#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qzg s LEU 7 N 0.00 4.24 0.51 -5.58 2.96 -1.26 -4.97 118.68 114.58 2qzg s LEU 7 Ca 0.00 1.89 -0.19 0.00 -0.22 0.00 0.00 54.13 55.61 2qzg s LEU 7 Cb 0.00 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 43.07 2qzg s LEU 7 CO 0.00 -0.77 1.04 -0.94 -1.32 0.00 0.00 176.35 174.36 2qzg s SER 8 N 2.21 6.22 0.19 3.68 1.04 -1.26 -4.84 113.70 120.95 2qzg s SER 8 Ca 0.60 1.89 -0.17 0.00 0.48 0.00 0.00 55.95 58.76 2qzg s SER 8 Cb -0.26 -2.55 0.17 0.00 0.10 0.00 0.00 66.02 63.47 2qzg s SER 8 CO 0.20 -0.86 1.62 -0.65 0.98 0.00 0.00 173.24 174.53 2qzg h PRO 9 N 1.28 -0.07 -0.53 4.02 0.11 -1.99 0.18 132.00 134.99 2qzg h PRO 9 Ca -0.49 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.69 2qzg h PRO 9 Cb 1.22 0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.29 2qzg h PRO 9 CO 0.59 -0.05 0.23 0.00 -0.21 0.00 0.00 178.00 178.56 2qzg h ALA 10 N 1.34 0.67 -0.77 -0.75 0.00 -1.98 0.15 119.26 117.92 2qzg h ALA 10 Ca 0.25 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 2qzg h ALA 10 Cb 0.47 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 2qzg h ALA 10 CO -0.59 -0.15 0.46 -0.44 0.00 0.00 0.00 179.25 178.53 2qzg h ASP 11 N 0.44 0.92 0.73 0.00 5.19 -1.67 0.10 116.42 122.14 2qzg h ASP 11 Ca 0.25 -0.05 -0.04 0.00 -0.62 0.00 0.00 57.03 56.57 2qzg h ASP 11 Cb 0.23 -0.23 0.01 0.00 0.18 0.00 0.00 39.33 39.51 2qzg h ASP 11 CO -0.22 0.71 -0.35 0.11 -3.12 0.00 0.00 179.24 176.37 2qzg h LYS 12 N 1.06 -0.94 -0.87 3.56 1.57 0.38 -2.29 116.57 119.04 2qzg h LYS 12 Ca 0.28 0.06 0.15 0.00 -1.87 0.00 0.00 60.65 59.27 2qzg h LYS 12 Cb -0.04 0.21 -0.07 0.00 0.08 0.00 0.00 32.23 32.41 2qzg h LYS 12 CO -0.05 -0.61 0.57 -0.07 -0.57 0.00 0.00 179.45 178.71 2qzg h LEU 13 N -1.03 0.60 -0.30 2.94 3.38 -0.47 -0.93 115.31 119.49 2qzg h LEU 13 Ca -0.10 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 2qzg h LEU 13 Cb 0.76 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 2qzg h LEU 13 CO 0.16 0.30 0.08 0.50 0.09 0.00 0.00 178.44 179.57 2qzg h LYS 14 N 0.63 0.47 0.29 1.13 3.64 -0.72 -0.23 116.57 121.78 2qzg h LYS 14 Ca 0.44 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.70 2qzg h LYS 14 Cb 0.77 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 2qzg h LYS 14 CO -0.19 0.54 -0.14 -0.97 -2.27 0.00 0.00 179.45 176.42 2qzg h ASN 15 N 0.32 -0.33 -0.42 4.20 -0.73 -0.81 -2.21 115.58 115.60 2qzg h ASN 15 Ca 0.09 -0.04 0.08 0.00 1.87 0.00 0.00 56.30 58.30 2qzg h ASN 15 Cb 0.27 0.09 -0.07 0.00 0.27 0.00 0.00 38.32 38.88 2qzg h ASN 15 CO -0.00 -0.17 0.01 0.40 -0.37 0.00 0.00 177.43 177.30 2qzg h ILE 16 N -0.46 0.69 -0.91 2.57 2.04 -1.15 -2.66 117.51 117.62 2qzg h ILE 16 Ca -0.04 -0.04 0.03 0.00 1.00 0.00 0.00 64.86 65.81 2qzg h ILE 16 Cb 0.35 0.56 -0.05 0.00 -0.74 0.00 0.00 36.82 36.93 2qzg h ILE 16 CO 0.07 0.02 0.59 0.28 0.00 0.00 0.00 178.15 179.11 2qzg h SER 17 N 0.12 0.99 0.00 1.72 0.02 -0.98 -1.75 113.55 113.67 2qzg h SER 17 Ca 0.21 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 2qzg h SER 17 Cb 0.30 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.62 2qzg h SER 17 CO -0.34 0.68 0.00 -0.24 -1.14 0.00 0.00 176.83 175.79 2qzg n SER 18 N -4.51 0.92 0.00 3.07 2.88 -0.84 -1.25 113.62 113.89 2qzg n SER 18 Ca 0.12 -0.73 0.00 0.00 -1.33 0.00 0.00 58.87 56.93 2qzg n SER 18 Cb 0.09 -0.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.37 2qzg n SER 18 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2qzg n LEU 20 N 0.70 0.00 -0.09 2.46 4.77 -0.66 -1.95 117.00 122.23 2qzg n LEU 20 Ca 0.00 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.02 2qzg n LEU 20 Cb 0.16 0.00 0.38 0.00 -2.33 0.00 0.00 43.42 41.63 2qzg n LEU 20 CO 0.00 0.00 1.19 -0.33 -1.33 0.00 0.00 177.39 176.92 2qzg h GLU 21 N 0.00 0.67 -0.81 3.23 4.39 -1.45 -1.11 114.58 119.50 2qzg h GLU 21 Ca 0.00 -0.04 0.09 0.00 0.34 0.00 0.00 59.36 59.75 2qzg h GLU 21 Cb 0.00 -0.15 -0.07 0.00 -0.10 0.00 0.00 28.75 28.43 2qzg h GLU 21 CO 0.00 0.44 0.47 1.49 -1.16 0.00 0.00 179.01 180.25 2qzg h GLU 22 N 0.69 0.78 -0.22 2.33 4.81 -1.68 -1.65 114.58 119.64 2qzg h GLU 22 Ca 0.22 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.27 2qzg h GLU 22 Cb 0.02 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.22 2qzg h GLU 22 CO -0.05 0.51 -0.37 0.82 -0.73 0.00 0.00 179.01 179.19 2qzg h ILE 23 N 0.80 1.32 -0.81 2.32 2.04 -1.55 -2.40 117.51 119.24 2qzg h ILE 23 Ca 0.38 -1.59 0.11 0.00 1.00 0.00 0.00 64.86 64.77 2qzg h ILE 23 Cb 0.32 1.80 -0.06 0.00 -0.74 0.00 0.00 36.82 38.15 2qzg h ILE 23 CO -0.23 0.50 0.53 0.58 0.00 0.00 0.00 178.15 179.52 2qzg h VAL 24 N 0.33 0.90 -0.01 1.67 2.07 -1.12 -1.90 116.25 118.19 2qzg h VAL 24 Ca 0.01 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.31 2qzg h VAL 24 Cb 0.97 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 2qzg h VAL 24 CO 0.08 0.12 -0.35 -0.62 0.02 0.00 0.00 177.57 176.82 2qzg n GLU 25 N -4.52 0.65 -2.50 1.57 1.02 -0.64 -4.87 120.64 111.35 2qzg n GLU 25 Ca 0.14 -0.40 -0.42 0.00 -0.02 0.00 0.00 57.16 56.46 2qzg n GLU 25 Cb 0.39 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.29 2qzg n GLU 25 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2qzg s ASP 26 N -2.63 6.35 0.51 1.62 -1.08 -0.72 -4.89 116.67 115.84 2qzg s ASP 26 Ca 0.20 0.25 0.18 0.00 -0.52 0.00 0.00 52.55 52.67 2qzg s ASP 26 Cb 0.19 -2.55 1.28 0.00 -1.46 0.00 0.00 42.92 40.38 2qzg s ASP 26 CO 0.58 -1.53 2.12 0.74 0.52 0.00 0.00 175.17 177.59 2qzg h THR 27 N 6.26 0.95 0.00 1.71 2.02 -1.89 -2.40 112.91 119.55 2qzg h THR 27 Ca -0.26 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.72 2qzg h THR 27 Cb 1.07 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.59 2qzg h THR 27 CO 1.17 0.06 0.00 0.35 0.37 0.00 0.00 175.52 177.47 2qzg n THR 28 N -4.33 0.15 -3.63 3.16 -2.24 -1.26 -4.83 114.28 101.30 2qzg n THR 28 Ca -0.03 0.04 -0.36 0.00 -2.27 0.00 0.00 64.05 61.42 2qzg n THR 28 Cb 0.14 -0.58 -0.07 0.00 -2.10 0.00 0.00 70.33 67.72 2qzg n THR 28 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2qzg s VAL 29 N -2.86 5.32 0.50 2.28 1.01 -0.91 -5.01 120.40 120.74 2qzg s VAL 29 Ca 0.17 0.47 -0.21 0.00 0.00 0.00 0.00 61.98 62.41 2qzg s VAL 29 Cb 0.18 -3.57 -0.09 0.00 0.00 0.00 0.00 36.38 32.90 2qzg s VAL 29 CO 0.46 0.47 0.86 -2.65 0.00 0.00 0.00 175.10 174.24 2qzg n PRO 30 N 3.00 0.98 -0.29 2.72 -0.02 -1.26 -4.72 135.00 135.41 2qzg n PRO 30 Ca -0.14 0.36 -0.01 0.00 -2.02 0.00 0.00 63.50 61.69 2qzg n PRO 30 Cb 0.53 -1.96 0.11 0.00 -0.02 0.00 0.00 33.50 32.16 2qzg n PRO 30 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2qzg h ARG 31 N 0.92 0.94 0.00 -0.52 2.43 -1.96 -1.23 114.38 114.96 2qzg h ARG 31 Ca -0.45 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 58.61 2qzg h ARG 31 Cb 1.36 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 2qzg h ARG 31 CO 0.53 0.62 -0.22 -2.95 -1.51 0.00 0.00 179.97 176.43 2qzg h ASN 32 N 0.97 0.00 0.05 -3.80 -1.07 -1.99 -1.90 115.58 107.83 2qzg h ASN 32 Ca 0.34 0.00 -0.13 0.00 0.07 0.00 0.00 56.30 56.58 2qzg h ASN 32 Cb 0.08 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 36.34 2qzg h ASN 32 CO -0.14 0.22 -0.54 0.40 0.07 0.00 0.00 177.43 177.45 2qzg h ILE 33 N 0.00 1.53 -0.59 6.14 2.04 -1.58 -2.04 117.51 123.01 2qzg h ILE 33 Ca -0.00 -2.25 0.12 0.00 1.00 0.00 0.00 64.86 63.72 2qzg h ILE 33 Cb 0.54 2.95 -0.11 0.00 -0.74 0.00 0.00 36.82 39.46 2qzg h ILE 33 CO 0.03 0.63 -0.14 0.03 0.00 0.00 0.00 178.15 178.70 2qzg h ARG 34 N -0.39 0.00 -0.88 2.37 3.08 -1.43 -1.79 114.38 115.34 2qzg h ARG 34 Ca -0.08 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 2qzg h ARG 34 Cb 1.34 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.34 2qzg h ARG 34 CO 0.10 0.00 0.53 0.00 -1.07 0.00 0.00 179.97 179.53 2qzg h ALA 35 N 1.59 1.13 -0.58 0.04 0.00 -1.34 -1.45 119.26 118.65 2qzg h ALA 35 Ca 0.28 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2qzg h ALA 35 Cb 0.44 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2qzg h ALA 35 CO -0.60 0.59 0.20 0.00 0.00 0.00 0.00 179.25 179.44 2qzg h ALA 36 N 1.29 1.26 -0.46 0.00 0.00 -0.99 0.12 119.26 120.48 2qzg h ALA 36 Ca 0.32 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 2qzg h ALA 36 Cb -0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 2qzg h ALA 36 CO -0.06 0.53 -0.02 0.00 0.00 0.00 0.00 179.25 179.70 2qzg h ALA 37 N 1.38 1.10 -0.25 0.00 0.00 -1.04 -0.23 119.26 120.21 2qzg h ALA 37 Ca 0.19 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 2qzg h ALA 37 Cb 0.22 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2qzg h ALA 37 CO -0.01 0.57 -0.40 0.22 0.00 0.00 0.00 179.25 179.63 2qzg h ASP 38 N 0.72 0.78 -0.09 0.00 3.58 -0.52 -1.65 116.42 119.24 2qzg h ASP 38 Ca 0.14 -0.52 0.02 0.00 0.42 0.00 0.00 57.03 57.09 2qzg h ASP 38 Cb 0.47 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.27 2qzg h ASP 38 CO 0.02 1.15 -0.04 0.78 -2.88 0.00 0.00 179.24 178.28 2qzg h ASN 39 N 0.44 -0.13 -0.39 2.28 2.35 -0.61 -0.33 115.58 119.20 2qzg h ASN 39 Ca 0.02 0.03 0.07 0.00 -0.55 0.00 0.00 56.30 55.88 2qzg h ASN 39 Cb 0.99 0.07 -0.07 0.00 0.05 0.00 0.00 38.32 39.37 2qzg h ASN 39 CO 0.09 -0.05 -0.01 0.00 -1.65 0.00 0.00 177.43 175.80 2qzg h ALA 40 N 1.06 0.35 -0.38 -0.83 0.00 -0.99 -0.72 119.26 117.74 2qzg h ALA 40 Ca 0.05 0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.15 2qzg h ALA 40 Cb 0.10 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 2qzg h ALA 40 CO -0.11 -0.40 -0.00 -0.22 0.00 0.00 0.00 179.25 178.52 2qzg h LYS 41 N 0.09 0.10 -0.60 0.00 3.64 -0.86 -2.28 116.57 116.66 2qzg h LYS 41 Ca 0.19 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 2qzg h LYS 41 Cb 0.28 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 2qzg h LYS 41 CO -0.33 0.06 0.31 -0.91 -2.27 0.00 0.00 179.45 176.30 2qzg h ASN 42 N 0.10 0.77 -0.89 4.20 2.35 -0.47 -2.49 115.58 119.14 2qzg h ASN 42 Ca 0.19 -0.11 0.20 0.00 -0.55 0.00 0.00 56.30 56.02 2qzg h ASN 42 Cb 0.26 -0.20 -0.07 0.00 0.05 0.00 0.00 38.32 38.37 2qzg h ASN 42 CO -0.31 0.66 0.59 0.00 -1.65 0.00 0.00 177.43 176.72 2qzg h ALA 43 N 1.13 2.20 0.00 -0.83 0.00 -0.58 -0.47 119.26 120.71 2qzg h ALA 43 Ca 0.21 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2qzg h ALA 43 Cb 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2qzg h ALA 43 CO -0.03 -0.48 0.00 1.28 0.00 0.00 0.00 179.25 180.02 2qzg n LEU 44 N -4.51 0.30 -0.05 0.00 4.77 -0.94 -3.53 117.00 113.04 2qzg n LEU 44 Ca 0.19 0.59 -0.10 0.00 -0.03 0.00 0.00 56.01 56.66 2qzg n LEU 44 Cb 0.69 -0.56 -0.15 0.00 -2.33 0.00 0.00 43.42 41.07 2qzg n LEU 44 CO 0.31 -0.47 -0.76 1.41 -1.33 0.00 0.00 177.39 176.55 2qzg n HIS 45 N -1.85 0.67 -1.79 -1.77 8.25 -0.18 -4.91 115.22 113.64 2qzg n HIS 45 Ca 0.02 0.23 -0.23 0.00 -0.26 0.00 0.00 57.72 57.48 2qzg n HIS 45 Cb 0.15 -1.12 -0.05 0.00 1.12 0.00 0.00 29.99 30.09 2qzg n HIS 45 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2qzg s ASN 46 N -5.94 4.54 0.00 0.41 -0.87 -1.23 -4.79 114.94 107.06 2qzg s ASN 46 Ca -0.08 -0.06 0.05 0.00 -1.57 0.00 0.00 52.86 51.21 2qzg s ASN 46 Cb 0.07 -2.55 0.30 0.00 -0.02 0.00 0.00 41.25 39.06 2qzg s ASN 46 CO 0.82 -3.21 0.71 -0.62 -2.57 0.00 0.00 177.10 172.23 2qzg n GLU 47 N 8.89 0.40 -0.09 -0.60 1.02 -1.26 -1.39 120.64 127.61 2qzg n GLU 47 Ca 0.41 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.41 2qzg n GLU 47 Cb 0.47 -1.19 -0.04 0.00 -0.02 0.00 0.00 31.44 30.65 2qzg n GLU 47 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2qzg h GLU 48 N 0.00 0.71 -6.39 3.49 4.57 -2.01 -3.45 114.58 111.49 2qzg h GLU 48 Ca 0.00 -0.37 -0.55 0.00 -1.18 0.00 0.00 59.36 57.26 2qzg h GLU 48 Cb 0.00 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.57 2qzg h GLU 48 CO 0.00 0.98 0.03 -0.65 -1.18 0.00 0.00 179.01 178.19 2qzg s GLN 49 N -4.37 4.21 0.73 1.92 -0.21 -0.49 -5.07 119.66 116.38 2qzg s GLN 49 Ca -0.12 0.78 -0.11 0.00 0.02 0.00 0.00 55.36 55.93 2qzg s GLN 49 Cb 0.09 -3.06 0.03 0.00 1.00 0.00 0.00 33.01 31.06 2qzg s GLN 49 CO 0.83 0.52 1.07 -1.21 -2.12 0.00 0.00 175.29 174.38 2qzg s GLU 50 N -1.57 2.68 0.22 2.91 2.02 -1.26 -4.74 118.70 118.96 2qzg s GLU 50 Ca 0.36 0.97 -0.11 0.00 0.02 0.00 0.00 54.97 56.21 2qzg s GLU 50 Cb -0.18 -1.96 0.30 0.00 0.10 0.00 0.00 34.13 32.39 2qzg s GLU 50 CO 0.21 -1.29 1.63 -0.07 0.02 0.00 0.00 175.26 175.76 2qzg h LEU 51 N -0.86 -0.49 -0.37 1.80 3.38 -1.97 -1.93 115.31 114.88 2qzg h LEU 51 Ca -0.44 0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.61 2qzg h LEU 51 Cb 1.22 0.37 -0.01 0.00 0.09 0.00 0.00 40.66 42.32 2qzg h LEU 51 CO 0.56 -0.19 -0.48 0.16 0.09 0.00 0.00 178.44 178.57 2qzg h ILE 52 N 0.04 0.92 -0.15 1.22 3.07 -1.93 -1.02 117.51 119.66 2qzg h ILE 52 Ca 0.34 -2.03 -0.05 0.00 1.55 0.00 0.00 64.86 64.67 2qzg h ILE 52 Cb 0.54 2.26 -0.00 0.00 -0.27 0.00 0.00 36.82 39.35 2qzg h ILE 52 CO -0.64 0.48 -0.12 0.58 -1.05 0.00 0.00 178.15 177.40 2qzg h VAL 53 N 0.00 1.33 -0.77 0.16 2.07 -1.82 -2.11 116.25 115.11 2qzg h VAL 53 Ca -0.00 -1.24 0.05 0.00 0.82 0.00 0.00 66.70 66.32 2qzg h VAL 53 Cb 1.22 1.82 -0.05 0.00 -1.52 0.00 0.00 31.29 32.76 2qzg h VAL 53 CO 0.06 0.36 0.48 0.03 0.02 0.00 0.00 177.57 178.52 2qzg h ARG 54 N -0.01 0.88 -0.24 1.57 3.08 -1.04 0.50 114.38 119.11 2qzg h ARG 54 Ca 0.03 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.97 2qzg h ARG 54 Cb 0.63 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 2qzg h ARG 54 CO 0.03 0.58 -0.04 0.77 -1.07 0.00 0.00 179.97 180.24 2qzg h SER 55 N 0.90 0.46 -0.54 7.04 0.02 -1.25 -2.33 113.55 117.86 2qzg h SER 55 Ca 0.32 -0.35 0.01 0.00 -0.84 0.00 0.00 61.79 60.93 2qzg h SER 55 Cb 0.09 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 2qzg h SER 55 CO -0.14 0.71 0.36 0.00 -1.14 0.00 0.00 176.83 176.61 2qzg h ALA 56 N 0.77 1.64 -0.05 3.77 0.00 -0.89 -0.06 119.26 124.44 2qzg h ALA 56 Ca 0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2qzg h ALA 56 Cb 0.50 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2qzg h ALA 56 CO 0.02 0.32 0.00 1.15 0.00 0.00 0.00 179.25 180.75 2qzg h THR 57 N 0.71 1.25 -0.51 0.00 2.02 -0.70 -1.37 112.91 114.30 2qzg h THR 57 Ca 0.20 -0.75 0.04 0.00 0.77 0.00 0.00 66.41 66.67 2qzg h THR 57 Cb -0.04 1.65 -0.04 0.00 -1.74 0.00 0.00 68.15 67.98 2qzg h THR 57 CO -0.05 0.20 0.27 0.00 0.37 0.00 0.00 175.52 176.32 2qzg h ALA 58 N 0.72 0.65 -0.84 6.16 0.00 -1.05 -2.48 119.26 122.43 2qzg h ALA 58 Ca 0.01 0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.05 2qzg h ALA 58 Cb 0.32 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.95 2qzg h ALA 58 CO 0.00 -0.06 0.47 0.82 0.00 0.00 0.00 179.25 180.48 2qzg h ILE 59 N 0.53 0.86 -0.25 0.00 2.04 -0.92 -2.80 117.51 116.98 2qzg h ILE 59 Ca 0.22 -0.26 0.05 0.00 1.00 0.00 0.00 64.86 65.87 2qzg h ILE 59 Cb 0.10 0.04 -0.05 0.00 -0.74 0.00 0.00 36.82 36.18 2qzg h ILE 59 CO -0.14 0.14 -0.05 -0.61 0.00 0.00 0.00 178.15 177.48 2qzg h GLN 60 N 0.75 0.01 -0.94 2.37 5.75 -0.78 0.25 115.11 122.52 2qzg h GLN 60 Ca 0.42 -0.00 0.08 0.00 -0.15 0.00 0.00 58.65 58.99 2qzg h GLN 60 Cb 0.44 -0.00 -0.07 0.00 1.07 0.00 0.00 27.48 28.92 2qzg h GLN 60 CO -0.28 0.00 0.59 1.88 -2.65 0.00 0.00 178.83 178.38 2qzg h TYR 61 N 0.01 1.09 -0.12 3.99 0.05 -1.35 -1.42 116.97 119.22 2qzg h TYR 61 Ca 0.12 0.03 -0.21 0.00 0.05 0.00 0.00 58.73 58.72 2qzg h TYR 61 Cb 0.18 -0.35 0.00 0.00 1.01 0.00 0.00 36.73 37.57 2qzg h TYR 61 CO -0.24 0.53 -0.77 -0.07 -1.05 0.00 0.00 178.16 176.56 2qzg h LEU 62 N 1.04 0.74 -0.56 3.88 3.38 -1.12 -2.75 115.31 119.93 2qzg h LEU 62 Ca 0.42 -0.49 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 2qzg h LEU 62 Cb 0.24 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2qzg h LEU 62 CO -0.20 1.27 0.02 0.44 0.09 0.00 0.00 178.44 180.06 2qzg h ASP 63 N 0.42 0.96 0.28 -0.43 3.32 -0.30 -1.45 116.42 119.22 2qzg h ASP 63 Ca -0.05 -0.30 -0.05 0.00 0.02 0.00 0.00 57.03 56.65 2qzg h ASP 63 Cb 1.37 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 2qzg h ASP 63 CO 0.15 1.02 -0.26 0.44 -1.72 0.00 0.00 179.24 178.86 2qzg h ASP 64 N 0.87 0.00 0.98 6.45 5.19 -1.29 -3.02 116.42 125.60 2qzg h ASP 64 Ca 0.16 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.46 2qzg h ASP 64 Cb 0.52 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.01 2qzg h ASP 64 CO 0.02 0.26 -1.08 -0.29 -3.12 0.00 0.00 179.24 175.03 2qzg h ILE 65 N 0.00 0.44 0.00 0.35 6.09 -1.25 -3.29 117.51 119.85 2qzg h ILE 65 Ca -0.00 -1.79 0.00 0.00 -1.37 0.00 0.00 64.86 61.70 2qzg h ILE 65 Cb 0.47 2.00 0.00 0.00 0.47 0.00 0.00 36.82 39.76 2qzg h ILE 65 CO 0.03 0.25 0.02 -1.54 -3.07 0.00 0.00 178.15 173.85 2qzg n SER 66 N -2.92 0.00 -0.81 2.19 3.41 -0.57 -0.89 113.62 114.04 2qzg n SER 66 Ca -0.05 0.22 0.10 0.00 -0.26 0.00 0.00 58.87 58.88 2qzg n SER 66 Cb 0.74 -0.22 0.09 0.00 -0.26 0.00 0.00 64.21 64.57 2qzg n SER 66 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2qzg n GLU 67 N -1.20 1.79 -1.99 4.33 4.07 -1.24 -4.97 120.64 121.43 2qzg n GLU 67 Ca 0.00 -1.72 -0.42 0.00 -0.06 0.00 0.00 57.16 54.96 2qzg n GLU 67 Cb 0.02 -1.38 -0.03 0.00 -0.06 0.00 0.00 31.44 29.99 2qzg n GLU 67 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 2qzg s ASP 68 N -1.59 6.64 0.27 4.31 -1.08 -0.07 -4.90 116.67 120.25 2qzg s ASP 68 Ca 0.24 2.59 0.24 0.00 -0.52 0.00 0.00 52.55 55.10 2qzg s ASP 68 Cb 0.17 -2.60 0.98 0.00 -1.46 0.00 0.00 42.92 40.00 2qzg s ASP 68 CO 0.25 -0.76 1.73 -0.81 0.52 0.00 0.00 175.17 176.10 2qzg n PRO 69 N 3.48 0.21 -3.66 4.34 -0.04 -1.26 -4.95 135.00 133.12 2qzg n PRO 69 Ca 0.11 0.41 -0.37 0.00 -0.04 0.00 0.00 63.50 63.61 2qzg n PRO 69 Cb 0.40 -1.88 -0.12 0.00 -0.04 0.00 0.00 33.50 31.85 2qzg n PRO 69 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2qzg s ASN 70 N -4.35 5.63 0.04 3.54 0.01 -1.26 -5.18 114.94 113.37 2qzg s ASN 70 Ca 0.05 -0.12 0.03 0.00 -0.71 0.00 0.00 52.86 52.11 2qzg s ASN 70 Cb 0.10 -2.03 -0.02 0.00 0.41 0.00 0.00 41.25 39.70 2qzg s ASN 70 CO 0.42 -0.05 -0.10 -2.84 -1.51 0.00 0.00 177.10 173.03 2qzg s PRO 72 N 1.69 0.63 0.18 -0.60 0.02 -1.26 -4.78 135.00 130.88 2qzg s PRO 72 Ca 0.07 -0.71 -0.24 0.00 0.02 0.00 0.00 61.00 60.14 2qzg s PRO 72 Cb -0.16 -0.51 0.07 0.00 0.02 0.00 0.00 34.50 33.92 2qzg s PRO 72 CO 0.08 0.11 1.57 0.82 -0.33 0.00 0.00 177.00 179.25 2qzg h ILE 73 N 4.54 0.10 -0.45 2.83 2.04 -2.02 -0.53 117.51 124.02 2qzg h ILE 73 Ca -0.36 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.42 2qzg h ILE 73 Cb 1.19 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 2qzg h ILE 73 CO 0.42 0.00 -0.06 1.12 0.00 0.00 0.00 178.15 179.63 2qzg h HIS 74 N -0.20 0.85 -0.46 1.37 2.07 -2.03 -2.38 115.15 114.37 2qzg h HIS 74 Ca 0.20 -0.14 -0.13 0.00 -2.85 0.00 0.00 60.37 57.45 2qzg h HIS 74 Cb 0.56 -0.22 -0.01 0.00 2.57 0.00 0.00 27.41 30.30 2qzg h HIS 74 CO -0.70 0.82 -0.23 1.15 -3.07 0.00 0.00 177.93 175.90 2qzg h THR 75 N 0.72 1.27 -0.67 6.12 2.02 -1.85 -1.30 112.91 119.22 2qzg h THR 75 Ca 0.13 -1.39 0.04 0.00 0.77 0.00 0.00 66.41 65.96 2qzg h THR 75 Cb 0.53 1.15 -0.04 0.00 -1.74 0.00 0.00 68.15 68.05 2qzg h THR 75 CO 0.03 0.48 0.41 -0.09 0.37 0.00 0.00 175.52 176.71 2qzg h ARG 76 N 0.82 0.77 -0.45 6.66 2.43 -0.81 0.12 114.38 123.91 2qzg h ARG 76 Ca 0.10 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 2qzg h ARG 76 Cb 0.80 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.16 2qzg h ARG 76 CO 0.07 0.51 0.14 1.15 -1.51 0.00 0.00 179.97 180.32 2qzg h THR 77 N 0.79 1.23 -0.22 0.20 2.02 -1.12 -0.39 112.91 115.41 2qzg h THR 77 Ca 0.27 -0.75 -0.00 0.00 0.77 0.00 0.00 66.41 66.70 2qzg h THR 77 Cb 0.05 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 2qzg h THR 77 CO -0.12 0.27 0.12 1.56 0.37 0.00 0.00 175.52 177.72 2qzg h GLN 78 N 0.60 0.31 -0.65 6.66 4.20 -0.80 -2.31 115.11 123.12 2qzg h GLN 78 Ca 0.15 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 2qzg h GLN 78 Cb 0.28 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.97 2qzg h GLN 78 CO -0.00 0.29 0.36 0.82 -0.67 0.00 0.00 178.83 179.63 2qzg h ILE 79 N 0.25 1.19 -0.69 2.54 2.04 -0.83 -1.70 117.51 120.32 2qzg h ILE 79 Ca 0.08 -0.47 -0.05 0.00 1.00 0.00 0.00 64.86 65.42 2qzg h ILE 79 Cb 0.07 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.43 2qzg h ILE 79 CO -0.01 0.21 0.24 -0.25 0.00 0.00 0.00 178.15 178.34 2qzg h TRP 80 N 0.90 1.08 -0.03 1.37 7.01 -0.80 -0.65 115.95 124.84 2qzg h TRP 80 Ca 0.23 -0.10 0.02 0.00 2.11 0.00 0.00 58.89 61.15 2qzg h TRP 80 Cb 0.01 -0.32 -0.02 0.00 -2.10 0.00 0.00 29.16 26.73 2qzg h TRP 80 CO 0.01 0.86 -0.06 0.78 -2.79 0.00 0.00 178.44 177.23 2qzg h GLY 81 N 1.00 -0.04 0.49 2.65 0.00 -0.87 -0.42 103.07 105.87 2qzg h GLY 81 Ca 0.23 0.07 0.03 0.00 0.00 0.00 0.00 47.33 47.66 2qzg h GLY 81 CO -0.01 -0.07 -0.21 -2.22 0.00 0.00 0.00 176.54 174.02 2qzg h ILE 82 N -0.10 0.49 -0.09 2.60 2.04 -1.16 -1.55 117.51 119.74 2qzg h ILE 82 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.90 2qzg h ILE 82 Cb 0.15 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 2qzg h ILE 82 CO -0.09 0.00 0.05 0.58 0.00 0.00 0.00 178.15 178.69 2qzg h VAL 83 N -0.34 1.00 -0.65 1.67 2.07 -1.09 0.11 116.25 119.02 2qzg h VAL 83 Ca 0.06 -0.03 0.13 0.00 0.82 0.00 0.00 66.70 67.68 2qzg h VAL 83 Cb 0.42 0.89 -0.10 0.00 -1.52 0.00 0.00 31.29 30.99 2qzg h VAL 83 CO -0.20 0.02 0.13 0.28 0.02 0.00 0.00 177.57 177.81 2qzg h SER 84 N 0.10 -0.03 -0.35 0.57 0.02 -0.99 -0.76 113.55 112.11 2qzg h SER 84 Ca 0.04 0.13 -0.07 0.00 -0.84 0.00 0.00 61.79 61.05 2qzg h SER 84 Cb 0.00 0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 2qzg h SER 84 CO -0.02 -0.02 -0.06 -0.33 -1.14 0.00 0.00 176.83 175.25 2qzg h GLU 85 N 0.24 0.66 -0.57 3.45 5.08 -0.95 -2.94 114.58 119.55 2qzg h GLU 85 Ca 0.35 -0.24 0.10 0.00 -1.00 0.00 0.00 59.36 58.57 2qzg h GLU 85 Cb 0.56 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 2qzg h GLU 85 CO -0.46 0.81 0.39 -0.07 -1.00 0.00 0.00 179.01 178.67 2qzg h LEU 86 N 0.45 0.32 0.00 1.33 3.38 -0.01 -1.08 115.31 119.70 2qzg h LEU 86 Ca 0.09 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2qzg h LEU 86 Cb 0.55 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2qzg h LEU 86 CO 0.03 0.19 0.00 -0.62 0.09 0.00 0.00 178.44 178.13 2qzg n GLU 87 N -4.46 0.39 0.01 1.13 1.02 -0.36 -2.33 120.64 116.03 2qzg n GLU 87 Ca 0.09 0.06 0.11 0.00 -0.02 0.00 0.00 57.16 57.41 2qzg n GLU 87 Cb 0.38 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.36 2qzg n GLU 87 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2qzg n THR 88 N -1.23 0.06 -2.28 2.62 -2.24 -0.41 -4.80 114.28 106.00 2qzg n THR 88 Ca 0.12 -0.09 -0.41 0.00 -2.27 0.00 0.00 64.05 61.40 2qzg n THR 88 Cb 0.16 0.47 -0.03 0.00 -2.10 0.00 0.00 70.33 68.83 2qzg n THR 88 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2qzg s ILE 89 N -3.07 3.66 0.00 2.28 1.01 -0.98 -5.15 121.20 118.94 2qzg s ILE 89 Ca 0.07 0.55 0.00 0.00 0.00 0.00 0.00 60.65 61.28 2qzg s ILE 89 Cb 0.16 -4.25 0.00 0.00 0.01 0.00 0.00 42.46 38.37 2qzg s ILE 89 CO 0.79 -1.04 0.00 1.17 0.00 0.00 0.00 174.94 175.86