 18.11 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 1.05 0.00 0.00 0.00 1.82 0.20 -3.06 116.42 116.42 1f6v h ASP 17 Ca 0.38 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 57.02 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 0.80 0.71 -1.04 0.52 -1.61 0.00 0.00 179.24 178.63 1f6v n VAL 18 N -3.04 0.00 0.02 2.25 0.31 -1.26 -4.36 118.33 112.26 1f6v n VAL 18 Ca -0.08 -0.02 -0.14 0.00 -0.01 0.00 0.00 64.34 64.09 1f6v n VAL 18 Cb 0.88 0.35 -0.14 0.00 -0.91 0.00 0.00 33.84 34.02 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 0.15 -0.33 5.55 2.10 -1.75 -3.31 116.57 118.98 1f6v h LYS 19 Ca -0.00 -0.26 -0.04 0.00 -2.00 0.00 0.00 60.65 58.35 1f6v h LYS 19 Cb 0.13 0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 31.54 1f6v h LYS 19 CO 0.00 0.92 0.04 0.00 -2.00 0.00 0.00 179.45 178.40 1f6v h ALA 20 N 0.62 0.44 0.00 0.07 0.00 -1.80 -0.99 119.26 117.60 1f6v h ALA 20 Ca -0.27 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1f6v h ALA 20 Cb 2.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1f6v h ALA 20 CO 0.12 0.16 0.17 -0.89 0.00 0.00 0.00 179.25 178.81 1f6v n ILE 21 N -4.57 0.81 -0.11 0.00 2.08 -1.25 0.89 119.36 117.20 1f6v n ILE 21 Ca -0.02 0.73 -0.20 0.00 0.56 0.00 0.00 62.75 63.82 1f6v n ILE 21 Cb 0.24 -1.73 -0.07 0.00 -0.75 0.00 0.00 39.64 37.32 1f6v n ILE 21 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1f6v n ALA 22 N -1.64 1.01 -0.19 -1.39 0.00 -0.46 -4.25 120.51 113.59 1f6v n ALA 22 Ca -0.01 -0.91 0.07 0.00 0.00 0.00 0.00 53.44 52.58 1f6v n ALA 22 Cb 0.20 0.04 0.28 0.00 0.00 0.00 0.00 19.45 19.97 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 -4.36 4.00 -0.12 0.00 -0.08 -0.70 -4.48 116.55 110.81 1f6v n ASP 23 Ca -0.35 -2.44 -0.23 0.00 -1.51 0.00 0.00 54.79 50.25 1f6v n ASP 23 Cb 0.70 -0.54 -0.09 0.00 2.34 0.00 0.00 41.12 43.52 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 0.72 0.94 -1.71 -1.67 0.00 0.26 -3.32 120.51 115.72 1f6v n ALA 24 Ca 0.20 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1f6v n ALA 24 Cb 0.78 -0.18 0.00 0.00 0.00 0.00 0.00 19.45 20.05 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 -4.37 0.00 -1.85 0.00 8.01 -1.26 -4.59 117.44 113.38 1f6v n TRP 25 Ca -0.39 0.00 -0.22 0.00 -1.31 0.00 0.00 57.50 55.59 1f6v n TRP 25 Cb 0.73 0.00 -0.08 0.00 -2.01 0.00 0.00 31.31 29.95 1f6v n TRP 25 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.69 175.54 1f6v s GLN 26 N 3.14 1.93 -0.05 -0.99 2.00 -1.24 -4.38 119.66 120.07 1f6v s GLN 26 Ca 0.00 -0.63 0.04 0.00 -2.00 0.00 0.00 55.36 52.77 1f6v s GLN 26 Cb 0.00 -5.08 -0.06 0.00 0.80 0.00 0.00 33.01 28.67 1f6v s GLN 26 CO 0.00 -4.52 0.01 1.51 -0.50 0.00 0.00 175.29 171.79 1f6v n ILE 27 N 8.36 0.33 0.00 -2.34 0.00 -1.26 -4.37 119.36 120.08 1f6v n ILE 27 Ca 0.43 -0.20 0.00 0.00 0.00 0.00 0.00 62.75 62.98 1f6v n ILE 27 Cb 0.46 -0.87 0.00 0.00 0.00 0.00 0.00 39.64 39.24 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 -3.63 115.26 122.84 1f6v n ASN 28 Ca -0.08 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.90 1f6v n ASN 28 Cb 0.65 0.04 0.00 0.00 -0.53 0.00 0.00 39.78 39.94 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 0.19 2.88 0.06 8.20 0.00 -1.26 -4.79 105.19 110.47 1f6v n GLY 29 Ca 0.00 -1.07 -0.08 0.00 0.00 0.00 0.00 46.02 44.87 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 0.64 -0.30 1.61 4.07 -1.26 -3.55 120.64 121.85 1f6v n GLU 30 Ca 0.00 0.06 -0.05 0.00 -0.06 0.00 0.00 57.16 57.11 1f6v n GLU 30 Cb 0.00 -1.25 0.07 0.00 -0.06 0.00 0.00 31.44 30.20 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 1.21 0.00 5.31 6.56 -1.90 0.46 116.57 128.20 1f6v h LYS 31 Ca -0.28 -0.20 -0.03 0.00 -1.06 0.00 0.00 60.65 59.08 1f6v h LYS 31 Cb 1.46 -0.21 -0.00 0.00 -0.57 0.00 0.00 32.23 32.91 1f6v h LYS 31 CO -0.03 0.95 -0.14 1.05 -2.06 0.00 0.00 179.45 179.21 1f6v h GLU 32 N 1.18 0.00 -0.50 3.15 -0.00 -1.78 -3.05 114.58 113.59 1f6v h GLU 32 Ca 0.28 0.00 -0.09 0.00 -0.00 0.00 0.00 59.36 59.55 1f6v h GLU 32 Cb 0.17 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 28.90 1f6v h GLU 32 CO -0.03 0.14 -0.06 1.25 -0.00 0.00 0.00 179.01 180.32 1f6v h LEU 33 N 0.00 0.86 0.26 3.06 7.12 -1.01 -2.63 115.31 122.97 1f6v h LEU 33 Ca -0.00 -0.25 -0.01 0.00 0.13 0.00 0.00 57.88 57.75 1f6v h LEU 33 Cb 0.96 -0.23 0.00 0.00 -0.53 0.00 0.00 40.66 40.86 1f6v h LEU 33 CO 0.02 0.96 -0.12 -0.08 -0.13 0.00 0.00 178.44 179.08 1f6v h GLU 34 N 0.80 -0.34 -0.38 1.25 4.81 -1.12 0.17 114.58 119.78 1f6v h GLU 34 Ca 0.14 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.47 1f6v h GLU 34 Cb 0.56 0.08 -0.09 0.00 0.63 0.00 0.00 28.75 29.93 1f6v h GLU 34 CO 0.03 -0.03 -0.34 1.25 -0.73 0.00 0.00 179.01 179.20 1f6v h LEU 35 N -0.98 -1.12 -1.17 1.64 7.12 -1.58 0.49 115.31 119.72 1f6v h LEU 35 Ca -0.04 0.19 -0.09 0.00 0.13 0.00 0.00 57.88 58.08 1f6v h LEU 35 Cb 0.46 0.51 -0.01 0.00 -0.53 0.00 0.00 40.66 41.10 1f6v h LEU 35 CO 0.06 -0.33 -0.41 0.25 -0.13 0.00 0.00 178.44 177.88 1f6v h LEU 36 N -0.27 0.01 -1.77 2.25 7.12 -1.57 0.36 115.31 121.44 1f6v h LEU 36 Ca 0.16 -0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.17 1f6v h LEU 36 Cb 0.55 -0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.67 1f6v h LEU 36 CO -0.53 0.42 0.00 -0.61 -0.13 0.00 0.00 178.44 177.59 1f6v h GLN 37 N 0.01 0.00 -0.16 1.25 4.15 0.30 -1.92 115.11 118.74 1f6v h GLN 37 Ca -0.00 0.00 -0.20 0.00 0.77 0.00 0.00 58.65 59.22 1f6v h GLN 37 Cb 0.73 0.00 -0.37 0.00 0.21 0.00 0.00 27.48 28.05 1f6v h GLN 37 CO 0.05 0.00 -1.02 1.04 -1.93 0.00 0.00 178.83 176.97 1f6v n GLN 38 N -2.48 0.78 0.00 1.69 1.13 0.12 -4.90 117.38 113.72 1f6v n GLN 38 Ca -0.01 -2.64 0.00 0.00 -1.94 0.00 0.00 57.00 52.40 1f6v n GLN 38 Cb 0.07 -0.70 0.00 0.00 0.11 0.00 0.00 30.24 29.72 1f6v n GLN 38 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1f6v n ILE 39 N 0.00 0.00 0.46 5.09 2.08 0.11 -4.73 119.36 122.37 1f6v n ILE 39 Ca 0.08 0.00 0.11 0.00 0.56 0.00 0.00 62.75 63.50 1f6v n ILE 39 Cb 1.00 -0.30 0.44 0.00 -0.75 0.00 0.00 39.64 40.03 1f6v n ILE 39 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1f6v n ALA 40 N -2.17 1.73 0.80 -1.39 0.00 -1.15 -1.63 120.51 116.70 1f6v n ALA 40 Ca 0.00 0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.59 1f6v n ALA 40 Cb 0.00 -1.36 0.08 0.00 0.00 0.00 0.00 19.45 18.17 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 -2.02 0.14 -0.69 0.00 6.02 -1.26 -4.25 117.38 115.31 1f6v n GLN 41 Ca 0.03 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 57.08 1f6v n GLN 41 Cb 0.23 -1.55 0.12 0.00 1.02 0.00 0.00 30.24 30.07 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 0.94 -1.61 -1.09 2.85 -0.64 -5.08 118.16 111.80 1f6v n LYS 42 Ca 0.04 -2.55 -0.29 0.00 -1.05 0.00 0.00 58.31 54.46 1f6v n LYS 42 Cb 0.38 -1.06 0.16 0.00 -0.65 0.00 0.00 35.03 33.86 1f6v n LYS 42 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1f6v s PRO 43 N -1.97 0.68 0.00 -1.58 0.04 -0.91 -1.06 135.00 130.20 1f6v s PRO 43 Ca 0.31 0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.36 1f6v s PRO 43 Cb 0.31 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 33.04 1f6v s PRO 43 CO -0.06 -2.45 0.60 0.41 0.04 0.00 0.00 177.00 175.54 1f6v n GLY 44 N -2.55 0.76 0.00 0.56 0.00 -1.26 -4.70 105.19 98.00 1f6v n GLY 44 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 0.00 0.00 -0.07 4.61 0.00 -1.26 -4.91 120.51 118.88 1f6v n ALA 45 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.64 1f6v n ALA 45 Cb 0.55 0.00 0.64 0.00 0.00 0.00 0.00 19.45 20.64 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 0.11 -0.76 0.00 7.12 -1.90 -1.31 115.31 118.58 1f6v h LEU 46 Ca 0.00 0.01 0.17 0.00 0.13 0.00 0.00 57.88 58.19 1f6v h LEU 46 Cb 0.00 -0.02 -0.13 0.00 -0.53 0.00 0.00 40.66 39.98 1f6v h LEU 46 CO 0.00 0.06 -0.02 -0.09 -0.13 0.00 0.00 178.44 178.26 1f6v h ARG 47 N 0.12 0.08 -0.04 1.25 2.43 0.91 0.87 114.38 120.01 1f6v h ARG 47 Ca 0.31 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.48 1f6v h ARG 47 Cb 1.05 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.57 1f6v h ARG 47 CO -0.04 0.06 -0.07 0.82 -1.51 0.00 0.00 179.97 179.23 1f6v h ILE 48 N 0.09 0.00 0.00 1.20 2.04 -0.79 0.36 117.51 120.41 1f6v h ILE 48 Ca 0.41 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.27 1f6v h ILE 48 Cb 0.72 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 1f6v h ILE 48 CO -0.68 0.00 0.00 0.18 0.00 0.00 0.00 178.15 177.65 1f6v n LEU 49 N -3.00 0.00 0.24 1.44 4.32 -0.96 -2.48 117.00 116.55 1f6v n LEU 49 Ca -0.01 0.32 0.09 0.00 -0.02 0.00 0.00 56.01 56.40 1f6v n LEU 49 Cb 0.05 -0.32 0.58 0.00 -1.62 0.00 0.00 43.42 42.10 1f6v n LEU 49 CO 0.01 -0.13 0.88 -1.13 -1.22 0.00 0.00 177.39 175.81 1f6v h ASN 50 N 0.00 0.00 -1.39 -1.43 -0.00 0.50 0.51 115.58 113.76 1f6v h ASN 50 Ca 0.00 0.00 0.40 0.00 -0.00 0.00 0.00 56.30 56.70 1f6v h ASN 50 Cb 0.20 0.00 -0.06 0.00 -0.00 0.00 0.00 38.32 38.46 1f6v h ASN 50 CO 0.00 0.20 1.09 -0.74 -0.00 0.00 0.00 177.43 177.98 1f6v h HIS 51 N 0.00 0.00 0.00 0.67 2.76 -1.11 -0.36 115.15 117.11 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 0.47 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.43 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 -3.91 0.24 0.10 3.26 7.64 -0.83 -4.53 113.62 115.59 1f6v n SER 52 Ca 0.31 -0.75 0.12 0.00 1.01 0.00 0.00 58.87 59.55 1f6v n SER 52 Cb 1.52 0.10 0.03 0.00 -1.01 0.00 0.00 64.21 64.86 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 -1.81 -3.43 5.85 0.16 -3.27 115.31 112.82 1f6v h LEU 53 Ca 0.00 -0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.75 1f6v h LEU 53 Cb 0.23 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1f6v h LEU 53 CO 0.00 0.02 0.48 -0.09 -0.34 0.00 0.00 178.44 178.51 1f6v h ARG 54 N 0.00 0.00 -0.90 1.25 1.12 -1.48 0.32 114.38 114.70 1f6v h ARG 54 Ca 0.00 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1f6v h ARG 54 Cb 0.95 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 30.87 1f6v h ARG 54 CO 0.00 0.00 0.56 -0.07 -3.11 0.00 0.00 179.97 177.35 1f6v h LEU 55 N 0.00 1.06 -0.27 3.80 -0.00 -1.83 -3.01 115.31 115.06 1f6v h LEU 55 Ca 0.12 -0.06 0.09 0.00 -0.00 0.00 0.00 57.88 58.03 1f6v h LEU 55 Cb 1.08 -0.27 -0.05 0.00 -0.00 0.00 0.00 40.66 41.42 1f6v h LEU 55 CO -0.00 0.80 0.06 0.00 -0.00 0.00 0.00 178.44 179.30 1f6v n ALA 56 N -2.37 0.19 -0.10 1.53 0.00 0.11 0.26 120.51 120.14 1f6v n ALA 56 Ca 0.10 0.29 -0.13 0.00 0.00 0.00 0.00 53.44 53.70 1f6v n ALA 56 Cb 0.04 -0.24 -0.15 0.00 0.00 0.00 0.00 19.45 19.11 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 -3.26 1.46 -1.68 0.00 0.00 -1.16 -3.65 120.51 112.22 1f6v n ALA 57 Ca 0.08 -1.20 -0.28 0.00 0.00 0.00 0.00 53.44 52.04 1f6v n ALA 57 Cb 0.26 -0.22 -0.04 0.00 0.00 0.00 0.00 19.45 19.45 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 -2.51 2.05 -0.10 0.00 0.00 0.74 -4.72 119.30 114.76 1f6v s MET 58 Ca -0.18 0.83 0.16 0.00 0.00 0.00 0.00 55.69 56.50 1f6v s MET 58 Cb 0.07 -4.67 0.62 0.00 0.00 0.00 0.00 34.83 30.85 1f6v s MET 58 CO 0.76 -3.60 1.51 -2.37 0.00 0.00 0.00 175.02 171.31 1f6v n THR 59 N 8.13 1.57 -1.07 10.11 5.66 -1.26 -3.98 114.28 133.44 1f6v n THR 59 Ca 0.38 -1.00 0.04 0.00 -3.05 0.00 0.00 64.05 60.42 1f6v n THR 59 Cb 0.50 0.06 0.06 0.00 -1.55 0.00 0.00 70.33 69.40 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 0.94 1.99 -0.30 1.79 0.00 -1.26 -4.83 120.51 118.84 1f6v n ALA 60 Ca 0.22 -1.64 0.13 0.00 0.00 0.00 0.00 53.44 52.15 1f6v n ALA 60 Cb 0.78 -0.29 0.26 0.00 0.00 0.00 0.00 19.45 20.21 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 -0.72 0.56 -3.81 0.00 -0.00 -1.26 -4.76 115.22 105.23 1f6v n HIS 61 Ca 0.07 1.05 -0.24 0.00 -0.00 0.00 0.00 57.72 58.60 1f6v n HIS 61 Cb 0.56 -1.16 0.01 0.00 -0.00 0.00 0.00 29.99 29.40 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 -1.44 -0.36 0.51 1.57 0.00 -1.26 -4.67 105.19 99.54 1f6v n GLY 62 Ca 0.21 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 -4.30 0.00 -3.27 1.61 3.00 -1.26 -5.07 118.16 108.87 1f6v n LYS 63 Ca -0.28 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 57.91 1f6v n LYS 63 Cb 0.67 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.65 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 -1.41 -0.35 -0.04 3.14 0.00 -1.26 -5.04 107.32 102.35 1f6v s GLY 64 Ca 0.00 -0.75 -0.30 0.00 0.00 0.00 0.00 44.72 43.66 1f6v s GLY 64 CO 0.00 3.00 0.66 -1.83 0.00 0.00 0.00 173.10 174.94 1f6v s GLU 65 N 1.37 1.06 0.00 2.90 1.03 -1.17 -3.77 118.70 120.12 1f6v s GLU 65 Ca 0.19 0.21 0.00 0.00 0.03 0.00 0.00 54.97 55.40 1f6v s GLU 65 Cb -0.10 0.50 0.00 0.00 -0.80 0.00 0.00 34.13 33.73 1f6v s GLU 65 CO -0.05 -0.34 0.00 -2.13 -1.33 0.00 0.00 175.26 171.42 1f6v n ARG 66 N 0.87 0.00 0.00 -4.83 0.63 -1.26 -4.91 116.66 107.16 1f6v n ARG 66 Ca -0.19 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.74 1f6v n ARG 66 Cb 0.57 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.48 1f6v n ARG 66 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67 1f6v n VAL 67 N 0.00 0.00 -3.27 5.15 3.14 -1.26 -4.76 118.33 117.33 1f6v n VAL 67 Ca 0.00 0.00 0.01 0.00 -2.96 0.00 0.00 64.34 61.39 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 -1.07 -0.47 6.55 2.85 -1.26 -2.96 115.26 118.90 1f6v n ASN 68 Ca 0.00 0.06 0.40 0.00 -0.11 0.00 0.00 54.58 54.93 1f6v n ASN 68 Cb 0.00 -0.16 0.67 0.00 1.24 0.00 0.00 39.78 41.52 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 -0.60 -0.03 0.01 1.20 2.13 -1.24 0.10 120.64 122.21 1f6v n GLU 69 Ca 0.00 1.22 -0.13 0.00 0.66 0.00 0.00 57.16 58.91 1f6v n GLU 69 Cb 0.02 -2.41 -0.09 0.00 0.27 0.00 0.00 31.44 29.23 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 -0.02 -0.33 4.31 3.32 -1.91 -3.19 116.42 118.61 1f6v h ASP 70 Ca 0.86 -0.38 0.06 0.00 0.02 0.00 0.00 57.03 57.59 1f6v h ASP 70 Cb 2.80 0.01 -0.06 0.00 0.22 0.00 0.00 39.33 42.30 1f6v h ASP 70 CO -0.44 0.37 -0.10 0.00 -1.72 0.00 0.00 179.24 177.35 1f6v n TYR 71 N -4.91 0.07 0.03 4.55 9.36 0.28 0.10 117.16 126.64 1f6v n TYR 71 Ca -0.08 0.40 -0.15 0.00 3.32 0.00 0.00 57.90 61.39 1f6v n TYR 71 Cb 0.21 -0.66 -0.09 0.00 -0.63 0.00 0.00 39.34 38.17 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 -1.58 -0.33 2.98 3.38 -1.60 0.90 115.31 119.05 1f6v h LEU 72 Ca 0.14 0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 1f6v h LEU 72 Cb 0.22 0.61 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1f6v h LEU 72 CO -0.33 -0.50 0.16 -0.09 0.09 0.00 0.00 178.44 177.77 1f6v h ARG 73 N -0.62 0.47 0.00 1.13 2.43 0.49 0.72 114.38 119.01 1f6v h ARG 73 Ca 0.03 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1f6v h ARG 73 Cb 0.70 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1f6v h ARG 73 CO -0.38 0.44 0.00 0.94 -1.51 0.00 0.00 179.97 179.46 1f6v n GLN 74 N -4.75 0.08 -0.07 0.20 -0.06 -0.57 0.80 117.38 113.01 1f6v n GLN 74 Ca -0.01 0.51 -0.05 0.00 -2.00 0.00 0.00 57.00 55.44 1f6v n GLN 74 Cb 0.11 -1.72 -0.02 0.00 -4.06 0.00 0.00 30.24 24.55 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 2.10 0.02 -0.86 1.69 0.00 0.30 -3.08 119.26 119.43 1f6v h ALA 75 Ca 0.00 -0.46 -0.41 0.00 0.00 0.00 0.00 54.91 54.03 1f6v h ALA 75 Cb 0.08 0.43 -0.25 0.00 0.00 0.00 0.00 17.79 18.05 1f6v h ALA 75 CO 0.00 0.43 0.53 1.97 0.00 0.00 0.00 179.25 182.17 1f6v n PHE 76 N -4.63 2.67 0.00 0.00 -1.74 -0.20 -4.45 117.46 109.11 1f6v n PHE 76 Ca -0.08 -1.59 0.00 0.00 -0.56 0.00 0.00 57.45 55.22 1f6v n PHE 76 Cb 0.25 -0.83 0.00 0.00 1.52 0.00 0.00 39.48 40.41 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 -0.81 0.00 0.30 3.97 1.74 0.24 -4.73 116.66 117.37 1f6v n ARG 77 Ca 0.51 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.72 1f6v n ARG 77 Cb 1.51 -0.17 0.65 0.00 -1.02 0.00 0.00 32.46 33.44 1f6v n ARG 77 CO 0.00 0.00 0.00 1.05 -1.52 0.00 0.00 177.63 177.16 1f6v h GLU 78 N 0.00 0.00 0.00 5.56 -0.00 -1.36 -3.11 114.58 115.67 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 -2.89 0.03 0.00 3.06 4.32 -1.26 -5.06 117.00 115.20 1f6v n LEU 79 Ca -0.00 0.04 0.00 0.00 -0.02 0.00 0.00 56.01 56.02 1f6v n LEU 79 Cb 0.54 -0.45 0.00 0.00 -1.62 0.00 0.00 43.42 41.89 1f6v n LEU 79 CO 0.12 -0.45 0.00 -0.90 -1.22 0.00 0.00 177.39 174.95 1f6v n ASP 80 N -2.35 0.00 -1.09 -1.43 5.68 -1.18 -4.98 116.55 111.21 1f6v n ASP 80 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1f6v n ASP 80 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1f6v n ASP 80 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1f6v n LEU 81 N 0.00 -1.47 0.00 -2.12 4.77 -1.26 -4.92 117.00 112.00 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 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 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 -1.09 0.00 0.00 -1.43 5.68 -1.26 -4.99 116.55 113.46 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 0.37 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.35 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 -0.38 0.00 -0.02 2.12 0.24 -1.26 -4.84 118.33 114.18 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 0.56 -0.18 -1.34 5.19 -1.94 -1.77 116.42 116.94 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 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.36 1f6v h ASP 84 CO 0.00 0.71 0.00 2.30 -3.12 0.00 0.00 179.24 179.13 1f6v n ILE 85 N -4.19 0.23 0.00 0.35 -0.00 -1.26 -4.86 119.36 109.63 1f6v n ILE 85 Ca 0.01 -0.37 0.00 0.00 -0.00 0.00 0.00 62.75 62.38 1f6v n ILE 85 Cb 0.33 0.41 0.00 0.00 -0.00 0.00 0.00 39.64 40.38 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 0.40 0.00 -0.09 7.28 3.41 -0.67 -4.80 113.62 119.15 1f6v n SER 86 Ca 0.16 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.68 1f6v n SER 86 Cb 0.35 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.14 1f6v n SER 86 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1f6v n THR 87 N -0.08 1.29 -1.72 6.66 5.66 -1.26 -4.89 114.28 119.95 1f6v n THR 87 Ca 0.00 -0.82 -0.42 0.00 -3.05 0.00 0.00 64.05 59.76 1f6v n THR 87 Cb 0.00 -0.46 -0.03 0.00 -1.55 0.00 0.00 70.33 68.29 1f6v n THR 87 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1f6v s LEU 88 N -5.40 4.03 0.00 1.09 1.02 -1.26 -4.90 118.68 113.25 1f6v s LEU 88 Ca -0.10 2.26 0.00 0.00 0.02 0.00 0.00 54.13 56.31 1f6v s LEU 88 Cb 0.06 -3.52 0.00 0.00 0.02 0.00 0.00 46.19 42.75 1f6v s LEU 88 CO 0.80 -1.38 0.00 -0.11 0.02 0.00 0.00 176.35 175.68 1f6v n LEU 89 N 9.05 0.00 0.00 1.79 7.94 -1.26 -4.83 117.00 129.69 1f6v n LEU 89 Ca 0.23 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.13 1f6v n LEU 89 Cb 0.43 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.38 1f6v n LEU 89 CO 0.67 0.00 0.00 -1.14 -1.11 0.00 0.00 177.39 175.81 1f6v n ARG 90 N -0.15 0.00 0.00 1.96 0.63 -1.26 -5.23 116.66 112.62 1f6v n ARG 90 Ca 0.00 0.00 0.07 0.00 -0.92 0.00 0.00 57.85 57.00 1f6v n ARG 90 Cb 0.00 0.00 0.40 0.00 0.45 0.00 0.00 32.46 33.31 1f6v n ARG 90 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39