#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 -0.97 -0.29 1.61 0.01 -1.26 -5.00 113.70 107.81 1f6v s SER 2 Ca 0.00 -0.28 0.02 0.00 1.31 0.00 0.00 55.95 56.99 1f6v s SER 2 Cb 0.00 1.71 0.36 0.00 0.21 0.00 0.00 66.02 68.30 1f6v s SER 2 CO 0.00 -0.28 1.63 0.54 0.41 0.00 0.00 173.24 175.55 1f6v n ARG 3 N 5.10 1.77 -4.17 12.44 5.12 -1.26 -4.90 116.66 130.76 1f6v n ARG 3 Ca 0.06 -1.76 -0.28 0.00 -1.93 0.00 0.00 57.85 53.93 1f6v n ARG 3 Cb 0.53 -1.69 -0.08 0.00 -1.16 0.00 0.00 32.46 30.06 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 -2.09 3.81 0.31 0.55 -4.36 -1.26 -5.07 121.20 113.09 1f6v s ILE 4 Ca 0.34 -1.23 -0.30 0.00 -0.26 0.00 0.00 60.65 59.20 1f6v s ILE 4 Cb 0.28 -2.86 -0.12 0.00 1.25 0.00 0.00 42.46 41.01 1f6v s ILE 4 CO 0.05 0.00 1.58 0.00 0.24 0.00 0.00 174.94 176.81 1f6v n ALA 5 N 0.23 2.53 -2.55 2.27 0.00 -1.26 -4.95 120.51 116.79 1f6v n ALA 5 Ca -0.11 0.37 -0.42 0.00 0.00 0.00 0.00 53.44 53.29 1f6v n ALA 5 Cb 0.54 -2.46 -0.10 0.00 0.00 0.00 0.00 19.45 17.42 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 -0.75 3.16 0.62 0.00 2.20 -1.26 -5.07 119.74 118.64 1f6v s LYS 6 Ca 0.62 -0.87 -0.15 0.00 -0.36 0.00 0.00 55.97 55.21 1f6v s LYS 6 Cb -0.49 -3.87 -0.03 0.00 -1.51 0.00 0.00 37.83 31.93 1f6v s LYS 6 CO 0.51 -0.62 1.06 -0.98 -0.36 0.00 0.00 175.35 174.96 1f6v s ARG 7 N 1.68 3.22 -0.03 4.03 1.70 -1.26 -5.01 118.95 123.27 1f6v s ARG 7 Ca 0.05 1.15 -0.06 0.00 -0.47 0.00 0.00 55.73 56.41 1f6v s ARG 7 Cb -0.18 -2.02 -0.02 0.00 -0.57 0.00 0.00 34.95 32.16 1f6v s ARG 7 CO 0.10 -0.89 -0.11 0.25 -1.08 0.00 0.00 175.30 173.57 1f6v n THR 8 N -2.29 0.77 -2.53 4.99 -2.24 -1.26 -5.07 114.28 106.65 1f6v n THR 8 Ca 0.08 0.27 0.00 0.00 -2.27 0.00 0.00 64.05 62.13 1f6v n THR 8 Cb 0.53 -1.69 0.00 0.00 -2.10 0.00 0.00 70.33 67.07 1f6v n THR 8 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1f6v n ALA 9 N -3.35 0.00 -0.06 6.98 0.00 -1.25 -5.02 120.51 117.80 1f6v n ALA 9 Ca -0.04 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.35 1f6v n ALA 9 Cb 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.60 1f6v n ALA 9 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1f6v n ILE 10 N -0.80 1.21 -2.64 0.00 -0.00 0.28 -4.78 119.36 112.63 1f6v n ILE 10 Ca 0.00 0.25 -0.03 0.00 -0.00 0.00 0.00 62.75 62.97 1f6v n ILE 10 Cb 0.00 -2.25 -0.03 0.00 -0.00 0.00 0.00 39.64 37.36 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 -4.25 -3.64 -3.76 4.38 4.05 -0.41 -4.13 115.26 107.50 1f6v n ASN 11 Ca -0.07 1.38 -0.26 0.00 0.45 0.00 0.00 54.58 56.08 1f6v n ASN 11 Cb 0.26 -5.30 0.00 0.00 1.23 0.00 0.00 39.78 35.98 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 1.27 -1.22 -0.98 1.20 5.02 -1.26 -4.70 118.16 117.48 1f6v n LYS 12 Ca -0.24 0.56 -0.31 0.00 -2.02 0.00 0.00 58.31 56.30 1f6v n LYS 12 Cb 0.38 -2.05 0.01 0.00 -0.02 0.00 0.00 35.03 33.35 1f6v n LYS 12 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1f6v n THR 13 N -2.86 0.00 -0.32 -0.18 -2.24 -1.26 -3.28 114.28 104.14 1f6v n THR 13 Ca -0.27 -0.40 0.20 0.00 -2.27 0.00 0.00 64.05 61.31 1f6v n THR 13 Cb 0.62 0.00 0.40 0.00 -2.10 0.00 0.00 70.33 69.25 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 -0.10 0.19 -0.28 -0.78 1.57 -1.89 1.60 116.57 116.88 1f6v h LYS 14 Ca -0.33 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.44 1f6v h LYS 14 Cb 1.15 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 1f6v h LYS 14 CO 0.32 0.12 0.17 -0.22 -0.57 0.00 0.00 179.45 179.28 1f6v h LYS 15 N 0.19 0.38 -0.74 3.15 3.64 -1.99 -1.26 116.57 119.94 1f6v h LYS 15 Ca 0.67 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 60.02 1f6v h LYS 15 Cb 1.51 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.25 1f6v h LYS 15 CO -0.69 0.29 0.00 0.00 -2.27 0.00 0.00 179.45 176.78 1f6v n ALA 16 N -2.19 3.35 0.16 5.00 0.00 0.36 -4.09 120.51 123.09 1f6v n ALA 16 Ca -0.02 -1.17 0.03 0.00 0.00 0.00 0.00 53.44 52.28 1f6v n ALA 16 Cb 0.05 -1.08 0.19 0.00 0.00 0.00 0.00 19.45 18.61 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 2.44 0.00 0.00 0.00 3.58 0.30 -0.45 116.42 122.29 1f6v h ASP 17 Ca 0.00 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 1f6v h ASP 17 Cb 1.40 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.44 1f6v h ASP 17 CO 0.30 0.51 -1.47 0.52 -2.88 0.00 0.00 179.24 176.22 1f6v n VAL 18 N -3.48 0.16 0.01 2.25 0.31 -1.26 -4.15 118.33 112.19 1f6v n VAL 18 Ca 0.00 -0.25 -0.05 0.00 -0.01 0.00 0.00 64.34 64.02 1f6v n VAL 18 Cb 0.62 -0.01 -0.11 0.00 -0.91 0.00 0.00 33.84 33.44 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 0.00 -0.20 5.55 5.09 -1.72 -3.33 116.57 121.96 1f6v h LYS 19 Ca -0.06 0.00 -0.09 0.00 0.09 0.00 0.00 60.65 60.59 1f6v h LYS 19 Cb 0.73 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.06 1f6v h LYS 19 CO 0.00 0.51 -0.22 0.00 -2.09 0.00 0.00 179.45 177.65 1f6v h ALA 20 N 1.14 0.30 -0.33 0.07 0.00 -1.31 -2.18 119.26 116.95 1f6v h ALA 20 Ca -0.20 -0.37 0.10 0.00 0.00 0.00 0.00 54.91 54.44 1f6v h ALA 20 Cb 1.83 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 1f6v h ALA 20 CO 0.08 0.25 0.66 0.82 0.00 0.00 0.00 179.25 181.06 1f6v h ILE 21 N 0.17 0.12 0.00 0.00 5.03 -1.72 0.89 117.51 122.00 1f6v h ILE 21 Ca 0.03 0.00 -0.10 0.00 -0.12 0.00 0.00 64.86 64.67 1f6v h ILE 21 Cb 0.78 0.41 -0.02 0.00 -3.03 0.00 0.00 36.82 34.96 1f6v h ILE 21 CO 0.05 0.00 -0.98 0.00 -0.68 0.00 0.00 178.15 176.54 1f6v n ALA 22 N -2.03 0.68 -0.29 1.87 0.00 -0.86 -4.23 120.51 115.66 1f6v n ALA 22 Ca 0.06 -0.57 0.05 0.00 0.00 0.00 0.00 53.44 52.98 1f6v n ALA 22 Cb 0.79 -0.11 0.28 0.00 0.00 0.00 0.00 19.45 20.41 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 -4.51 4.24 -0.12 0.00 -0.08 -0.90 -4.43 116.55 110.74 1f6v n ASP 23 Ca -0.19 -2.61 -0.26 0.00 -1.51 0.00 0.00 54.79 50.22 1f6v n ASP 23 Cb 0.47 -0.61 -0.11 0.00 2.34 0.00 0.00 41.12 43.21 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 0.48 1.01 -1.82 -1.67 0.00 0.30 -3.57 120.51 115.24 1f6v n ALA 24 Ca 0.19 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.82 1f6v n ALA 24 Cb 0.89 -0.19 0.00 0.00 0.00 0.00 0.00 19.45 20.14 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 -4.32 0.00 -1.95 0.00 8.01 -1.26 -4.64 117.44 113.27 1f6v n TRP 25 Ca -0.44 0.00 -0.25 0.00 -1.31 0.00 0.00 57.50 55.50 1f6v n TRP 25 Cb 0.80 0.00 -0.07 0.00 -2.01 0.00 0.00 31.31 30.03 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 3.66 2.19 -0.04 -0.99 2.00 -1.23 -4.38 119.66 120.88 1f6v s GLN 26 Ca 0.00 -0.82 0.05 0.00 -2.00 0.00 0.00 55.36 52.59 1f6v s GLN 26 Cb 0.00 -5.14 -0.07 0.00 0.80 0.00 0.00 33.01 28.60 1f6v s GLN 26 CO 0.00 -4.23 0.05 1.51 -0.50 0.00 0.00 175.29 172.12 1f6v n ILE 27 N 8.11 0.25 0.00 -2.34 0.00 -1.26 -4.56 119.36 119.55 1f6v n ILE 27 Ca 0.44 -0.19 0.00 0.00 0.00 0.00 0.00 62.75 63.00 1f6v n ILE 27 Cb 0.46 -0.51 0.00 0.00 0.00 0.00 0.00 39.64 39.60 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 -2.05 0.00 0.00 9.51 5.15 -1.26 -4.02 115.26 122.59 1f6v n ASN 28 Ca -0.06 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.92 1f6v n ASN 28 Cb 0.52 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.77 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 -0.53 2.58 0.05 8.20 0.00 -1.26 -4.76 105.19 109.46 1f6v n GLY 29 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.28 2.18 -0.01 1.61 4.07 -1.26 -4.18 120.64 122.76 1f6v n GLU 30 Ca 0.00 -0.01 -0.11 0.00 -0.06 0.00 0.00 57.16 56.97 1f6v n GLU 30 Cb 0.00 -1.26 -0.14 0.00 -0.06 0.00 0.00 31.44 29.98 1f6v n GLU 30 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1f6v n LYS 31 N -2.34 0.66 0.05 5.31 4.01 -1.26 -3.93 118.16 120.66 1f6v n LYS 31 Ca -0.15 0.29 -0.07 0.00 -0.51 0.00 0.00 58.31 57.87 1f6v n LYS 31 Cb 0.79 -1.78 0.10 0.00 -0.51 0.00 0.00 35.03 33.63 1f6v n LYS 31 CO 0.00 0.00 0.00 1.05 -1.11 0.00 0.00 177.40 177.34 1f6v h GLU 32 N 0.02 0.38 -0.49 1.97 -0.00 -1.80 -2.73 114.58 111.94 1f6v h GLU 32 Ca -0.31 -0.25 0.05 0.00 -0.00 0.00 0.00 59.36 58.85 1f6v h GLU 32 Cb 2.02 0.03 -0.03 0.00 -0.00 0.00 0.00 28.75 30.77 1f6v h GLU 32 CO 0.08 0.84 0.33 1.37 -0.00 0.00 0.00 179.01 181.63 1f6v h LEU 33 N 0.29 0.41 0.55 3.06 8.10 -1.73 -2.67 115.31 123.33 1f6v h LEU 33 Ca 0.00 -0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.96 1f6v h LEU 33 Cb 1.07 -0.09 0.01 0.00 -0.44 0.00 0.00 40.66 41.21 1f6v h LEU 33 CO 0.10 0.28 -0.27 -0.08 -4.11 0.00 0.00 178.44 174.36 1f6v h GLU 34 N 0.48 -0.72 -0.39 0.17 4.81 -1.60 0.26 114.58 117.59 1f6v h GLU 34 Ca 0.21 0.05 0.08 0.00 -0.13 0.00 0.00 59.36 59.56 1f6v h GLU 34 Cb 0.22 0.16 -0.09 0.00 0.63 0.00 0.00 28.75 29.67 1f6v h GLU 34 CO -0.05 -0.41 -0.36 1.25 -0.73 0.00 0.00 179.01 178.71 1f6v h LEU 35 N -1.02 -1.20 -1.79 1.64 7.12 -1.47 0.64 115.31 119.24 1f6v h LEU 35 Ca -0.08 0.20 -0.03 0.00 0.13 0.00 0.00 57.88 58.10 1f6v h LEU 35 Cb 0.64 0.55 -0.00 0.00 -0.53 0.00 0.00 40.66 41.31 1f6v h LEU 35 CO 0.12 -0.34 -0.14 0.25 -0.13 0.00 0.00 178.44 178.21 1f6v h LEU 36 N -0.28 0.00 -1.62 2.25 7.12 -1.51 0.45 115.31 121.71 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 0.56 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.69 1f6v h LEU 36 CO -0.55 0.14 0.15 -0.61 -0.13 0.00 0.00 178.44 177.44 1f6v h GLN 37 N 0.00 0.00 0.00 1.25 4.15 0.40 -1.76 115.11 119.15 1f6v h GLN 37 Ca -0.00 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 1f6v h GLN 37 Cb 0.40 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.07 1f6v h GLN 37 CO 0.02 0.00 -0.47 0.94 -1.93 0.00 0.00 178.83 177.39 1f6v n GLN 38 N -2.44 0.00 0.00 1.69 7.27 -0.45 -4.91 117.38 118.54 1f6v n GLN 38 Ca -0.02 -0.93 0.00 0.00 0.07 0.00 0.00 57.00 56.12 1f6v n GLN 38 Cb 0.19 -0.40 0.00 0.00 2.41 0.00 0.00 30.24 32.44 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 0.03 0.00 1.22 1.69 2.08 0.02 -4.36 119.36 120.04 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 0.70 -0.69 0.67 0.00 -0.75 0.00 0.00 39.64 39.58 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 -2.10 2.35 0.48 -1.39 0.00 -1.16 -1.27 120.51 117.42 1f6v n ALA 40 Ca 0.00 -0.12 0.08 0.00 0.00 0.00 0.00 53.44 53.40 1f6v n ALA 40 Cb 0.45 -1.45 -0.11 0.00 0.00 0.00 0.00 19.45 18.34 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 -1.34 1.09 -2.00 0.00 6.02 -1.26 -4.46 117.38 115.43 1f6v n GLN 41 Ca 0.11 -0.06 -0.02 0.00 -0.01 0.00 0.00 57.00 57.02 1f6v n GLN 41 Cb 0.25 -1.34 0.06 0.00 1.02 0.00 0.00 30.24 30.23 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 -1.67 1.56 0.00 -1.09 -0.00 -1.06 -4.93 118.16 110.97 1f6v n LYS 42 Ca 0.01 -3.17 0.00 0.00 -0.00 0.00 0.00 58.31 55.15 1f6v n LYS 42 Cb 0.34 -1.27 0.00 0.00 -0.00 0.00 0.00 35.03 34.09 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 -3.08 -1.58 -0.04 -0.40 -0.56 135.00 128.97 1f6v n PRO 43 Ca 0.15 0.33 -0.20 0.00 -0.04 0.00 0.00 63.50 63.74 1f6v n PRO 43 Cb 0.92 -0.97 -0.00 0.00 -0.04 0.00 0.00 33.50 33.40 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 1.29 -0.49 0.00 0.55 0.00 -1.26 -2.34 105.19 102.94 1f6v n GLY 44 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.16 0.00 -0.57 4.61 0.00 -1.26 -3.97 120.51 116.17 1f6v n ALA 45 Ca -0.06 0.00 0.45 0.00 0.00 0.00 0.00 53.44 53.84 1f6v n ALA 45 Cb 0.56 0.00 0.75 0.00 0.00 0.00 0.00 19.45 20.76 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 -0.35 0.00 7.12 -1.86 0.22 115.31 120.55 1f6v h LEU 46 Ca 0.00 0.07 0.08 0.00 0.13 0.00 0.00 57.88 58.16 1f6v h LEU 46 Cb 0.00 0.07 -0.08 0.00 -0.53 0.00 0.00 40.66 40.12 1f6v h LEU 46 CO 0.00 -0.11 -0.26 -0.09 -0.13 0.00 0.00 178.44 177.85 1f6v h ARG 47 N 0.02 -0.21 -0.03 1.25 1.12 -1.50 1.58 114.38 116.61 1f6v h ARG 47 Ca 0.88 0.01 0.01 0.00 -1.11 0.00 0.00 59.98 59.77 1f6v h ARG 47 Cb 3.19 0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 33.19 1f6v h ARG 47 CO -0.22 -0.14 -0.08 0.82 -3.11 0.00 0.00 179.97 177.23 1f6v h ILE 48 N -0.22 0.00 0.00 1.20 2.04 -0.16 0.30 117.51 120.67 1f6v h ILE 48 Ca 0.17 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.03 1f6v h ILE 48 Cb 0.49 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 1f6v h ILE 48 CO -0.47 0.00 0.00 0.18 0.00 0.00 0.00 178.15 177.86 1f6v n LEU 49 N -3.04 0.00 0.22 1.44 4.32 -1.10 -2.27 117.00 116.56 1f6v n LEU 49 Ca -0.01 0.34 0.06 0.00 -0.02 0.00 0.00 56.01 56.38 1f6v n LEU 49 Cb 0.06 -0.34 0.50 0.00 -1.62 0.00 0.00 43.42 42.02 1f6v n LEU 49 CO 0.01 -0.17 0.86 -1.13 -1.22 0.00 0.00 177.39 175.74 1f6v h ASN 50 N 0.00 0.00 -1.75 -1.43 -0.00 0.61 0.56 115.58 113.58 1f6v h ASN 50 Ca 0.00 0.00 0.51 0.00 -0.00 0.00 0.00 56.30 56.81 1f6v h ASN 50 Cb 0.17 0.00 -0.07 0.00 -0.00 0.00 0.00 38.32 38.42 1f6v h ASN 50 CO 0.00 0.23 1.28 -0.74 -0.00 0.00 0.00 177.43 178.19 1f6v h HIS 51 N 0.00 0.00 0.00 0.67 2.76 -1.12 0.35 115.15 117.81 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 0.43 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.39 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 -3.97 0.25 0.06 3.26 7.64 -0.74 -4.60 113.62 115.52 1f6v n SER 52 Ca 0.39 -0.78 0.12 0.00 1.01 0.00 0.00 58.87 59.61 1f6v n SER 52 Cb 1.81 0.09 0.17 0.00 -1.01 0.00 0.00 64.21 65.27 1f6v n SER 52 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1f6v n LEU 53 N -0.09 0.70 0.16 -3.43 4.32 0.19 -3.44 117.00 115.42 1f6v n LEU 53 Ca 0.00 0.24 0.19 0.00 -0.02 0.00 0.00 56.01 56.41 1f6v n LEU 53 Cb 0.12 -0.18 0.78 0.00 -1.62 0.00 0.00 43.42 42.52 1f6v n LEU 53 CO 0.00 -0.06 1.16 -0.09 -1.22 0.00 0.00 177.39 177.19 1f6v h ARG 54 N 0.00 0.00 -0.90 3.23 1.12 -1.49 0.39 114.38 116.73 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 0.75 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 30.66 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 1.07 -0.66 3.80 -0.00 -1.84 -2.70 115.31 115.00 1f6v h LEU 55 Ca 0.14 -0.05 0.24 0.00 -0.00 0.00 0.00 57.88 58.20 1f6v h LEU 55 Cb 0.89 -0.27 -0.08 0.00 -0.00 0.00 0.00 40.66 41.20 1f6v h LEU 55 CO -0.00 0.81 0.41 0.00 -0.00 0.00 0.00 178.44 179.66 1f6v n ALA 56 N -2.40 0.66 -0.11 1.53 0.00 0.14 0.26 120.51 120.58 1f6v n ALA 56 Ca 0.10 0.47 -0.13 0.00 0.00 0.00 0.00 53.44 53.88 1f6v n ALA 56 Cb 0.05 -0.54 -0.14 0.00 0.00 0.00 0.00 19.45 18.82 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 -2.58 1.49 -1.79 0.00 0.00 -1.03 -3.58 120.51 113.02 1f6v n ALA 57 Ca 0.21 -1.19 -0.20 0.00 0.00 0.00 0.00 53.44 52.26 1f6v n ALA 57 Cb 0.77 -0.12 -0.07 0.00 0.00 0.00 0.00 19.45 20.02 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 -2.49 1.93 -0.08 0.00 0.00 0.73 -4.68 119.30 114.70 1f6v s MET 58 Ca -0.21 -0.14 0.08 0.00 0.00 0.00 0.00 55.69 55.42 1f6v s MET 58 Cb 0.07 -4.97 0.37 0.00 0.00 0.00 0.00 34.83 30.31 1f6v s MET 58 CO 0.70 -4.27 1.14 -2.37 0.00 0.00 0.00 175.02 170.23 1f6v n THR 59 N 8.43 1.09 -1.68 10.11 5.66 -1.26 -3.65 114.28 132.98 1f6v n THR 59 Ca 0.44 -0.62 0.04 0.00 -3.05 0.00 0.00 64.05 60.86 1f6v n THR 59 Cb 0.45 -0.22 0.06 0.00 -1.55 0.00 0.00 70.33 69.07 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 0.37 2.18 -0.29 1.79 0.00 -1.26 -4.87 120.51 118.43 1f6v n ALA 60 Ca 0.13 -1.75 0.11 0.00 0.00 0.00 0.00 53.44 51.93 1f6v n ALA 60 Cb 0.59 -0.47 0.22 0.00 0.00 0.00 0.00 19.45 19.80 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 -0.52 0.48 -3.33 0.00 -0.00 -1.24 -4.77 115.22 105.83 1f6v n HIS 61 Ca 0.07 0.99 -0.16 0.00 -0.00 0.00 0.00 57.72 58.61 1f6v n HIS 61 Cb 0.71 -1.09 0.08 0.00 -0.00 0.00 0.00 29.99 29.69 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 -1.43 -0.31 0.00 1.57 0.00 -1.26 -4.72 105.19 99.04 1f6v n GLY 62 Ca 0.18 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -3.95 0.00 -2.85 1.61 0.00 -1.26 -5.04 118.16 106.67 1f6v n LYS 63 Ca -0.24 0.00 -0.11 0.00 0.00 0.00 0.00 58.31 57.96 1f6v n LYS 63 Cb 0.65 0.00 0.02 0.00 0.00 0.00 0.00 35.03 35.69 1f6v n LYS 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1f6v n GLY 64 N -0.51 0.51 2.87 3.14 0.00 -1.26 -5.08 105.19 104.87 1f6v n GLY 64 Ca 0.00 -0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 1f6v n GLY 64 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1f6v s GLU 65 N 0.37 0.31 0.00 1.61 4.04 -1.25 -3.50 118.70 120.28 1f6v s GLU 65 Ca 0.32 0.45 0.00 0.00 0.04 0.00 0.00 54.97 55.78 1f6v s GLU 65 Cb 0.18 -0.68 0.00 0.00 0.02 0.00 0.00 34.13 33.65 1f6v s GLU 65 CO -0.20 -0.64 0.00 0.54 -1.84 0.00 0.00 175.26 173.12 1f6v n ARG 66 N 5.35 0.00 0.00 -4.83 5.12 -1.26 -4.97 116.66 116.07 1f6v n ARG 66 Ca -0.04 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.88 1f6v n ARG 66 Cb 0.50 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.80 1f6v n ARG 66 CO 0.00 0.00 0.00 1.55 -1.93 0.00 0.00 177.63 177.25 1f6v n VAL 67 N 0.00 0.00 -3.73 1.55 3.14 -1.26 -4.87 118.33 113.16 1f6v n VAL 67 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1f6v n VAL 67 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1f6v n VAL 67 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1f6v n ASN 68 N 0.00 0.00 -0.36 6.55 4.13 -1.26 -4.86 115.26 119.46 1f6v n ASN 68 Ca 0.00 0.00 0.28 0.00 1.68 0.00 0.00 54.58 56.54 1f6v n ASN 68 Cb 0.00 0.00 0.54 0.00 -1.54 0.00 0.00 39.78 38.78 1f6v n ASN 68 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 1f6v h GLU 69 N 0.00 0.22 0.10 3.52 5.08 -1.81 0.33 114.58 122.01 1f6v h GLU 69 Ca 0.00 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1f6v h GLU 69 Cb 0.00 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1f6v h GLU 69 CO 0.00 0.15 -0.05 -0.44 -1.00 0.00 0.00 179.01 177.67 1f6v h ASP 70 N 0.23 -0.11 -0.34 1.42 3.32 -1.92 -3.19 116.42 115.83 1f6v h ASP 70 Ca 0.76 -0.26 0.06 0.00 0.02 0.00 0.00 57.03 57.61 1f6v h ASP 70 Cb 1.96 0.03 -0.06 0.00 0.22 0.00 0.00 39.33 41.48 1f6v h ASP 70 CO -0.56 0.21 -0.13 0.00 -1.72 0.00 0.00 179.24 177.04 1f6v n TYR 71 N -5.01 0.03 0.06 4.55 9.36 0.12 0.13 117.16 126.40 1f6v n TYR 71 Ca -0.08 0.42 -0.12 0.00 3.32 0.00 0.00 57.90 61.44 1f6v n TYR 71 Cb 0.20 -0.64 -0.05 0.00 -0.63 0.00 0.00 39.34 38.22 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 -0.93 -0.29 2.98 3.38 -1.57 1.05 115.31 119.92 1f6v h LEU 72 Ca 0.13 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1f6v h LEU 72 Cb 0.21 0.37 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1f6v h LEU 72 CO -0.34 -0.38 0.00 -1.14 0.09 0.00 0.00 178.44 176.67 1f6v n ARG 73 N -5.41 0.12 -0.12 1.13 0.00 0.34 -1.18 116.66 111.54 1f6v n ARG 73 Ca -0.05 0.29 0.12 0.00 -0.00 0.00 0.00 57.85 58.21 1f6v n ARG 73 Cb 0.32 -1.70 0.22 0.00 0.00 0.00 0.00 32.46 31.30 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 -1.93 2.33 -0.07 -0.14 -0.06 0.58 -3.09 117.38 115.00 1f6v n GLN 74 Ca 0.04 -1.99 -0.13 0.00 -2.00 0.00 0.00 57.00 52.92 1f6v n GLN 74 Cb 0.26 -1.49 -0.04 0.00 -4.06 0.00 0.00 30.24 24.91 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 1.25 1.72 -0.89 1.69 0.00 0.33 -3.75 120.51 120.85 1f6v n ALA 75 Ca 0.18 -0.64 -0.16 0.00 0.00 0.00 0.00 53.44 52.82 1f6v n ALA 75 Cb 0.56 0.19 0.19 0.00 0.00 0.00 0.00 19.45 20.39 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 -3.97 2.54 0.00 0.00 -1.74 -0.59 -4.35 117.46 109.35 1f6v n PHE 76 Ca -0.23 -1.50 0.00 0.00 -0.56 0.00 0.00 57.45 55.16 1f6v n PHE 76 Cb 0.56 -0.79 0.00 0.00 1.52 0.00 0.00 39.48 40.76 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 -0.69 0.00 0.22 3.97 0.00 -1.19 -4.72 116.66 114.26 1f6v n ARG 77 Ca 0.47 0.00 0.12 0.00 -0.00 0.00 0.00 57.85 58.45 1f6v n ARG 77 Cb 1.45 -0.22 0.67 0.00 0.00 0.00 0.00 32.46 34.36 1f6v n ARG 77 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.63 178.68 1f6v h GLU 78 N 0.00 0.00 0.00 -0.14 -0.00 -1.63 -3.19 114.58 109.62 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 -0.05 1.28 -0.00 0.00 0.00 179.01 180.24 1f6v n LEU 79 N -2.45 0.09 0.00 3.06 4.32 -1.26 -5.06 117.00 115.70 1f6v n LEU 79 Ca -0.02 0.02 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1f6v n LEU 79 Cb 0.19 -0.50 0.00 0.00 -1.62 0.00 0.00 43.42 41.49 1f6v n LEU 79 CO 0.11 -0.49 0.00 -0.90 -1.22 0.00 0.00 177.39 174.89 1f6v n ASP 80 N -2.59 0.00 -1.19 -1.43 5.68 -1.21 -4.90 116.55 110.91 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 0.02 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.00 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 -1.59 0.00 -2.12 4.77 -1.26 -4.92 117.00 111.88 1f6v n LEU 81 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1f6v n LEU 81 Cb 0.00 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 1f6v n LEU 81 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.39 175.16 1f6v n ASP 82 N -1.16 0.00 0.00 -1.43 5.75 -1.26 -4.98 116.55 113.47 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 0.40 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 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 -0.00 0.00 0.03 2.12 0.31 -1.26 -4.78 118.33 114.75 1f6v n VAL 83 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.34 1f6v n VAL 83 Cb 0.00 -0.23 0.35 0.00 -0.91 0.00 0.00 33.84 33.06 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 0.41 -0.29 4.52 3.32 -1.91 -1.34 116.42 121.14 1f6v h ASP 84 Ca 0.00 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1f6v h ASP 84 Cb 0.00 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1f6v h ASP 84 CO 0.00 0.46 0.00 2.30 -1.72 0.00 0.00 179.24 180.28 1f6v n ILE 85 N -4.32 0.37 -0.19 0.35 -0.00 -1.26 -4.67 119.36 109.63 1f6v n ILE 85 Ca 0.01 -0.52 0.00 0.00 -0.00 0.00 0.00 62.75 62.24 1f6v n ILE 85 Cb 0.21 0.56 0.00 0.00 -0.00 0.00 0.00 39.64 40.40 1f6v n ILE 85 CO 0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 176.55 175.35 1f6v n SER 86 N 0.78 0.00 -1.34 7.28 7.64 -0.50 -4.82 113.62 122.66 1f6v n SER 86 Ca 0.17 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.17 1f6v n SER 86 Cb 0.43 0.00 0.32 0.00 -1.01 0.00 0.00 64.21 63.94 1f6v n SER 86 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1f6v n THR 87 N 0.00 0.98 -3.73 0.44 5.66 -1.26 -4.70 114.28 111.67 1f6v n THR 87 Ca 0.00 -0.99 -0.35 0.00 -3.05 0.00 0.00 64.05 59.66 1f6v n THR 87 Cb 0.00 0.52 -0.09 0.00 -1.55 0.00 0.00 70.33 69.21 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 -1.02 5.21 -0.02 1.09 1.43 -1.25 -4.90 118.68 119.21 1f6v s LEU 88 Ca 0.48 -3.16 -0.03 0.00 -1.03 0.00 0.00 54.13 50.40 1f6v s LEU 88 Cb 0.25 -1.83 -0.01 0.00 0.03 0.00 0.00 46.19 44.63 1f6v s LEU 88 CO 0.33 -0.29 -0.05 0.18 0.23 0.00 0.00 176.35 176.75 1f6v n LEU 89 N 3.06 0.33 0.00 1.79 4.32 -1.26 -4.28 117.00 120.97 1f6v n LEU 89 Ca 0.12 0.05 0.00 0.00 -0.02 0.00 0.00 56.01 56.16 1f6v n LEU 89 Cb 0.37 -0.44 0.00 0.00 -1.62 0.00 0.00 43.42 41.73 1f6v n LEU 89 CO 0.34 -0.48 0.33 -1.14 -1.22 0.00 0.00 177.39 175.22 1f6v n ARG 90 N -2.83 0.00 0.00 3.23 3.00 -1.26 -5.03 116.66 113.76 1f6v n ARG 90 Ca -0.02 0.47 0.15 0.00 -0.00 0.00 0.00 57.85 58.45 1f6v n ARG 90 Cb 0.08 -1.31 0.91 0.00 0.00 0.00 0.00 32.46 32.14 1f6v n ARG 90 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90