#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qan n LYS 2 N 0.00 -2.97 -0.39 0.00 4.76 -1.26 -3.42 118.16 114.87 2qan n LYS 2 Ca 0.00 2.42 -0.05 0.00 -2.87 0.00 0.00 58.31 57.81 2qan n LYS 2 Cb 0.00 -3.72 -0.02 0.00 -1.84 0.00 0.00 35.03 29.45 2qan n LYS 2 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 2qan n GLN 3 N 1.50 -0.31 -0.18 1.97 -0.06 -1.26 0.29 117.38 119.32 2qan n GLN 3 Ca -0.15 1.49 -0.09 0.00 -2.00 0.00 0.00 57.00 56.25 2qan n GLN 3 Cb 0.32 -2.20 -0.04 0.00 -4.06 0.00 0.00 30.24 24.26 2qan n GLN 3 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 2qan h SER 4 N 0.00 -1.45 -0.55 1.69 4.64 -2.00 -0.09 113.55 115.78 2qan h SER 4 Ca 0.26 0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 2qan h SER 4 Cb 0.51 0.65 -0.03 0.00 -0.31 0.00 0.00 62.40 63.22 2qan h SER 4 CO -0.94 -0.34 0.35 0.24 -0.87 0.00 0.00 176.83 175.26 2qan h MET 5 N -0.25 0.74 -1.00 4.77 2.86 -0.89 -1.13 114.93 120.03 2qan h MET 5 Ca 0.17 -0.06 0.20 0.00 -2.06 0.00 0.00 59.70 57.95 2qan h MET 5 Cb 0.57 -0.16 -0.11 0.00 0.06 0.00 0.00 31.60 31.96 2qan h MET 5 CO -0.65 0.52 0.61 -0.22 1.06 0.00 0.00 176.91 178.23 2qan h LYS 6 N 0.75 0.68 0.00 1.72 3.64 0.16 0.22 116.57 123.74 2qan h LYS 6 Ca 0.20 -0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 59.38 2qan h LYS 6 Cb -0.04 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.60 2qan h LYS 6 CO -0.04 0.45 -0.91 0.00 -2.27 0.00 0.00 179.45 176.68 2qan h ALA 7 N 1.65 0.59 -0.74 5.00 0.00 -0.89 -3.30 119.26 121.56 2qan h ALA 7 Ca 0.58 -0.74 0.12 0.00 0.00 0.00 0.00 54.91 54.87 2qan h ALA 7 Cb 0.99 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.71 2qan h ALA 7 CO -0.37 0.93 0.35 -0.09 0.00 0.00 0.00 179.25 180.07 2qan h ARG 8 N 0.00 0.54 0.21 0.00 2.43 0.70 -2.04 114.38 116.22 2qan h ARG 8 Ca -0.06 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.07 2qan h ARG 8 Cb 1.58 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 31.01 2qan h ARG 8 CO 0.08 0.35 -0.10 1.49 -1.51 0.00 0.00 179.97 180.29 2qan h GLU 9 N 0.55 -0.27 -0.52 0.20 4.57 -1.51 -3.18 114.58 114.43 2qan h GLU 9 Ca 0.39 0.02 0.09 0.00 -1.18 0.00 0.00 59.36 58.68 2qan h GLU 9 Cb 0.49 0.06 -0.10 0.00 -0.16 0.00 0.00 28.75 29.04 2qan h GLU 9 CO -0.33 -0.17 -0.36 0.28 -1.18 0.00 0.00 179.01 177.26 2qan h VAL 10 N -0.29 0.17 -0.53 0.32 2.07 -1.50 -1.70 116.25 114.78 2qan h VAL 10 Ca -0.03 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.60 2qan h VAL 10 Cb 0.22 0.17 -0.09 0.00 -1.52 0.00 0.00 31.29 30.07 2qan h VAL 10 CO 0.05 0.00 0.02 0.11 0.02 0.00 0.00 177.57 177.77 2qan h LYS 11 N -0.21 0.14 -0.09 1.57 1.79 -1.49 0.14 116.57 118.41 2qan h LYS 11 Ca 0.20 -0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.69 2qan h LYS 11 Cb 0.55 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.17 2qan h LYS 11 CO -0.64 0.09 0.07 0.00 -1.08 0.00 0.00 179.45 177.90 2qan h ARG 12 N 0.14 0.00 0.55 3.15 3.08 -1.31 -2.00 114.38 117.99 2qan h ARG 12 Ca 0.27 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.30 2qan h ARG 12 Cb 0.42 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.47 2qan h ARG 12 CO -0.43 0.00 -0.26 0.28 -1.07 0.00 0.00 179.97 178.48 2qan h VAL 13 N 0.00 0.00 -0.25 2.04 2.07 -0.24 -2.64 116.25 117.23 2qan h VAL 13 Ca 0.04 -0.34 0.06 0.00 0.82 0.00 0.00 66.70 67.28 2qan h VAL 13 Cb 0.19 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.88 2qan h VAL 13 CO -0.00 0.00 -0.36 0.00 0.02 0.00 0.00 177.57 177.23 2qan h ALA 14 N -1.32 -0.38 -0.38 1.67 0.00 -1.18 -2.44 119.26 115.23 2qan h ALA 14 Ca -0.08 0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.95 2qan h ALA 14 Cb 0.56 0.72 -0.09 0.00 0.00 0.00 0.00 17.79 18.99 2qan h ALA 14 CO 0.12 -0.82 -0.42 -0.07 0.00 0.00 0.00 179.25 178.07 2qan h LEU 15 N -0.37 -1.39 -1.40 0.00 3.38 -1.47 0.47 115.31 114.54 2qan h LEU 15 Ca 0.12 0.21 0.26 0.00 0.09 0.00 0.00 57.88 58.55 2qan h LEU 15 Cb 0.57 0.61 -0.09 0.00 0.09 0.00 0.00 40.66 41.84 2qan h LEU 15 CO -0.45 -0.37 0.66 0.00 0.09 0.00 0.00 178.44 178.37 2qan h ALA 16 N 0.42 2.23 0.00 1.53 0.00 -1.06 -0.86 119.26 121.53 2qan h ALA 16 Ca 0.13 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2qan h ALA 16 Cb 0.58 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2qan h ALA 16 CO -0.55 -0.62 -0.19 -0.44 0.00 0.00 0.00 179.25 177.45 2qan h ASP 17 N 0.40 0.00 0.00 0.00 3.32 -0.68 -1.53 116.42 117.93 2qan h ASP 17 Ca 0.57 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.62 2qan h ASP 17 Cb 1.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.00 2qan h ASP 17 CO -0.27 0.58 0.10 0.29 -1.72 0.00 0.00 179.24 178.22 2qan n LYS 18 N -4.66 0.00 0.00 3.56 5.02 0.15 -3.44 118.16 118.79 2qan n LYS 18 Ca -0.03 0.22 0.00 0.00 -2.02 0.00 0.00 58.31 56.49 2qan n LYS 18 Cb 0.10 -1.60 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 2qan n LYS 18 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2qan n TYR 19 N -1.17 0.00 -0.43 2.13 4.02 -0.34 -4.93 117.16 116.43 2qan n TYR 19 Ca 0.00 0.00 0.36 0.00 -0.01 0.00 0.00 57.90 58.25 2qan n TYR 19 Cb 0.10 0.00 0.60 0.00 -0.02 0.00 0.00 39.34 40.02 2qan n TYR 19 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 2qan n PHE 20 N 0.00 0.53 -0.32 -0.72 3.72 -1.20 -0.76 117.46 118.71 2qan n PHE 20 Ca 0.00 0.53 0.18 0.00 -0.05 0.00 0.00 57.45 58.11 2qan n PHE 20 Cb 0.00 -0.95 0.36 0.00 -0.94 0.00 0.00 39.48 37.95 2qan n PHE 20 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2qan h ALA 21 N 1.30 1.46 -0.04 4.37 0.00 -1.30 0.84 119.26 125.90 2qan h ALA 21 Ca 0.76 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.95 2qan h ALA 21 Cb 2.55 0.41 0.00 0.00 0.00 0.00 0.00 17.79 20.74 2qan h ALA 21 CO -0.35 -0.61 0.00 1.63 0.00 0.00 0.00 179.25 179.92 2qan n LYS 22 N -5.31 1.85 0.00 0.00 4.76 0.06 -4.71 118.16 114.80 2qan n LYS 22 Ca 0.26 -2.37 0.00 0.00 -2.87 0.00 0.00 58.31 53.33 2qan n LYS 22 Cb 0.85 -1.43 0.00 0.00 -1.84 0.00 0.00 35.03 32.61 2qan n LYS 22 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2qan n ARG 23 N -1.09 0.26 0.12 1.97 1.74 0.35 -4.78 116.66 115.23 2qan n ARG 23 Ca 0.13 0.00 0.19 0.00 -0.77 0.00 0.00 57.85 57.41 2qan n ARG 23 Cb 0.58 -0.73 0.69 0.00 -1.02 0.00 0.00 32.46 31.98 2qan n ARG 23 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qan h ALA 24 N 0.00 2.04 -1.25 7.54 0.00 0.33 -0.72 119.26 127.20 2qan h ALA 24 Ca 0.00 -0.01 0.36 0.00 0.00 0.00 0.00 54.91 55.26 2qan h ALA 24 Cb 0.46 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 2qan h ALA 24 CO 0.00 -0.73 0.88 1.05 0.00 0.00 0.00 179.25 180.44 2qan h GLU 25 N 0.00 0.09 -0.62 0.00 9.09 -1.87 -2.27 114.58 119.01 2qan h GLU 25 Ca 0.18 -0.01 0.22 0.00 0.05 0.00 0.00 59.36 59.81 2qan h GLU 25 Cb 1.25 -0.02 -0.11 0.00 -1.65 0.00 0.00 28.75 28.22 2qan h GLU 25 CO -0.00 0.06 0.20 -0.11 0.05 0.00 0.00 179.01 179.21 2qan n LEU 26 N -4.30 0.10 0.00 3.06 0.00 -0.28 -1.16 117.00 114.42 2qan n LEU 26 Ca 0.29 1.03 0.00 0.00 0.00 0.00 0.00 56.01 57.33 2qan n LEU 26 Cb 1.27 -0.45 0.00 0.00 0.00 0.00 0.00 43.42 44.24 2qan n LEU 26 CO 0.36 -1.11 0.47 2.29 0.00 0.00 0.00 177.39 179.39 2qan n LYS 27 N -4.56 0.00 0.03 1.96 2.85 -0.85 -0.44 118.16 117.15 2qan n LYS 27 Ca 0.20 0.70 0.02 0.00 -1.05 0.00 0.00 58.31 58.18 2qan n LYS 27 Cb 0.66 -1.44 0.11 0.00 -0.65 0.00 0.00 35.03 33.72 2qan n LYS 27 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2qan n ALA 28 N -2.31 0.90 -1.74 0.58 0.00 -0.31 -0.70 120.51 116.92 2qan n ALA 28 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2qan n ALA 28 Cb 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.50 2qan n ALA 28 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2qan n ILE 29 N -1.61 0.00 0.12 0.00 5.41 0.42 -4.41 119.36 119.29 2qan n ILE 29 Ca -0.00 0.00 0.07 0.00 1.00 0.00 0.00 62.75 63.82 2qan n ILE 29 Cb 0.07 0.00 0.39 0.00 -0.71 0.00 0.00 39.64 39.38 2qan n ILE 29 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 2qan n ILE 30 N 0.00 1.14 -0.98 1.39 -0.00 -0.67 -0.59 119.36 119.66 2qan n ILE 30 Ca 0.00 0.68 0.06 0.00 -0.00 0.00 0.00 62.75 63.49 2qan n ILE 30 Cb 0.00 -1.68 0.33 0.00 -0.00 0.00 0.00 39.64 38.29 2qan n ILE 30 CO 0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 176.55 175.35 2qan n SER 31 N -2.00 4.79 -4.30 4.38 7.64 -0.52 0.17 113.62 123.78 2qan n SER 31 Ca -0.01 -3.03 -0.16 0.00 1.01 0.00 0.00 58.87 56.68 2qan n SER 31 Cb 0.10 -0.63 -0.10 0.00 -1.01 0.00 0.00 64.21 62.56 2qan n SER 31 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2qan s ASP 32 N -1.35 1.64 -0.63 6.43 -1.08 0.25 -2.98 116.67 118.95 2qan s ASP 32 Ca 0.49 -1.19 -0.26 0.00 -0.52 0.00 0.00 52.55 51.07 2qan s ASP 32 Cb 0.39 0.04 -0.08 0.00 -1.46 0.00 0.00 42.92 41.81 2qan s ASP 32 CO 0.12 -0.51 2.30 -0.69 0.52 0.00 0.00 175.17 176.91 2qan s VAL 33 N -3.48 3.09 0.00 1.11 1.01 -1.26 -2.19 120.40 118.67 2qan s VAL 33 Ca 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.24 2qan s VAL 33 Cb 0.05 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 33.21 2qan s VAL 33 CO 0.07 -0.22 0.00 0.59 0.00 0.00 0.00 175.10 175.54 2qan n ASN 34 N 16.15 0.00 0.03 3.32 4.13 -1.26 -5.04 115.26 132.58 2qan n ASN 34 Ca 0.38 0.00 0.11 0.00 1.68 0.00 0.00 54.58 56.75 2qan n ASN 34 Cb 0.50 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.67 2qan n ASN 34 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2qan n ALA 35 N -3.00 3.13 -2.99 5.41 0.00 -1.26 -5.19 120.51 116.61 2qan n ALA 35 Ca 0.00 -0.43 -0.04 0.00 0.00 0.00 0.00 53.44 52.97 2qan n ALA 35 Cb 0.00 -0.89 0.02 0.00 0.00 0.00 0.00 19.45 18.57 2qan n ALA 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qan n ARG 40 N -2.18 -1.46 -3.53 0.00 3.00 0.13 -5.06 116.66 107.57 2qan n ARG 40 Ca -0.01 1.26 -0.24 0.00 -0.01 0.00 0.00 57.85 58.85 2qan n ARG 40 Cb 0.50 -5.47 -0.14 0.00 0.00 0.00 0.00 32.46 27.35 2qan n ARG 40 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.63 177.17 2qan s TRP 41 N -3.10 0.01 0.38 -1.55 -0.00 -0.83 -4.91 118.94 108.94 2qan s TRP 41 Ca 0.12 -0.32 0.12 0.00 -0.00 0.00 0.00 56.10 56.01 2qan s TRP 41 Cb -0.02 -0.63 0.91 0.00 -0.00 0.00 0.00 33.47 33.73 2qan s TRP 41 CO 0.69 -0.69 1.88 -0.97 -0.00 0.00 0.00 176.95 177.86 2qan h ASN 42 N 8.36 0.56 0.64 5.86 -0.00 -1.97 0.28 115.58 129.32 2qan h ASN 42 Ca -0.17 0.04 -0.03 0.00 -0.00 0.00 0.00 56.30 56.14 2qan h ASN 42 Cb 1.10 -0.07 0.01 0.00 -0.00 0.00 0.00 38.32 39.35 2qan h ASN 42 CO 0.34 0.28 -0.31 0.00 -0.00 0.00 0.00 177.43 177.74 2qan h ALA 43 N 1.61 -0.86 -0.16 1.57 0.00 -1.97 -2.02 119.26 117.43 2qan h ALA 43 Ca 0.43 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 2qan h ALA 43 Cb 0.81 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2qan h ALA 43 CO -0.18 -0.93 -0.05 -0.24 0.00 0.00 0.00 179.25 177.85 2qan h VAL 44 N -0.97 1.14 0.00 0.00 3.04 -1.77 -1.14 116.25 116.56 2qan h VAL 44 Ca -0.09 -0.57 0.00 0.00 -1.01 0.00 0.00 66.70 65.03 2qan h VAL 44 Cb 0.69 1.08 0.00 0.00 -2.01 0.00 0.00 31.29 31.05 2qan h VAL 44 CO 0.14 0.18 0.00 0.25 -1.01 0.00 0.00 177.57 177.14 2qan h LEU 45 N 0.23 0.00 0.00 3.16 6.46 -0.25 -1.71 115.31 123.20 2qan h LEU 45 Ca 0.05 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 2qan h LEU 45 Cb 0.25 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.18 2qan h LEU 45 CO 0.01 0.00 -0.95 0.29 -0.62 0.00 0.00 178.44 177.17 2qan n LYS 46 N -3.03 0.24 -0.00 1.25 5.02 -0.46 -4.20 118.16 116.98 2qan n LYS 46 Ca -0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 2qan n LYS 46 Cb 0.23 -1.58 0.03 0.00 -0.02 0.00 0.00 35.03 33.69 2qan n LYS 46 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2qan h LEU 47 N 0.00 0.68 -0.31 -0.35 5.85 -1.01 -3.16 115.31 117.01 2qan h LEU 47 Ca 0.00 -0.38 0.00 0.00 0.84 0.00 0.00 57.88 58.34 2qan h LEU 47 Cb 0.69 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.53 2qan h LEU 47 CO 0.00 1.12 0.34 0.00 -0.34 0.00 0.00 178.44 179.56 2qan n GLN 48 N -3.95 0.03 -2.49 1.25 -0.00 -1.23 -4.24 117.38 106.75 2qan n GLN 48 Ca -0.04 0.37 -0.41 0.00 -0.00 0.00 0.00 57.00 56.93 2qan n GLN 48 Cb 0.63 -1.95 -0.03 0.00 -0.00 0.00 0.00 30.24 28.89 2qan n GLN 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 2qan s THR 49 N -2.82 3.68 0.00 -0.39 2.01 -1.20 -3.96 115.64 112.96 2qan s THR 49 Ca -0.01 0.39 0.00 0.00 0.31 0.00 0.00 61.69 62.39 2qan s THR 49 Cb 0.01 -4.81 0.00 0.00 0.01 0.00 0.00 72.50 67.71 2qan s THR 49 CO 0.04 -1.75 0.00 -0.11 -0.69 0.00 0.00 174.62 172.11 2qan n LEU 50 N 9.74 0.00 -0.05 4.42 7.94 -1.26 -5.03 117.00 132.76 2qan n LEU 50 Ca 0.05 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.93 2qan n LEU 50 Cb 0.49 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.42 2qan n LEU 50 CO 0.71 0.00 0.06 1.55 -1.11 0.00 0.00 177.39 178.60 2qan h PRO 51 N 0.00 0.00 0.00 1.96 0.13 -1.91 -3.48 132.00 128.70 2qan h PRO 51 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2qan h PRO 51 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2qan h PRO 51 CO 0.00 0.17 0.00 -2.13 -0.23 0.00 0.00 178.00 175.81 2qan n ARG 52 N -4.75 0.00 0.00 0.86 3.00 -1.26 -3.47 116.66 111.03 2qan n ARG 52 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.83 2qan n ARG 52 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.54 2qan n ARG 52 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2qan n ASP 53 N 3.44 0.00 0.00 6.15 8.00 -1.26 -0.49 116.55 132.39 2qan n ASP 53 Ca 0.00 0.38 0.09 0.00 0.71 0.00 0.00 54.79 55.96 2qan n ASP 53 Cb 0.00 -0.38 0.39 0.00 -0.02 0.00 0.00 41.12 41.12 2qan n ASP 53 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2qan n SER 54 N -1.37 0.00 -4.77 -2.24 2.88 -1.23 -4.27 113.62 102.63 2qan n SER 54 Ca 0.00 0.47 -0.40 0.00 -1.33 0.00 0.00 58.87 57.61 2qan n SER 54 Cb 0.05 -0.49 -0.01 0.00 -0.75 0.00 0.00 64.21 63.01 2qan n SER 54 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2qan s SER 55 N -2.97 6.54 0.11 -3.46 0.01 0.36 -3.65 113.70 110.64 2qan s SER 55 Ca 0.09 2.58 -0.12 0.00 1.31 0.00 0.00 55.95 59.81 2qan s SER 55 Cb 0.12 -2.64 -0.12 0.00 0.21 0.00 0.00 66.02 63.60 2qan s SER 55 CO 0.33 -0.68 1.36 1.55 0.41 0.00 0.00 173.24 176.21 2qan h PRO 56 N 2.94 0.84 -2.01 12.44 0.13 -1.90 -3.29 132.00 141.15 2qan h PRO 56 Ca -0.49 -0.59 -0.00 0.00 -0.87 0.00 0.00 66.00 64.05 2qan h PRO 56 Cb 1.24 0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.46 2qan h PRO 56 CO 0.64 1.21 -0.00 0.43 -0.23 0.00 0.00 178.00 180.04 2qan n SER 57 N -4.00 3.40 0.00 1.44 7.64 -1.26 -3.18 113.62 117.66 2qan n SER 57 Ca -0.06 -1.90 0.00 0.00 1.01 0.00 0.00 58.87 57.92 2qan n SER 57 Cb 0.67 -0.72 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 2qan n SER 57 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2qan n ARG 58 N 1.71 1.40 -2.31 1.43 1.74 -1.24 -5.06 116.66 114.33 2qan n ARG 58 Ca 0.01 -0.26 -0.25 0.00 -0.77 0.00 0.00 57.85 56.58 2qan n ARG 58 Cb 0.33 -0.72 0.09 0.00 -1.02 0.00 0.00 32.46 31.14 2qan n ARG 58 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2qan s GLN 59 N -0.27 1.89 0.00 5.56 1.11 -1.19 -5.03 119.66 121.73 2qan s GLN 59 Ca 0.00 -0.55 0.00 0.00 0.01 0.00 0.00 55.36 54.82 2qan s GLN 59 Cb 0.00 -2.20 0.00 0.00 -1.01 0.00 0.00 33.01 29.80 2qan s GLN 59 CO 0.00 -1.39 0.82 2.89 0.01 0.00 0.00 175.29 177.61 2qan n ARG 60 N -2.95 0.00 0.00 2.91 1.85 -1.26 -5.06 116.66 112.15 2qan n ARG 60 Ca 0.11 -0.73 0.00 0.00 -1.00 0.00 0.00 57.85 56.22 2qan n ARG 60 Cb 0.60 -0.40 0.00 0.00 -1.05 0.00 0.00 32.46 31.61 2qan n ARG 60 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2qan n ASN 61 N 0.00 0.00 -1.11 2.89 4.13 -1.26 -4.75 115.26 115.16 2qan n ASN 61 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 2qan n ASN 61 Cb 0.63 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.87 2qan n ASN 61 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2qan n ARG 62 N 0.00 -2.93 -1.97 3.52 1.74 -1.26 -4.71 116.66 111.06 2qan n ARG 62 Ca 0.00 2.27 -0.42 0.00 -0.77 0.00 0.00 57.85 58.93 2qan n ARG 62 Cb 0.00 -2.83 -0.03 0.00 -1.02 0.00 0.00 32.46 28.58 2qan n ARG 62 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qan h ARG 64 N 9.95 0.42 0.72 0.00 9.65 -1.82 0.26 114.38 133.56 2qan h ARG 64 Ca -0.40 -0.03 -0.04 0.00 -1.10 0.00 0.00 59.98 58.42 2qan h ARG 64 Cb 1.18 -0.09 0.01 0.00 -1.39 0.00 0.00 29.97 29.68 2qan h ARG 64 CO 0.96 0.28 -0.35 1.96 2.80 0.00 0.00 179.97 185.62 2qan h GLN 65 N 0.43 -0.94 0.00 0.20 7.50 -1.89 -3.43 115.11 116.98 2qan h GLN 65 Ca 0.37 0.06 0.00 0.00 0.50 0.00 0.00 58.65 59.59 2qan h GLN 65 Cb 0.53 0.21 0.00 0.00 0.05 0.00 0.00 27.48 28.27 2qan h GLN 65 CO -0.37 -0.62 0.00 0.25 -1.50 0.00 0.00 178.83 176.59 2qan n THR 66 N -4.91 0.00 0.00 -0.54 -2.24 -0.87 -5.08 114.28 100.63 2qan n THR 66 Ca -0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 2qan n THR 66 Cb 0.38 -0.88 0.00 0.00 -2.10 0.00 0.00 70.33 67.74 2qan n THR 66 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qan n GLY 67 N 2.66 -0.20 3.36 3.38 0.00 0.87 -4.70 105.19 110.56 2qan n GLY 67 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.49 2qan n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qan n ARG 68 N 0.00 0.27 0.26 1.61 1.74 -1.26 -3.22 116.66 116.06 2qan n ARG 68 Ca 0.00 0.06 0.10 0.00 -0.77 0.00 0.00 57.85 57.24 2qan n ARG 68 Cb 0.00 -1.78 0.69 0.00 -1.02 0.00 0.00 32.46 30.35 2qan n ARG 68 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2qan h PRO 69 N 10.79 0.00 0.00 5.56 0.13 -1.92 -3.01 132.00 143.54 2qan h PRO 69 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 2qan h PRO 69 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 2qan h PRO 69 CO 1.14 0.06 0.00 0.72 -0.23 0.00 0.00 178.00 179.69 2qan n HIS 70 N -4.18 0.00 -1.08 1.56 8.25 -1.26 -4.59 115.22 113.91 2qan n HIS 70 Ca -0.03 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.13 2qan n HIS 70 Cb 0.14 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.15 2qan n HIS 70 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2qan n GLY 71 N 4.35 -0.34 3.06 -1.41 0.00 -1.26 -4.86 105.19 104.73 2qan n GLY 71 Ca 0.00 0.84 -0.10 0.00 0.00 0.00 0.00 46.02 46.77 2qan n GLY 71 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2qan s PHE 72 N 6.45 0.18 -0.26 1.61 2.19 -1.26 -1.91 117.98 124.98 2qan s PHE 72 Ca 0.99 -0.42 -0.04 0.00 0.33 0.00 0.00 56.93 57.79 2qan s PHE 72 Cb -0.93 -0.14 0.09 0.00 -1.31 0.00 0.00 43.02 40.73 2qan s PHE 72 CO 0.36 -0.28 0.12 -0.51 1.83 0.00 0.00 175.22 176.75 2qan s LEU 73 N -1.68 0.53 0.33 6.12 1.43 -1.05 -4.84 118.68 119.52 2qan s LEU 73 Ca -0.12 -1.15 0.10 0.00 -1.03 0.00 0.00 54.13 51.93 2qan s LEU 73 Cb -0.06 -0.34 1.01 0.00 0.03 0.00 0.00 46.19 46.83 2qan s LEU 73 CO -0.01 -0.42 1.56 0.54 0.23 0.00 0.00 176.35 178.24 2qan n ARG 74 N 5.25 -0.07 0.00 1.70 1.74 -1.26 0.20 116.66 124.21 2qan n ARG 74 Ca -0.06 1.43 0.00 0.00 -0.77 0.00 0.00 57.85 58.45 2qan n ARG 74 Cb 0.43 -2.40 0.00 0.00 -1.02 0.00 0.00 32.46 29.48 2qan n ARG 74 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2qan n LYS 75 N -5.38 0.00 0.10 5.56 3.00 -1.26 -2.80 118.16 117.38 2qan n LYS 75 Ca 0.29 0.74 0.13 0.00 -0.00 0.00 0.00 58.31 59.47 2qan n LYS 75 Cb 0.98 -1.44 0.42 0.00 0.00 0.00 0.00 35.03 34.99 2qan n LYS 75 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 2qan n PHE 76 N -2.39 0.87 -1.08 5.64 0.99 -0.85 -4.91 117.46 115.73 2qan n PHE 76 Ca 0.00 0.26 -0.03 0.00 -0.00 0.00 0.00 57.45 57.68 2qan n PHE 76 Cb 0.00 -0.92 -0.01 0.00 -1.00 0.00 0.00 39.48 37.55 2qan n PHE 76 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2qan n GLY 77 N 1.23 0.41 3.75 1.37 0.00 0.13 -4.98 105.19 107.10 2qan n GLY 77 Ca 0.05 -0.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 2qan n GLY 77 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qan s LEU 78 N -0.60 3.20 0.54 0.99 1.02 -1.25 -3.08 118.68 119.49 2qan s LEU 78 Ca 0.00 -0.92 -0.16 0.00 0.02 0.00 0.00 54.13 53.07 2qan s LEU 78 Cb 0.00 -1.63 -0.07 0.00 0.02 0.00 0.00 46.19 44.51 2qan s LEU 78 CO 0.00 -0.45 1.00 -0.94 0.02 0.00 0.00 176.35 175.98 2qan s SER 79 N -3.90 6.46 0.50 2.29 1.04 -1.25 -2.54 113.70 116.30 2qan s SER 79 Ca 0.40 1.59 0.36 0.00 0.48 0.00 0.00 55.95 58.79 2qan s SER 79 Cb 0.00 -2.51 1.51 0.00 0.10 0.00 0.00 66.02 65.12 2qan s SER 79 CO 0.23 -0.70 1.69 0.08 0.98 0.00 0.00 173.24 175.53 2qan h ARG 80 N 0.74 0.07 0.12 4.02 0.11 -1.71 -2.10 114.38 115.64 2qan h ARG 80 Ca -0.47 -0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.60 2qan h ARG 80 Cb 1.19 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.25 2qan h ARG 80 CO 0.61 0.05 -0.06 0.82 0.10 0.00 0.00 179.97 181.49 2qan h ILE 81 N 0.08 0.00 -0.88 0.08 2.04 -1.91 -3.30 117.51 113.62 2qan h ILE 81 Ca 0.73 -0.48 0.23 0.00 1.00 0.00 0.00 64.86 66.34 2qan h ILE 81 Cb 2.64 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 38.58 2qan h ILE 81 CO -0.15 0.00 0.26 0.11 0.00 0.00 0.00 178.15 178.37 2qan h LYS 82 N -0.65 0.23 -0.27 2.37 1.79 -1.82 -0.71 116.57 117.51 2qan h LYS 82 Ca -0.02 -0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.47 2qan h LYS 82 Cb 0.13 -0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 30.67 2qan h LYS 82 CO 0.03 0.15 -0.41 0.28 -1.08 0.00 0.00 179.45 178.42 2qan h VAL 83 N 0.24 0.00 -0.39 0.50 2.07 -1.53 0.35 116.25 117.48 2qan h VAL 83 Ca 0.55 0.00 0.06 0.00 0.82 0.00 0.00 66.70 68.13 2qan h VAL 83 Cb 1.10 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 2qan h VAL 83 CO -0.63 0.00 0.07 -0.09 0.02 0.00 0.00 177.57 176.95 2qan h ARG 84 N -0.31 0.19 -0.15 1.57 2.43 -1.26 0.54 114.38 117.39 2qan h ARG 84 Ca 0.05 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.24 2qan h ARG 84 Cb 0.45 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 2qan h ARG 84 CO -0.42 0.13 -0.06 1.49 -1.51 0.00 0.00 179.97 179.59 2qan h GLU 85 N 0.20 -0.03 -0.01 0.20 4.81 -0.30 -2.35 114.58 117.10 2qan h GLU 85 Ca 0.19 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.40 2qan h GLU 85 Cb 0.23 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.62 2qan h GLU 85 CO -0.25 -0.02 -0.07 0.00 -0.73 0.00 0.00 179.01 177.93 2qan h ALA 86 N 1.11 0.02 -1.30 2.92 0.00 -0.11 -3.26 119.26 118.65 2qan h ALA 86 Ca 0.08 -0.38 0.38 0.00 0.00 0.00 0.00 54.91 54.99 2qan h ALA 86 Cb 0.16 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 2qan h ALA 86 CO -0.18 -0.08 0.93 0.00 0.00 0.00 0.00 179.25 179.92 2qan h ALA 87 N 0.31 3.22 -0.13 0.00 0.00 0.13 0.17 119.26 122.96 2qan h ALA 87 Ca -0.01 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 2qan h ALA 87 Cb 0.77 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 2qan h ALA 87 CO 0.01 -1.59 -0.70 0.52 0.00 0.00 0.00 179.25 177.49 2qan h MET 88 N 0.00 0.57 0.00 0.00 2.07 -1.46 -2.88 114.93 113.23 2qan h MET 88 Ca 0.62 -0.44 0.00 0.00 -2.07 0.00 0.00 59.70 57.80 2qan h MET 88 Cb 2.47 0.08 0.00 0.00 -1.87 0.00 0.00 31.60 32.28 2qan h MET 88 CO -0.01 1.07 0.00 0.54 1.07 0.00 0.00 176.91 179.58 2qan n ARG 89 N -3.90 0.90 -2.06 1.72 1.74 0.58 -4.86 116.66 110.79 2qan n ARG 89 Ca -0.05 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 56.97 2qan n ARG 89 Cb 0.70 -1.44 -0.00 0.00 -1.02 0.00 0.00 32.46 30.70 2qan n ARG 89 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qan n GLY 90 N 0.75 0.16 0.14 -0.13 0.00 -1.09 -4.92 105.19 100.10 2qan n GLY 90 Ca 0.19 -0.64 0.02 0.00 0.00 0.00 0.00 46.02 45.59 2qan n GLY 90 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2qan h GLU 91 N 0.00 0.00 -5.07 1.61 5.08 -1.75 -3.43 114.58 111.02 2qan h GLU 91 Ca -0.14 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.59 2qan h GLU 91 Cb 1.06 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.17 2qan h GLU 91 CO 0.17 0.51 -0.47 0.42 -1.00 0.00 0.00 179.01 178.65 2qan s ILE 92 N -2.95 5.32 0.31 3.13 1.01 -1.26 -5.01 121.20 121.75 2qan s ILE 92 Ca 0.04 0.25 -0.29 0.00 0.00 0.00 0.00 60.65 60.64 2qan s ILE 92 Cb 0.08 -3.54 -0.10 0.00 0.01 0.00 0.00 42.46 38.91 2qan s ILE 92 CO 0.75 0.30 1.22 -2.16 0.00 0.00 0.00 174.94 175.06 2qan s PRO 93 N 1.31 4.46 -2.15 2.79 0.04 -1.26 -3.54 135.00 136.65 2qan s PRO 93 Ca 0.09 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.18 2qan s PRO 93 Cb -0.14 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.29 2qan s PRO 93 CO 0.07 -0.03 0.00 0.41 0.04 0.00 0.00 177.00 177.48 2qan n GLY 94 N 0.95 1.90 3.22 0.56 0.00 -1.26 -4.97 105.19 105.58 2qan n GLY 94 Ca -0.00 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 2qan n GLY 94 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qan s LEU 95 N -4.65 2.52 0.20 0.99 2.96 -1.23 -5.10 118.68 114.36 2qan s LEU 95 Ca 0.00 -0.51 -0.16 0.00 -0.22 0.00 0.00 54.13 53.23 2qan s LEU 95 Cb 0.00 -1.61 0.02 0.00 0.50 0.00 0.00 46.19 45.10 2qan s LEU 95 CO 0.00 -0.00 0.50 -1.59 -1.32 0.00 0.00 176.35 173.94 2qan s LYS 96 N 1.35 1.37 -0.42 1.98 -2.85 -1.26 -4.95 119.74 114.97 2qan s LYS 96 Ca 0.05 -0.92 -0.40 0.00 -1.00 0.00 0.00 55.97 53.70 2qan s LYS 96 Cb -0.14 0.50 -0.15 0.00 -2.06 0.00 0.00 37.83 35.98 2qan s LYS 96 CO -0.08 -0.58 2.11 1.63 0.10 0.00 0.00 175.35 178.54 2qan n LYS 97 N -0.33 0.55 -3.00 1.78 4.76 -1.26 -4.90 118.16 115.76 2qan n LYS 97 Ca -0.09 0.16 -0.39 0.00 -2.87 0.00 0.00 58.31 55.11 2qan n LYS 97 Cb 0.62 -1.96 -0.06 0.00 -1.84 0.00 0.00 35.03 31.79 2qan n LYS 97 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qan s ALA 98 N 6.30 3.45 -0.01 7.82 0.00 -1.26 -5.06 121.76 133.00 2qan s ALA 98 Ca 1.13 0.34 -0.29 0.00 0.00 0.00 0.00 51.96 53.14 2qan s ALA 98 Cb -1.19 -2.94 0.07 0.00 0.00 0.00 0.00 23.12 19.07 2qan s ALA 98 CO 0.59 0.30 0.69 -1.54 0.00 0.00 0.00 175.76 175.80 2qan s SER 99 N -1.18 -0.62 0.00 0.00 1.04 -1.26 -5.34 113.70 106.34 2qan s SER 99 Ca 0.36 0.52 0.00 0.00 0.48 0.00 0.00 55.95 57.31 2qan s SER 99 Cb -0.23 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.43 2qan s SER 99 CO 0.26 -0.68 0.00 -2.67 0.98 0.00 0.00 173.24 171.13