#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qvg s ARG 8 N 0.00 1.44 -0.19 5.31 1.70 -0.73 -4.99 118.95 121.49 1qvg s ARG 8 Ca 0.00 -0.90 -0.02 0.00 -0.47 0.00 0.00 55.73 54.34 1qvg s ARG 8 Cb 0.00 0.43 -0.00 0.00 -0.57 0.00 0.00 34.95 34.80 1qvg s ARG 8 CO 0.00 -0.67 -0.10 0.08 -1.08 0.00 0.00 175.30 173.53 1qvg s VAL 9 N -2.53 2.98 -0.01 4.99 1.01 -1.26 -1.78 120.40 123.80 1qvg s VAL 9 Ca 0.18 -0.64 0.06 0.00 0.00 0.00 0.00 61.98 61.58 1qvg s VAL 9 Cb -0.03 -2.32 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 1qvg s VAL 9 CO 0.06 0.47 -0.19 -0.69 0.00 0.00 0.00 175.10 174.74 1qvg s VAL 10 N 1.23 1.54 -0.36 2.92 1.01 0.95 -4.95 120.40 122.73 1qvg s VAL 10 Ca 0.03 -0.88 -0.17 0.00 0.00 0.00 0.00 61.98 60.96 1qvg s VAL 10 Cb -0.14 -1.29 -0.00 0.00 0.00 0.00 0.00 36.38 34.95 1qvg s VAL 10 CO -0.04 0.40 0.44 -0.89 0.00 0.00 0.00 175.10 175.00 1qvg s THR 11 N -0.50 5.09 -0.22 3.92 2.01 -1.26 0.14 115.64 124.81 1qvg s THR 11 Ca 0.07 0.09 -0.14 0.00 0.31 0.00 0.00 61.69 62.02 1qvg s THR 11 Cb -0.08 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 1qvg s THR 11 CO -0.00 -0.21 0.32 -0.63 -0.69 0.00 0.00 174.62 173.41 1qvg s ILE 12 N 2.20 5.25 0.11 1.82 -1.09 0.47 -4.89 121.20 125.06 1qvg s ILE 12 Ca 0.15 0.52 -0.27 0.00 -2.23 0.00 0.00 60.65 58.82 1qvg s ILE 12 Cb -0.16 -3.65 -0.07 0.00 -1.58 0.00 0.00 42.46 37.00 1qvg s ILE 12 CO 0.13 0.27 0.83 -2.16 -1.23 0.00 0.00 174.94 172.78 1qvg s PRO 13 N 1.30 4.59 -0.25 2.79 0.04 -1.26 -1.49 135.00 140.72 1qvg s PRO 13 Ca 0.15 1.21 0.10 0.00 0.04 0.00 0.00 61.00 62.50 1qvg s PRO 13 Cb -0.14 -3.33 0.45 0.00 0.04 0.00 0.00 34.50 31.51 1qvg s PRO 13 CO 0.07 0.37 1.20 1.28 0.04 0.00 0.00 177.00 179.96 1qvg n LEU 14 N 2.33 3.86 0.18 -3.56 4.77 0.12 -4.71 117.00 119.99 1qvg n LEU 14 Ca -0.02 -4.29 0.05 0.00 -0.03 0.00 0.00 56.01 51.72 1qvg n LEU 14 Cb 0.49 -0.36 0.30 0.00 -2.33 0.00 0.00 43.42 41.52 1qvg n LEU 14 CO 0.48 1.76 0.65 0.08 -1.33 0.00 0.00 177.39 179.03 1qvg h ARG 15 N 1.73 0.00 0.00 3.23 0.11 -1.93 -3.09 114.38 114.43 1qvg h ARG 15 Ca 0.20 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.28 1qvg h ARG 15 Cb 1.34 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.42 1qvg h ARG 15 CO 0.44 0.41 0.00 -0.25 0.10 0.00 0.00 179.97 180.66 1qvg n ASP 16 N -3.54 0.00 0.00 0.08 8.00 -1.26 -3.07 116.55 116.76 1qvg n ASP 16 Ca -0.00 -0.41 0.12 0.00 0.71 0.00 0.00 54.79 55.21 1qvg n ASP 16 Cb 0.53 -0.19 0.60 0.00 -0.02 0.00 0.00 41.12 42.04 1qvg n ASP 16 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qvg n ALA 17 N -1.19 2.23 1.00 2.24 0.00 -1.17 -2.74 120.51 120.87 1qvg n ALA 17 Ca 0.17 -0.11 0.13 0.00 0.00 0.00 0.00 53.44 53.63 1qvg n ALA 17 Cb 0.19 -1.41 0.39 0.00 0.00 0.00 0.00 19.45 18.62 1qvg n ALA 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1qvg n ARG 18 N -1.35 0.00 0.23 0.00 1.74 -1.17 -3.19 116.66 112.92 1qvg n ARG 18 Ca 0.10 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.31 1qvg n ARG 18 Cb 0.23 -1.50 0.32 0.00 -1.02 0.00 0.00 32.46 30.49 1qvg n ARG 18 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1qvg h ALA 19 N 2.99 0.99 -2.63 7.54 0.00 -1.76 -3.44 119.26 122.95 1qvg h ALA 19 Ca 0.00 -0.02 -0.58 0.00 0.00 0.00 0.00 54.91 54.32 1qvg h ALA 19 Cb 0.50 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1qvg h ALA 19 CO 0.00 0.03 -0.18 -2.00 0.00 0.00 0.00 179.25 177.10 1qvg s GLU 20 N -3.34 3.84 -0.05 0.00 2.56 -1.19 -5.01 118.70 115.50 1qvg s GLU 20 Ca 0.05 0.29 -0.36 0.00 0.00 0.00 0.00 54.97 54.95 1qvg s GLU 20 Cb 0.06 -2.95 -0.14 0.00 2.00 0.00 0.00 34.13 33.11 1qvg s GLU 20 CO 0.64 0.51 1.70 -0.35 -0.56 0.00 0.00 175.26 177.20 1qvg n PRO 21 N 0.78 1.78 -0.33 4.30 -0.04 -1.26 -4.82 135.00 135.41 1qvg n PRO 21 Ca -0.06 0.65 0.30 0.00 -0.04 0.00 0.00 63.50 64.34 1qvg n PRO 21 Cb 0.52 -2.41 0.51 0.00 -0.04 0.00 0.00 33.50 32.09 1qvg n PRO 21 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1qvg n ASN 22 N 5.02 0.22 0.00 3.54 3.02 -1.26 -0.55 115.26 125.24 1qvg n ASN 22 Ca 0.22 1.20 0.01 0.00 -0.03 0.00 0.00 54.58 55.98 1qvg n ASN 22 Cb 0.24 -0.59 0.08 0.00 -0.61 0.00 0.00 39.78 38.89 1qvg n ASN 22 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qvg n HIS 23 N -4.51 0.00 -2.47 3.10 1.44 -1.26 -2.98 115.22 108.53 1qvg n HIS 23 Ca 0.32 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 56.07 1qvg n HIS 23 Cb 1.17 0.00 0.03 0.00 0.12 0.00 0.00 29.99 31.30 1qvg n HIS 23 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1qvg n LYS 24 N -0.55 0.05 -0.14 -1.40 5.02 0.29 -4.55 118.16 116.88 1qvg n LYS 24 Ca 0.02 -2.04 -0.09 0.00 -2.02 0.00 0.00 58.31 54.18 1qvg n LYS 24 Cb 0.01 -0.05 -0.00 0.00 -0.02 0.00 0.00 35.03 34.96 1qvg n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1qvg h ARG 25 N 1.00 0.60 -0.15 1.97 3.08 -1.17 -3.06 114.38 116.65 1qvg h ARG 25 Ca -0.22 -0.09 0.02 0.00 0.07 0.00 0.00 59.98 59.76 1qvg h ARG 25 Cb 1.87 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 31.78 1qvg h ARG 25 CO 0.10 0.52 -0.22 0.00 -1.07 0.00 0.00 179.97 179.30 1qvg h ALA 26 N 1.05 -0.50 -0.67 0.04 0.00 -1.62 0.25 119.26 117.82 1qvg h ALA 26 Ca 0.14 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.15 1qvg h ALA 26 Cb 0.11 0.86 -0.11 0.00 0.00 0.00 0.00 17.79 18.65 1qvg h ALA 26 CO -0.02 -0.60 -0.44 -0.44 0.00 0.00 0.00 179.25 177.75 1qvg h ASP 27 N -0.16 -1.54 -0.99 0.00 3.45 -1.84 0.33 116.42 115.66 1qvg h ASP 27 Ca 0.03 0.26 0.05 0.00 0.43 0.00 0.00 57.03 57.80 1qvg h ASP 27 Cb 0.24 0.71 -0.06 0.00 -0.56 0.00 0.00 39.33 39.66 1qvg h ASP 27 CO -0.23 -0.32 0.65 0.50 -1.57 0.00 0.00 179.24 178.27 1qvg h LYS 28 N -0.18 1.18 0.68 3.56 1.63 -1.20 -1.70 116.57 120.55 1qvg h LYS 28 Ca 0.20 -0.07 -0.03 0.00 -0.85 0.00 0.00 60.65 59.90 1qvg h LYS 28 Cb 0.55 -0.27 -0.00 0.00 -0.60 0.00 0.00 32.23 31.91 1qvg h LYS 28 CO -0.75 0.78 -0.43 0.00 -3.45 0.00 0.00 179.45 175.61 1qvg h ALA 29 N 1.42 -1.22 -1.42 5.00 0.00 0.13 0.13 119.26 123.30 1qvg h ALA 29 Ca 0.41 -0.22 0.48 0.00 0.00 0.00 0.00 54.91 55.59 1qvg h ALA 29 Cb 0.07 0.54 -0.14 0.00 0.00 0.00 0.00 17.79 18.27 1qvg h ALA 29 CO -0.14 -1.19 0.92 1.98 0.00 0.00 0.00 179.25 180.82 1qvg h MET 30 N -1.04 0.01 -0.04 0.00 1.85 -0.39 1.01 114.93 116.33 1qvg h MET 30 Ca -0.09 -0.00 -0.08 0.00 -0.61 0.00 0.00 59.70 58.92 1qvg h MET 30 Cb 0.83 -0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.87 1qvg h MET 30 CO 0.09 0.00 -0.27 0.82 -0.40 0.00 0.00 176.91 177.15 1qvg h ILE 31 N 0.01 1.47 -0.87 1.77 2.04 -0.40 -3.08 117.51 118.45 1qvg h ILE 31 Ca 0.89 -1.77 0.12 0.00 1.00 0.00 0.00 64.86 65.09 1qvg h ILE 31 Cb 2.90 2.49 -0.08 0.00 -0.74 0.00 0.00 36.82 41.39 1qvg h ILE 31 CO -0.44 0.50 0.50 -0.07 0.00 0.00 0.00 178.15 178.63 1qvg h LEU 32 N -0.32 0.68 -0.72 1.44 3.38 0.29 -0.23 115.31 119.83 1qvg h LEU 32 Ca -0.02 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.03 1qvg h LEU 32 Cb 0.95 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.60 1qvg h LEU 32 CO 0.06 0.35 0.47 0.40 0.09 0.00 0.00 178.44 179.80 1qvg h ILE 33 N 0.77 1.16 -0.30 1.22 2.04 -0.88 0.03 117.51 121.55 1qvg h ILE 33 Ca 0.45 -0.32 -0.12 0.00 1.00 0.00 0.00 64.86 65.86 1qvg h ILE 33 Cb 0.51 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 1qvg h ILE 33 CO -0.29 0.17 -0.32 -0.09 0.00 0.00 0.00 178.15 177.62 1qvg h ARG 34 N 0.95 0.64 -0.12 2.37 2.43 -1.13 -2.82 114.38 116.70 1qvg h ARG 34 Ca 0.27 -0.29 -0.13 0.00 -0.81 0.00 0.00 59.98 59.02 1qvg h ARG 34 Cb -0.07 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1qvg h ARG 34 CO -0.08 0.88 -0.51 0.93 -1.51 0.00 0.00 179.97 179.68 1qvg h GLU 35 N 0.55 0.34 0.82 0.20 5.08 -0.49 -2.36 114.58 118.71 1qvg h GLU 35 Ca 0.06 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.19 1qvg h GLU 35 Cb 0.81 0.02 0.01 0.00 0.50 0.00 0.00 28.75 30.08 1qvg h GLU 35 CO 0.07 0.77 -0.39 1.25 -1.00 0.00 0.00 179.01 179.70 1qvg h HIS 36 N 0.27 -1.02 -0.23 4.33 2.76 -0.86 -2.56 115.15 117.82 1qvg h HIS 36 Ca 0.01 -0.02 0.06 0.00 -2.20 0.00 0.00 60.37 58.22 1qvg h HIS 36 Cb 0.99 0.34 -0.07 0.00 1.55 0.00 0.00 27.41 30.21 1qvg h HIS 36 CO 0.03 -0.64 -0.30 -0.07 -1.30 0.00 0.00 177.93 175.65 1qvg h LEU 37 N -1.25 -0.95 -1.22 0.26 3.38 -1.54 0.95 115.31 114.94 1qvg h LEU 37 Ca -0.11 0.16 0.27 0.00 0.09 0.00 0.00 57.88 58.28 1qvg h LEU 37 Cb 0.85 0.43 -0.11 0.00 0.09 0.00 0.00 40.66 41.91 1qvg h LEU 37 CO 0.19 -0.32 0.65 0.00 0.09 0.00 0.00 178.44 179.04 1qvg h ALA 38 N 0.63 2.09 0.15 1.53 0.00 -1.44 0.27 119.26 122.48 1qvg h ALA 38 Ca 0.13 0.09 -0.22 0.00 0.00 0.00 0.00 54.91 54.91 1qvg h ALA 38 Cb 0.52 0.04 0.03 0.00 0.00 0.00 0.00 17.79 18.37 1qvg h ALA 38 CO -0.41 -0.54 -0.96 -0.22 0.00 0.00 0.00 179.25 177.12 1qvg h LYS 39 N 0.44 0.38 0.00 0.00 3.64 -0.51 0.08 116.57 120.60 1qvg h LYS 39 Ca 0.63 -0.61 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1qvg h LYS 39 Cb 1.48 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 33.52 1qvg h LYS 39 CO -0.39 1.28 0.00 0.72 -2.27 0.00 0.00 179.45 178.80 1qvg n HIS 40 N -4.03 0.33 -1.17 1.91 8.25 0.11 -3.08 115.22 117.54 1qvg n HIS 40 Ca -0.14 0.10 0.09 0.00 -0.26 0.00 0.00 57.72 57.51 1qvg n HIS 40 Cb 0.88 -0.66 0.15 0.00 1.12 0.00 0.00 29.99 31.48 1qvg n HIS 40 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1qvg n PHE 41 N -1.77 0.00 -3.57 4.41 3.01 0.85 -5.02 117.46 115.38 1qvg n PHE 41 Ca 0.06 -1.08 -0.22 0.00 1.01 0.00 0.00 57.45 57.22 1qvg n PHE 41 Cb 0.36 -0.17 0.00 0.00 -0.01 0.00 0.00 39.48 39.67 1qvg n PHE 41 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1qvg n SER 42 N -1.37 -2.97 -4.11 4.37 7.64 -1.12 -4.95 113.62 111.11 1qvg n SER 42 Ca 0.16 -0.72 -0.09 0.00 1.01 0.00 0.00 58.87 59.24 1qvg n SER 42 Cb 0.65 -1.04 -0.10 0.00 -1.01 0.00 0.00 64.21 62.72 1qvg n SER 42 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1qvg s VAL 43 N -3.13 0.14 0.21 0.44 1.01 -0.00 -5.00 120.40 114.08 1qvg s VAL 43 Ca 0.11 -1.82 -0.30 0.00 0.00 0.00 0.00 61.98 59.97 1qvg s VAL 43 Cb -0.06 -1.83 -0.08 0.00 0.00 0.00 0.00 36.38 34.40 1qvg s VAL 43 CO 0.61 -0.64 0.94 -1.81 0.00 0.00 0.00 175.10 174.20 1qvg s ASP 44 N -2.99 7.62 0.26 3.32 1.11 -1.26 -4.49 116.67 120.22 1qvg s ASP 44 Ca 0.17 1.92 0.14 0.00 0.18 0.00 0.00 52.55 54.96 1qvg s ASP 44 Cb 0.07 -2.61 0.76 0.00 1.07 0.00 0.00 42.92 42.22 1qvg s ASP 44 CO -0.03 0.11 1.37 -0.62 1.18 0.00 0.00 175.17 177.19 1qvg n GLU 45 N 1.76 0.09 0.09 8.23 1.02 -1.26 0.42 120.64 130.99 1qvg n GLU 45 Ca -0.01 0.57 -0.04 0.00 -0.02 0.00 0.00 57.16 57.65 1qvg n GLU 45 Cb 0.47 -1.93 -0.02 0.00 -0.02 0.00 0.00 31.44 29.95 1qvg n GLU 45 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1qvg h ASP 46 N 0.00 0.00 0.44 1.62 3.32 -1.97 -3.17 116.42 116.66 1qvg h ASP 46 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1qvg h ASP 46 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1qvg h ASP 46 CO 0.00 0.83 -0.23 0.00 -1.72 0.00 0.00 179.24 178.12 1qvg n ALA 47 N -2.35 2.99 -2.61 3.45 0.00 0.17 -4.82 120.51 117.34 1qvg n ALA 47 Ca -0.00 -0.30 -0.43 0.00 0.00 0.00 0.00 53.44 52.71 1qvg n ALA 47 Cb 0.82 -1.24 -0.03 0.00 0.00 0.00 0.00 19.45 19.00 1qvg n ALA 47 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1qvg s VAL 48 N -2.68 4.50 -0.20 0.00 1.01 -1.15 -2.61 120.40 119.28 1qvg s VAL 48 Ca 0.21 1.28 -0.07 0.00 0.00 0.00 0.00 61.98 63.41 1qvg s VAL 48 Cb 0.19 -4.40 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 1qvg s VAL 48 CO 0.55 -0.62 0.05 -0.60 0.00 0.00 0.00 175.10 174.48 1qvg s ARG 49 N 3.68 3.82 -0.26 2.72 3.52 -0.26 -4.98 118.95 127.19 1qvg s ARG 49 Ca 0.41 -0.42 -0.07 0.00 -0.13 0.00 0.00 55.73 55.52 1qvg s ARG 49 Cb -0.11 -3.19 -0.01 0.00 -1.56 0.00 0.00 34.95 30.07 1qvg s ARG 49 CO 0.21 0.13 0.07 -0.51 -0.81 0.00 0.00 175.30 174.38 1qvg s LEU 50 N 0.75 3.55 0.43 -0.88 1.43 -1.26 -1.18 118.68 121.52 1qvg s LEU 50 Ca 0.02 -0.39 -0.26 0.00 -1.03 0.00 0.00 54.13 52.48 1qvg s LEU 50 Cb -0.14 -1.90 -0.09 0.00 0.03 0.00 0.00 46.19 44.10 1qvg s LEU 50 CO 0.02 -0.09 1.43 -0.62 0.23 0.00 0.00 176.35 177.32 1qvg s ASP 51 N 1.57 5.99 0.64 2.29 -1.08 0.10 -4.82 116.67 121.36 1qvg s ASP 51 Ca 0.05 2.92 0.22 0.00 -0.52 0.00 0.00 52.55 55.22 1qvg s ASP 51 Cb -0.16 -2.66 1.12 0.00 -1.46 0.00 0.00 42.92 39.76 1qvg s ASP 51 CO 0.03 -1.10 1.62 -0.65 0.52 0.00 0.00 175.17 175.58 1qvg h PRO 52 N 2.47 0.00 -0.12 4.34 0.11 -1.97 0.17 132.00 136.99 1qvg h PRO 52 Ca -0.51 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.62 1qvg h PRO 52 Cb 1.26 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 1qvg h PRO 52 CO 0.62 0.00 -0.01 0.66 -0.21 0.00 0.00 178.00 179.06 1qvg h SER 53 N 0.00 -0.07 -0.76 -2.05 4.64 -1.93 0.97 113.55 114.35 1qvg h SER 53 Ca 0.11 0.03 0.08 0.00 -0.47 0.00 0.00 61.79 61.54 1qvg h SER 53 Cb 1.39 0.06 -0.07 0.00 -0.31 0.00 0.00 62.40 63.47 1qvg h SER 53 CO -0.00 -0.02 0.43 0.40 -0.87 0.00 0.00 176.83 176.77 1qvg h ILE 54 N 0.03 0.93 0.81 0.95 2.04 -1.29 -0.06 117.51 120.93 1qvg h ILE 54 Ca 0.06 -0.26 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 1qvg h ILE 54 Cb 0.07 0.11 0.01 0.00 -0.74 0.00 0.00 36.82 36.28 1qvg h ILE 54 CO -0.11 0.14 -0.39 -1.13 0.00 0.00 0.00 178.15 176.66 1qvg h ASN 55 N 0.75 -0.93 -0.51 1.72 -1.24 -1.41 -2.21 115.58 111.75 1qvg h ASN 55 Ca 0.36 0.03 0.15 0.00 0.71 0.00 0.00 56.30 57.54 1qvg h ASN 55 Cb 0.29 0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.56 1qvg h ASN 55 CO -0.22 -0.57 0.50 -0.33 -1.29 0.00 0.00 177.43 175.52 1qvg h GLU 56 N -1.27 0.00 -0.04 6.67 5.08 -0.47 0.57 114.58 125.12 1qvg h GLU 56 Ca -0.11 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1qvg h GLU 56 Cb 0.84 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 1qvg h GLU 56 CO 0.18 0.00 -0.02 0.00 -1.00 0.00 0.00 179.01 178.17 1qvg h ALA 57 N 1.48 0.05 0.00 3.43 0.00 -0.58 -1.81 119.26 121.83 1qvg h ALA 57 Ca 0.24 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1qvg h ALA 57 Cb 1.24 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1qvg h ALA 57 CO -0.00 -0.20 -0.27 0.00 0.00 0.00 0.00 179.25 178.77 1qvg h ALA 58 N 0.59 1.53 -0.64 0.00 0.00 -0.35 -2.44 119.26 117.94 1qvg h ALA 58 Ca 0.01 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1qvg h ALA 58 Cb 0.47 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1qvg h ALA 58 CO 0.01 0.34 0.00 0.91 0.00 0.00 0.00 179.25 180.50 1qvg n TRP 59 N -4.18 1.26 -0.04 0.00 7.02 -0.43 -4.63 117.44 116.44 1qvg n TRP 59 Ca -0.02 -0.53 -0.09 0.00 -1.02 0.00 0.00 57.50 55.83 1qvg n TRP 59 Cb 0.32 -0.16 -0.03 0.00 -2.42 0.00 0.00 31.31 29.02 1qvg n TRP 59 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1qvg h ALA 60 N 4.14 -0.30 -0.93 6.99 0.00 -0.81 -2.81 119.26 125.55 1qvg h ALA 60 Ca 0.00 0.05 -0.44 0.00 0.00 0.00 0.00 54.91 54.52 1qvg h ALA 60 Cb 1.23 0.64 -0.26 0.00 0.00 0.00 0.00 17.79 19.40 1qvg h ALA 60 CO 0.15 -0.77 0.55 0.54 0.00 0.00 0.00 179.25 179.73 1qvg n ARG 61 N -5.41 2.61 0.00 0.00 1.74 -1.26 -5.05 116.66 109.29 1qvg n ARG 61 Ca -0.02 -3.04 0.00 0.00 -0.77 0.00 0.00 57.85 54.03 1qvg n ARG 61 Cb 0.33 -2.18 0.00 0.00 -1.02 0.00 0.00 32.46 29.58 1qvg n ARG 61 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qvg n GLY 62 N -0.91 1.09 0.15 -0.13 0.00 -1.06 -4.25 105.19 100.08 1qvg n GLY 62 Ca 0.55 -2.08 0.13 0.00 0.00 0.00 0.00 46.02 44.62 1qvg n GLY 62 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1qvg h ARG 63 N 0.00 0.00 0.00 1.61 2.43 -1.90 -3.25 114.38 113.27 1qvg h ARG 63 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1qvg h ARG 63 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1qvg h ARG 63 CO 0.00 0.00 -1.42 0.00 -1.51 0.00 0.00 179.97 177.04 1qvg n ALA 64 N -1.84 3.16 -3.64 2.80 0.00 -1.26 -1.51 120.51 118.22 1qvg n ALA 64 Ca 0.03 -0.42 -0.38 0.00 0.00 0.00 0.00 53.44 52.67 1qvg n ALA 64 Cb 0.33 -0.59 -0.07 0.00 0.00 0.00 0.00 19.45 19.12 1qvg n ALA 64 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1qvg s ASN 65 N -3.46 5.74 -0.10 0.00 0.01 -1.23 -4.70 114.94 111.20 1qvg s ASN 65 Ca -0.02 -3.21 -0.07 0.00 -0.71 0.00 0.00 52.86 48.85 1qvg s ASN 65 Cb 0.11 -1.92 -0.04 0.00 0.41 0.00 0.00 41.25 39.81 1qvg s ASN 65 CO 0.69 -0.31 0.16 -0.89 -1.51 0.00 0.00 177.10 175.24 1qvg s THR 66 N -0.59 5.47 0.40 1.60 2.01 -1.26 -4.23 115.64 119.03 1qvg s THR 66 Ca 0.22 0.22 -0.26 0.00 0.31 0.00 0.00 61.69 62.18 1qvg s THR 66 Cb -0.14 -3.43 -0.09 0.00 0.01 0.00 0.00 72.50 68.85 1qvg s THR 66 CO -0.08 0.59 1.26 -2.16 -0.69 0.00 0.00 174.62 173.55 1qvg s PRO 67 N -1.12 4.01 0.35 4.92 0.04 -1.26 -4.93 135.00 137.02 1qvg s PRO 67 Ca 0.17 2.07 0.25 0.00 0.04 0.00 0.00 61.00 63.53 1qvg s PRO 67 Cb -0.12 -2.76 1.24 0.00 0.04 0.00 0.00 34.50 32.90 1qvg s PRO 67 CO 0.06 -0.42 1.77 0.66 0.04 0.00 0.00 177.00 179.11 1qvg h SER 68 N 2.72 0.00 -5.58 6.66 4.64 -1.95 -3.43 113.55 116.60 1qvg h SER 68 Ca -0.49 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 60.52 1qvg h SER 68 Cb 1.24 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.25 1qvg h SER 68 CO 0.63 0.00 -0.21 -0.54 -0.87 0.00 0.00 176.83 175.83 1qvg s LYS 69 N -3.54 1.94 -0.30 4.77 1.02 -1.26 0.13 119.74 122.50 1qvg s LYS 69 Ca -0.00 -1.82 -0.17 0.00 0.02 0.00 0.00 55.97 54.00 1qvg s LYS 69 Cb 0.08 0.44 0.18 0.00 -0.52 0.00 0.00 37.83 38.00 1qvg s LYS 69 CO 0.31 -0.80 1.11 -1.50 -0.92 0.00 0.00 175.35 173.55 1qvg s ILE 70 N -3.00 -0.27 -0.04 2.17 2.07 -0.55 -4.88 121.20 116.70 1qvg s ILE 70 Ca 0.32 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 59.27 1qvg s ILE 70 Cb -0.00 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.56 1qvg s ILE 70 CO 0.22 0.00 0.93 -0.13 -1.91 0.00 0.00 174.94 174.05 1qvg s ARG 71 N 2.11 4.49 -0.01 3.50 0.52 -1.26 -0.40 118.95 127.90 1qvg s ARG 71 Ca -0.02 1.30 0.03 0.00 -0.52 0.00 0.00 55.73 56.52 1qvg s ARG 71 Cb -0.04 -3.48 -0.01 0.00 0.52 0.00 0.00 34.95 31.95 1qvg s ARG 71 CO -0.16 -0.10 -0.11 0.54 0.02 0.00 0.00 175.30 175.49 1qvg s VAL 72 N 1.25 0.87 -0.26 3.52 0.11 0.37 -3.96 120.40 122.31 1qvg s VAL 72 Ca 0.48 -0.45 -0.10 0.00 -2.93 0.00 0.00 61.98 58.98 1qvg s VAL 72 Cb -0.20 -0.74 -0.04 0.00 -1.53 0.00 0.00 36.38 33.87 1qvg s VAL 72 CO 0.23 0.25 0.15 -0.60 -3.33 0.00 0.00 175.10 171.80 1qvg s ARG 73 N -0.12 3.92 0.19 1.54 3.52 -0.39 -0.04 118.95 127.57 1qvg s ARG 73 Ca 0.02 -0.34 0.09 0.00 -0.13 0.00 0.00 55.73 55.37 1qvg s ARG 73 Cb -0.06 -3.52 -0.04 0.00 -1.56 0.00 0.00 34.95 29.77 1qvg s ARG 73 CO -0.00 -0.09 -0.19 0.00 -0.81 0.00 0.00 175.30 174.22 1qvg s ALA 74 N 1.44 2.17 0.01 6.12 0.00 -0.73 -1.55 121.76 129.22 1qvg s ALA 74 Ca 0.07 -1.59 0.02 0.00 0.00 0.00 0.00 51.96 50.46 1qvg s ALA 74 Cb -0.15 -0.20 -0.01 0.00 0.00 0.00 0.00 23.12 22.76 1qvg s ALA 74 CO 0.07 0.24 -0.07 0.00 0.00 0.00 0.00 175.76 175.99 1qvg s ALA 75 N -2.21 0.59 -0.05 0.00 0.00 -0.58 -1.77 121.76 117.72 1qvg s ALA 75 Ca 0.19 -0.47 0.06 0.00 0.00 0.00 0.00 51.96 51.74 1qvg s ALA 75 Cb -0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 1qvg s ALA 75 CO 0.08 0.09 -0.24 0.50 0.00 0.00 0.00 175.76 176.19 1qvg s ARG 76 N -0.69 2.43 0.00 0.00 3.52 -1.26 -1.76 118.95 121.19 1qvg s ARG 76 Ca -0.02 -0.87 0.00 0.00 -0.13 0.00 0.00 55.73 54.71 1qvg s ARG 76 Cb -0.05 -2.08 0.00 0.00 -1.56 0.00 0.00 34.95 31.26 1qvg s ARG 76 CO 0.00 0.38 0.00 1.97 -0.81 0.00 0.00 175.30 176.84 1qvg n PHE 77 N 2.94 0.00 -1.15 5.12 1.16 -0.83 -4.71 117.46 119.99 1qvg n PHE 77 Ca -0.17 0.00 0.03 0.00 -1.87 0.00 0.00 57.45 55.43 1qvg n PHE 77 Cb 0.52 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.38 1qvg n PHE 77 CO 0.00 0.00 0.00 -1.91 -1.87 0.00 0.00 176.76 172.98 1qvg n GLU 78 N 0.00 -0.42 0.00 3.97 2.13 -1.26 -1.93 120.64 123.13 1qvg n GLU 78 Ca 0.00 0.28 0.14 0.00 0.66 0.00 0.00 57.16 58.24 1qvg n GLU 78 Cb 0.00 -0.51 0.65 0.00 0.27 0.00 0.00 31.44 31.84 1qvg n GLU 78 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1qvg n GLU 79 N -1.32 0.19 0.00 5.31 -0.00 -1.26 -3.67 120.64 119.89 1qvg n GLU 79 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 57.16 57.15 1qvg n GLU 79 Cb 0.09 -1.50 0.00 0.00 -0.00 0.00 0.00 31.44 30.04 1qvg n GLU 79 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1qvg n GLU 80 N -1.39 3.47 0.00 3.44 2.13 -1.26 -5.12 120.64 121.91 1qvg n GLU 80 Ca 0.10 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.92 1qvg n GLU 80 Cb 0.30 -0.72 0.00 0.00 0.27 0.00 0.00 31.44 31.29 1qvg n GLU 80 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1qvg n GLY 81 N 1.64 -0.31 3.70 8.31 0.00 -1.23 -5.00 105.19 112.30 1qvg n GLY 81 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1qvg n GLY 81 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1qvg s GLU 82 N -4.79 0.66 0.01 1.61 -1.05 -0.81 -4.81 118.70 109.51 1qvg s GLU 82 Ca 0.00 -0.38 0.01 0.00 -0.15 0.00 0.00 54.97 54.46 1qvg s GLU 82 Cb 0.00 0.22 -0.01 0.00 -0.44 0.00 0.00 34.13 33.90 1qvg s GLU 82 CO 0.00 -0.30 -0.04 0.00 0.95 0.00 0.00 175.26 175.86 1qvg s ALA 83 N -2.59 0.33 -0.04 -0.84 0.00 -1.07 -1.96 121.76 115.58 1qvg s ALA 83 Ca 0.15 -0.29 0.05 0.00 0.00 0.00 0.00 51.96 51.88 1qvg s ALA 83 Cb 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.10 1qvg s ALA 83 CO -0.01 0.04 -0.21 0.42 0.00 0.00 0.00 175.76 176.00 1qvg s ILE 84 N -0.41 1.70 0.17 0.00 1.01 -0.72 -1.10 121.20 121.85 1qvg s ILE 84 Ca -0.02 -0.88 0.01 0.00 0.00 0.00 0.00 60.65 59.76 1qvg s ILE 84 Cb -0.03 -1.44 -0.04 0.00 0.01 0.00 0.00 42.46 40.95 1qvg s ILE 84 CO -0.00 0.48 0.03 -0.69 0.00 0.00 0.00 174.94 174.76 1qvg s VAL 85 N -0.13 0.50 0.34 2.92 1.01 -0.33 -1.53 120.40 123.18 1qvg s VAL 85 Ca -0.02 -1.96 -0.18 0.00 0.00 0.00 0.00 61.98 59.82 1qvg s VAL 85 Cb -0.12 -2.17 0.04 0.00 0.00 0.00 0.00 36.38 34.14 1qvg s VAL 85 CO 0.02 -0.41 0.77 -1.83 0.00 0.00 0.00 175.10 173.66 1qvg s GLU 86 N -3.97 2.06 0.77 2.72 -1.05 -0.59 0.03 118.70 118.66 1qvg s GLU 86 Ca 0.26 -1.27 -0.13 0.00 -0.15 0.00 0.00 54.97 53.68 1qvg s GLU 86 Cb 0.07 0.61 0.20 0.00 -0.44 0.00 0.00 34.13 34.57 1qvg s GLU 86 CO 0.05 -0.96 0.53 0.00 0.95 0.00 0.00 175.26 175.83 1qvg n ALA 87 N -0.51 -2.54 -1.07 -0.84 0.00 -1.26 -1.26 120.51 113.03 1qvg n ALA 87 Ca -0.07 -0.87 0.00 0.00 0.00 0.00 0.00 53.44 52.50 1qvg n ALA 87 Cb 0.60 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1qvg n ALA 87 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89