#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbb n LYS 2 N 0.00 -3.44 -0.21 0.00 4.76 -1.26 -3.91 118.16 114.10 2qbb n LYS 2 Ca 0.00 2.74 -0.09 0.00 -2.87 0.00 0.00 58.31 58.09 2qbb n LYS 2 Cb 0.00 -4.94 -0.08 0.00 -1.84 0.00 0.00 35.03 28.17 2qbb n LYS 2 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 2qbb h GLN 3 N 2.99 -0.15 -0.79 1.97 5.75 -1.98 0.57 115.11 123.48 2qbb h GLN 3 Ca -0.12 0.01 0.17 0.00 -0.15 0.00 0.00 58.65 58.56 2qbb h GLN 3 Cb 0.27 0.03 -0.15 0.00 1.07 0.00 0.00 27.48 28.71 2qbb h GLN 3 CO 0.07 -0.10 -0.12 0.66 -2.65 0.00 0.00 178.83 176.69 2qbb h SER 4 N -0.16 -0.59 -0.25 -0.69 4.64 -2.00 0.74 113.55 115.23 2qbb h SER 4 Ca 0.09 0.23 -0.03 0.00 -0.47 0.00 0.00 61.79 61.60 2qbb h SER 4 Cb 0.38 0.44 -0.01 0.00 -0.31 0.00 0.00 62.40 62.91 2qbb h SER 4 CO -0.57 -0.24 0.04 -0.03 -0.87 0.00 0.00 176.83 175.16 2qbb h MET 5 N 0.03 0.42 -0.94 4.77 4.05 -1.22 -2.77 114.93 119.26 2qbb h MET 5 Ca 0.40 -0.11 0.17 0.00 -0.28 0.00 0.00 59.70 59.88 2qbb h MET 5 Cb 0.67 -0.05 -0.08 0.00 -0.80 0.00 0.00 31.60 31.33 2qbb h MET 5 CO -0.77 0.54 0.60 0.87 0.23 0.00 0.00 176.91 178.38 2qbb h LYS 6 N 0.23 0.65 -0.44 0.39 1.57 0.23 0.27 116.57 119.47 2qbb h LYS 6 Ca 0.08 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 2qbb h LYS 6 Cb 0.33 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 2qbb h LYS 6 CO 0.00 0.43 0.06 0.00 -0.57 0.00 0.00 179.45 179.37 2qbb h ALA 7 N 1.61 1.28 0.13 3.86 0.00 -0.84 -2.96 119.26 122.34 2qbb h ALA 7 Ca 0.50 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.22 2qbb h ALA 7 Cb 0.87 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 2qbb h ALA 7 CO -0.26 0.49 -0.42 0.00 0.00 0.00 0.00 179.25 179.07 2qbb h ARG 8 N 0.65 -0.64 -0.55 0.00 3.08 -0.29 -1.74 114.38 114.90 2qbb h ARG 8 Ca 0.14 0.04 0.11 0.00 0.07 0.00 0.00 59.98 60.34 2qbb h ARG 8 Cb 0.32 0.14 -0.10 0.00 0.08 0.00 0.00 29.97 30.41 2qbb h ARG 8 CO 0.01 -0.42 -0.15 1.49 -1.07 0.00 0.00 179.97 179.83 2qbb h GLU 9 N -0.66 -0.01 -0.43 0.04 4.57 -1.38 -1.95 114.58 114.76 2qbb h GLU 9 Ca 0.02 0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.27 2qbb h GLU 9 Cb 0.68 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.22 2qbb h GLU 9 CO -0.24 -0.01 0.08 0.28 -1.18 0.00 0.00 179.01 177.95 2qbb h VAL 10 N -0.01 0.77 0.15 0.32 2.07 -1.28 -2.70 116.25 115.57 2qbb h VAL 10 Ca 0.26 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.71 2qbb h VAL 10 Cb 0.41 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 2qbb h VAL 10 CO -0.57 0.04 -0.11 0.11 0.02 0.00 0.00 177.57 177.06 2qbb h LYS 11 N 0.21 -0.26 -0.42 1.57 1.79 -0.57 -1.99 116.57 116.90 2qbb h LYS 11 Ca 0.21 0.02 0.12 0.00 -2.18 0.00 0.00 60.65 58.82 2qbb h LYS 11 Cb 0.26 0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.95 2qbb h LYS 11 CO -0.28 -0.17 0.38 0.00 -1.08 0.00 0.00 179.45 178.30 2qbb h ARG 12 N -0.27 0.00 0.79 3.15 3.08 -1.28 -1.89 114.38 117.95 2qbb h ARG 12 Ca -0.01 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 2qbb h ARG 12 Cb 0.24 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.29 2qbb h ARG 12 CO -0.00 0.00 -0.38 0.28 -1.07 0.00 0.00 179.97 178.80 2qbb h VAL 13 N 0.00 0.00 -0.41 2.04 2.07 -1.04 -2.60 116.25 116.32 2qbb h VAL 13 Ca 0.20 -0.14 0.06 0.00 0.82 0.00 0.00 66.70 67.64 2qbb h VAL 13 Cb 0.95 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.67 2qbb h VAL 13 CO -0.00 0.00 0.12 0.00 0.02 0.00 0.00 177.57 177.71 2qbb h ALA 14 N -1.38 0.47 -0.84 1.67 0.00 -1.30 -2.09 119.26 115.79 2qbb h ALA 14 Ca -0.11 0.06 0.20 0.00 0.00 0.00 0.00 54.91 55.07 2qbb h ALA 14 Cb 0.81 0.06 -0.12 0.00 0.00 0.00 0.00 17.79 18.53 2qbb h ALA 14 CO 0.18 -0.28 0.27 -0.07 0.00 0.00 0.00 179.25 179.35 2qbb h LEU 15 N 0.27 0.12 -0.36 0.00 3.38 -1.38 0.16 115.31 117.49 2qbb h LEU 15 Ca 0.19 0.16 -0.11 0.00 0.09 0.00 0.00 57.88 58.22 2qbb h LEU 15 Cb 0.20 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2qbb h LEU 15 CO -0.22 -0.06 -0.20 0.00 0.09 0.00 0.00 178.44 178.05 2qbb h ALA 16 N 1.70 0.51 0.00 1.53 0.00 -0.98 -2.50 119.26 119.52 2qbb h ALA 16 Ca 0.51 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2qbb h ALA 16 Cb 0.95 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 2qbb h ALA 16 CO -0.56 0.46 -0.02 -0.44 0.00 0.00 0.00 179.25 178.69 2qbb h ASP 17 N 0.56 0.00 0.00 0.00 3.32 -0.54 -0.74 116.42 119.03 2qbb h ASP 17 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2qbb h ASP 17 Cb 0.75 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.30 2qbb h ASP 17 CO 0.06 0.02 -0.04 0.11 -1.72 0.00 0.00 179.24 177.66 2qbb h LYS 18 N 0.00 0.00 0.00 3.56 1.57 -0.57 -3.41 116.57 117.72 2qbb h LYS 18 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2qbb h LYS 18 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 2qbb h LYS 18 CO 0.00 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.54 2qbb n TYR 19 N -2.93 0.00 -0.54 -1.35 4.02 -0.96 -4.48 117.16 110.92 2qbb n TYR 19 Ca -0.01 0.00 0.41 0.00 -0.01 0.00 0.00 57.90 58.30 2qbb n TYR 19 Cb 0.02 0.00 0.64 0.00 -0.02 0.00 0.00 39.34 39.98 2qbb n TYR 19 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 2qbb n PHE 20 N 0.00 0.06 -0.25 -0.72 3.72 -1.25 -0.73 117.46 118.30 2qbb n PHE 20 Ca 0.00 0.06 0.06 0.00 -0.05 0.00 0.00 57.45 57.52 2qbb n PHE 20 Cb 0.00 -0.46 0.17 0.00 -0.94 0.00 0.00 39.48 38.25 2qbb n PHE 20 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2qbb h ALA 21 N 0.84 0.85 0.00 4.37 0.00 -1.35 -0.13 119.26 123.83 2qbb h ALA 21 Ca 0.74 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.87 2qbb h ALA 21 Cb 2.91 0.37 0.00 0.00 0.00 0.00 0.00 17.79 21.07 2qbb h ALA 21 CO -0.05 -0.41 -0.19 1.63 0.00 0.00 0.00 179.25 180.23 2qbb n LYS 22 N -5.30 0.80 0.00 0.00 5.02 0.10 -4.72 118.16 114.06 2qbb n LYS 22 Ca 0.14 -1.94 0.00 0.00 -2.02 0.00 0.00 58.31 54.49 2qbb n LYS 22 Cb 0.48 -1.10 0.00 0.00 -0.02 0.00 0.00 35.03 34.39 2qbb n LYS 22 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qbb n ARG 23 N -0.86 2.18 0.00 1.97 5.12 -0.43 -4.66 116.66 119.98 2qbb n ARG 23 Ca 0.10 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.02 2qbb n ARG 23 Cb 0.66 -0.91 0.00 0.00 -1.16 0.00 0.00 32.46 31.05 2qbb n ARG 23 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2qbb n ALA 24 N -1.48 2.19 0.10 7.54 0.00 -0.09 -3.25 120.51 125.52 2qbb n ALA 24 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 2qbb n ALA 24 Cb 0.21 -1.00 -0.15 0.00 0.00 0.00 0.00 19.45 18.51 2qbb n ALA 24 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2qbb h GLU 25 N 0.17 0.39 -0.97 0.00 9.09 -1.83 -3.38 114.58 118.05 2qbb h GLU 25 Ca 0.00 -0.66 0.16 0.00 0.05 0.00 0.00 59.36 58.90 2qbb h GLU 25 Cb 0.30 0.25 -0.16 0.00 -1.65 0.00 0.00 28.75 27.49 2qbb h GLU 25 CO 0.00 1.29 -0.37 1.37 0.05 0.00 0.00 179.01 181.35 2qbb h LEU 26 N 0.11 -1.37 -0.82 3.06 -0.00 -1.92 0.11 115.31 114.47 2qbb h LEU 26 Ca -0.26 0.31 0.13 0.00 -0.00 0.00 0.00 57.88 58.05 2qbb h LEU 26 Cb 2.09 0.73 -0.09 0.00 -0.00 0.00 0.00 40.66 43.39 2qbb h LEU 26 CO 0.21 -0.29 0.41 0.07 -0.00 0.00 0.00 178.44 178.84 2qbb h LYS 27 N -0.01 0.61 0.00 0.17 5.09 -1.85 1.85 116.57 122.42 2qbb h LYS 27 Ca 0.35 -0.04 0.00 0.00 0.09 0.00 0.00 60.65 61.06 2qbb h LYS 27 Cb 0.61 -0.14 0.00 0.00 0.10 0.00 0.00 32.23 32.80 2qbb h LYS 27 CO -0.97 0.40 0.00 0.00 -2.09 0.00 0.00 179.45 176.79 2qbb n ALA 28 N -2.43 1.18 -0.86 0.07 0.00 0.35 -1.15 120.51 117.68 2qbb n ALA 28 Ca 0.15 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.68 2qbb n ALA 28 Cb 0.39 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.63 2qbb n ALA 28 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2qbb n ILE 29 N -1.91 0.00 0.00 0.00 5.41 0.13 -4.64 119.36 118.35 2qbb n ILE 29 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2qbb n ILE 29 Cb 0.06 -0.46 0.00 0.00 -0.71 0.00 0.00 39.64 38.53 2qbb n ILE 29 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 2qbb n ILE 30 N -1.21 0.00 0.00 1.39 -0.00 0.59 -0.52 119.36 119.60 2qbb n ILE 30 Ca 0.00 1.29 0.00 0.00 -0.00 0.00 0.00 62.75 64.04 2qbb n ILE 30 Cb 0.00 -1.99 0.00 0.00 -0.00 0.00 0.00 39.64 37.65 2qbb n ILE 30 CO 0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 176.55 175.35 2qbb n SER 31 N -1.82 0.00 -4.93 4.38 7.64 -1.19 -1.50 113.62 116.20 2qbb n SER 31 Ca 0.00 0.19 -0.28 0.00 1.01 0.00 0.00 58.87 59.79 2qbb n SER 31 Cb 0.00 -0.19 -0.03 0.00 -1.01 0.00 0.00 64.21 62.98 2qbb n SER 31 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2qbb s ASP 32 N -2.32 6.38 -0.82 6.43 3.68 0.32 -3.97 116.67 126.37 2qbb s ASP 32 Ca 0.00 0.35 -0.25 0.00 2.13 0.00 0.00 52.55 54.79 2qbb s ASP 32 Cb 0.00 -1.99 -0.19 0.00 -1.45 0.00 0.00 42.92 39.29 2qbb s ASP 32 CO 0.00 0.01 2.47 0.52 0.13 0.00 0.00 175.17 178.30 2qbb n VAL 33 N -0.48 -0.03 0.00 1.11 0.31 -1.26 -1.70 118.33 116.28 2qbb n VAL 33 Ca -0.05 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 63.87 2qbb n VAL 33 Cb 0.53 -1.31 0.00 0.00 -0.91 0.00 0.00 33.84 32.15 2qbb n VAL 33 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2qbb n ASN 34 N 12.43 0.00 0.19 4.52 4.13 -1.26 -4.87 115.26 130.39 2qbb n ASN 34 Ca 0.55 0.00 0.05 0.00 1.68 0.00 0.00 54.58 56.86 2qbb n ASN 34 Cb 0.26 0.00 0.48 0.00 -1.54 0.00 0.00 39.78 38.99 2qbb n ASN 34 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2qbb h ALA 35 N 1.36 1.68 0.00 5.41 0.00 -1.85 -3.53 119.26 122.34 2qbb h ALA 35 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2qbb h ALA 35 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2qbb h ALA 35 CO 0.00 0.24 0.00 2.89 0.00 0.00 0.00 179.25 182.38 2qbb n ARG 40 N -4.34 0.00 -3.59 0.00 1.85 -0.56 -5.09 116.66 104.93 2qbb n ARG 40 Ca -0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 57.85 56.81 2qbb n ARG 40 Cb 0.23 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.59 2qbb n ARG 40 CO 0.00 0.00 0.00 -0.46 -0.01 0.00 0.00 177.63 177.16 2qbb s TRP 41 N 0.00 -1.01 0.31 2.89 -0.00 -1.26 -4.71 118.94 115.16 2qbb s TRP 41 Ca 0.00 1.84 0.04 0.00 -0.00 0.00 0.00 56.10 57.99 2qbb s TRP 41 Cb 0.00 0.61 0.51 0.00 -0.00 0.00 0.00 33.47 34.58 2qbb s TRP 41 CO 0.00 -0.50 1.77 -0.97 -0.00 0.00 0.00 176.95 177.25 2qbb h ASN 42 N 7.36 0.41 0.44 5.86 -0.73 -1.98 -0.60 115.58 126.34 2qbb h ASN 42 Ca -0.22 -0.12 -0.01 0.00 1.87 0.00 0.00 56.30 57.82 2qbb h ASN 42 Cb 1.15 -0.11 -0.01 0.00 0.27 0.00 0.00 38.32 39.62 2qbb h ASN 42 CO 0.12 0.63 -0.31 0.00 -0.37 0.00 0.00 177.43 177.51 2qbb h ALA 43 N 1.40 -0.74 -0.13 1.57 0.00 -1.99 -2.11 119.26 117.27 2qbb h ALA 43 Ca 0.06 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2qbb h ALA 43 Cb 0.59 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2qbb h ALA 43 CO 0.04 -0.94 -0.14 0.28 0.00 0.00 0.00 179.25 178.49 2qbb h VAL 44 N -0.73 1.17 -0.01 0.00 2.07 -1.96 -1.04 116.25 115.75 2qbb h VAL 44 Ca -0.04 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.71 2qbb h VAL 44 Cb 0.62 1.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.62 2qbb h VAL 44 CO 0.02 0.24 0.01 0.25 0.02 0.00 0.00 177.57 178.10 2qbb h LEU 45 N 0.19 0.00 -0.28 2.57 6.46 -0.47 0.93 115.31 124.71 2qbb h LEU 45 Ca 0.04 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.80 2qbb h LEU 45 Cb 0.37 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.30 2qbb h LEU 45 CO 0.02 0.00 -0.67 0.29 -0.62 0.00 0.00 178.44 177.46 2qbb n LYS 46 N -3.86 1.46 0.13 1.25 4.76 -0.65 -4.43 118.16 116.82 2qbb n LYS 46 Ca -0.03 -0.26 -0.00 0.00 -2.87 0.00 0.00 58.31 55.15 2qbb n LYS 46 Cb 0.09 -1.31 0.27 0.00 -1.84 0.00 0.00 35.03 32.25 2qbb n LYS 46 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2qbb h LEU 47 N 0.60 0.13 0.00 -0.35 5.85 0.43 -3.10 115.31 118.88 2qbb h LEU 47 Ca 0.00 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.67 2qbb h LEU 47 Cb 0.46 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.46 2qbb h LEU 47 CO 0.00 0.53 0.00 0.00 -0.34 0.00 0.00 178.44 178.63 2qbb n GLN 48 N -4.04 0.00 -3.03 1.25 -0.00 -1.19 -4.35 117.38 106.03 2qbb n GLN 48 Ca -0.02 0.00 -0.44 0.00 -0.00 0.00 0.00 57.00 56.54 2qbb n GLN 48 Cb 0.46 -1.01 -0.01 0.00 -0.00 0.00 0.00 30.24 29.68 2qbb n GLN 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 2qbb s THR 49 N -2.00 5.11 0.00 -0.39 2.01 -1.17 -4.06 115.64 115.14 2qbb s THR 49 Ca 0.00 -2.37 0.00 0.00 0.31 0.00 0.00 61.69 59.63 2qbb s THR 49 Cb 0.00 -4.79 0.00 0.00 0.01 0.00 0.00 72.50 67.72 2qbb s THR 49 CO 0.00 -1.47 0.00 0.00 -0.69 0.00 0.00 174.62 172.46 2qbb n LEU 50 N 5.42 0.00 0.05 4.42 -0.00 -1.26 -5.03 117.00 120.60 2qbb n LEU 50 Ca 0.29 0.00 -0.08 0.00 -0.00 0.00 0.00 56.01 56.22 2qbb n LEU 50 Cb 0.45 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.82 2qbb n LEU 50 CO 0.54 0.00 0.24 1.55 -0.00 0.00 0.00 177.39 179.72 2qbb h PRO 51 N 0.00 -0.22 0.00 1.47 0.13 -1.91 -3.47 132.00 128.01 2qbb h PRO 51 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2qbb h PRO 51 Cb 0.00 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.18 2qbb h PRO 51 CO 0.00 0.09 0.00 -2.13 -0.23 0.00 0.00 178.00 175.73 2qbb n ARG 52 N -4.91 0.00 0.29 0.86 3.00 -1.26 -1.57 116.66 113.07 2qbb n ARG 52 Ca -0.06 0.00 0.12 0.00 -0.00 0.00 0.00 57.85 57.91 2qbb n ARG 52 Cb 0.20 0.00 0.63 0.00 0.00 0.00 0.00 32.46 33.30 2qbb n ARG 52 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 2qbb h ASP 53 N 0.00 0.00 0.41 6.15 5.19 -1.97 0.56 116.42 126.76 2qbb h ASP 53 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2qbb h ASP 53 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2qbb h ASP 53 CO 0.00 0.00 0.00 -0.24 -3.12 0.00 0.00 179.24 175.88 2qbb n SER 54 N -2.62 0.53 -4.76 6.45 2.88 -0.61 -4.58 113.62 110.93 2qbb n SER 54 Ca -0.02 0.67 -0.35 0.00 -1.33 0.00 0.00 58.87 57.85 2qbb n SER 54 Cb 0.40 -0.77 0.03 0.00 -0.75 0.00 0.00 64.21 63.12 2qbb n SER 54 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2qbb s SER 55 N -3.99 5.21 -0.03 -3.46 0.01 0.19 -3.64 113.70 108.00 2qbb s SER 55 Ca 0.02 2.32 -0.25 0.00 1.31 0.00 0.00 55.95 59.34 2qbb s SER 55 Cb 0.08 -2.59 -0.20 0.00 0.21 0.00 0.00 66.02 63.52 2qbb s SER 55 CO 0.29 -1.57 1.16 1.55 0.41 0.00 0.00 173.24 175.08 2qbb h PRO 56 N 0.79 -0.07 -2.19 12.44 0.13 -1.89 -3.31 132.00 137.90 2qbb h PRO 56 Ca -0.50 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.60 2qbb h PRO 56 Cb 1.29 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 2qbb h PRO 56 CO 0.55 0.43 0.03 0.43 -0.23 0.00 0.00 178.00 179.21 2qbb n SER 57 N -4.87 2.45 0.00 1.44 7.64 -1.26 -2.73 113.62 116.29 2qbb n SER 57 Ca -0.09 -1.76 0.00 0.00 1.01 0.00 0.00 58.87 58.04 2qbb n SER 57 Cb 0.27 -0.57 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 2qbb n SER 57 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2qbb n ARG 58 N 2.13 1.13 -2.06 1.43 1.74 -1.25 -5.07 116.66 114.71 2qbb n ARG 58 Ca 0.07 -0.15 -0.28 0.00 -0.77 0.00 0.00 57.85 56.71 2qbb n ARG 58 Cb 0.30 -0.56 0.15 0.00 -1.02 0.00 0.00 32.46 31.33 2qbb n ARG 58 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2qbb s GLN 59 N -0.21 1.12 0.00 5.56 -0.21 -1.10 -5.04 119.66 119.79 2qbb s GLN 59 Ca 0.00 -0.45 0.06 0.00 0.02 0.00 0.00 55.36 54.99 2qbb s GLN 59 Cb 0.00 -1.97 0.09 0.00 1.00 0.00 0.00 33.01 32.14 2qbb s GLN 59 CO 0.00 -2.04 0.94 2.89 -2.12 0.00 0.00 175.29 174.96 2qbb n ARG 60 N -3.48 0.00 0.00 2.91 1.85 -1.26 -5.08 116.66 111.60 2qbb n ARG 60 Ca 0.14 -1.03 0.00 0.00 -1.00 0.00 0.00 57.85 55.96 2qbb n ARG 60 Cb 0.60 0.21 0.00 0.00 -1.05 0.00 0.00 32.46 32.22 2qbb n ARG 60 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2qbb n ASN 61 N 0.11 0.00 -0.70 2.89 4.13 -1.26 -4.79 115.26 115.64 2qbb n ASN 61 Ca -0.13 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.13 2qbb n ASN 61 Cb 0.76 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 39.00 2qbb n ASN 61 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2qbb n ARG 62 N 0.00 -1.96 -1.69 3.52 1.74 -1.26 -4.77 116.66 112.24 2qbb n ARG 62 Ca 0.00 1.48 -0.51 0.00 -0.77 0.00 0.00 57.85 58.04 2qbb n ARG 62 Cb 0.00 -1.71 -0.05 0.00 -1.02 0.00 0.00 32.46 29.68 2qbb n ARG 62 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qbb h ARG 64 N 8.43 0.21 0.00 0.00 9.65 -1.71 0.14 114.38 131.10 2qbb h ARG 64 Ca -0.48 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.39 2qbb h ARG 64 Cb 1.29 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.82 2qbb h ARG 64 CO 0.95 0.14 0.00 0.94 2.80 0.00 0.00 179.97 184.80 2qbb n GLN 65 N -4.42 0.00 0.07 0.20 -0.06 -1.26 -4.80 117.38 107.11 2qbb n GLN 65 Ca 0.23 0.02 -0.04 0.00 -2.00 0.00 0.00 57.00 55.21 2qbb n GLN 65 Cb 0.94 -0.47 -0.02 0.00 -4.06 0.00 0.00 30.24 26.64 2qbb n GLN 65 CO 0.00 0.00 0.00 1.79 -0.20 0.00 0.00 177.06 178.65 2qbb h THR 66 N 0.00 0.00 0.00 1.69 1.35 -1.93 -3.49 112.91 110.53 2qbb h THR 66 Ca 0.00 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 2qbb h THR 66 Cb 0.00 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.42 2qbb h THR 66 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2qbb n GLY 67 N 0.99 1.10 3.45 5.82 0.00 0.48 -4.53 105.19 112.50 2qbb n GLY 67 Ca -0.03 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.52 2qbb n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qbb n ARG 68 N 0.00 0.78 0.00 1.61 1.74 -1.26 -3.58 116.66 115.95 2qbb n ARG 68 Ca 0.00 0.16 0.02 0.00 -0.77 0.00 0.00 57.85 57.26 2qbb n ARG 68 Cb 0.00 -2.37 0.13 0.00 -1.02 0.00 0.00 32.46 29.19 2qbb n ARG 68 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2qbb n PRO 69 N 8.33 0.14 0.00 5.56 -0.04 -1.26 -3.19 135.00 144.55 2qbb n PRO 69 Ca 0.46 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.92 2qbb n PRO 69 Cb 0.22 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.22 2qbb n PRO 69 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2qbb n HIS 70 N -0.96 0.00 -1.19 0.54 8.25 -1.26 -4.83 115.22 115.77 2qbb n HIS 70 Ca 0.03 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.22 2qbb n HIS 70 Cb 0.01 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 30.99 2qbb n HIS 70 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2qbb n GLY 71 N 5.00 -0.39 3.13 -1.41 0.00 -1.26 -4.86 105.19 105.40 2qbb n GLY 71 Ca 0.00 0.62 -0.15 0.00 0.00 0.00 0.00 46.02 46.49 2qbb n GLY 71 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2qbb s PHE 72 N 4.85 0.96 -0.29 1.61 2.19 -1.26 -0.46 117.98 125.57 2qbb s PHE 72 Ca 1.07 -0.52 -0.02 0.00 0.33 0.00 0.00 56.93 57.79 2qbb s PHE 72 Cb -0.89 -0.55 0.10 0.00 -1.31 0.00 0.00 43.02 40.37 2qbb s PHE 72 CO 0.41 -0.02 0.10 -0.51 1.83 0.00 0.00 175.22 177.03 2qbb s LEU 73 N -1.82 1.63 0.45 6.12 1.43 -1.15 -4.90 118.68 120.43 2qbb s LEU 73 Ca -0.04 -1.46 0.31 0.00 -1.03 0.00 0.00 54.13 51.92 2qbb s LEU 73 Cb -0.08 -0.68 1.44 0.00 0.03 0.00 0.00 46.19 46.89 2qbb s LEU 73 CO 0.01 -0.41 1.63 0.03 0.23 0.00 0.00 176.35 177.84 2qbb h ARG 74 N 8.20 0.09 0.50 1.70 3.08 -1.96 0.54 114.38 126.52 2qbb h ARG 74 Ca -0.16 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.87 2qbb h ARG 74 Cb 1.02 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.05 2qbb h ARG 74 CO 0.45 0.06 -0.33 -0.22 -1.07 0.00 0.00 179.97 178.85 2qbb h LYS 75 N 0.09 -0.76 0.00 0.04 1.63 -1.97 -3.25 116.57 112.36 2qbb h LYS 75 Ca 0.81 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 60.66 2qbb h LYS 75 Cb 2.61 0.17 0.00 0.00 -0.60 0.00 0.00 32.23 34.41 2qbb h LYS 75 CO -0.38 -0.50 -0.44 0.74 -3.45 0.00 0.00 179.45 175.42 2qbb h PHE 76 N -0.79 0.00 -0.42 1.91 -1.00 -1.72 -3.47 116.94 111.45 2qbb h PHE 76 Ca -0.07 0.00 -0.18 0.00 2.81 0.00 0.00 57.97 60.53 2qbb h PHE 76 Cb 0.64 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 40.13 2qbb h PHE 76 CO -0.06 0.00 -0.17 0.41 -1.61 0.00 0.00 178.31 176.88 2qbb n GLY 77 N 1.19 1.05 3.45 -1.45 0.00 0.18 -5.01 105.19 104.60 2qbb n GLY 77 Ca 0.03 -0.47 -0.22 0.00 0.00 0.00 0.00 46.02 45.35 2qbb n GLY 77 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qbb s LEU 78 N -2.03 2.53 0.81 0.99 1.02 -1.26 -2.02 118.68 118.73 2qbb s LEU 78 Ca 0.00 -1.19 -0.11 0.00 0.02 0.00 0.00 54.13 52.86 2qbb s LEU 78 Cb 0.00 -0.72 0.08 0.00 0.02 0.00 0.00 46.19 45.57 2qbb s LEU 78 CO 0.00 -0.30 1.10 -0.94 0.02 0.00 0.00 176.35 176.22 2qbb s SER 79 N -3.47 4.11 0.44 2.29 1.04 -1.26 -2.94 113.70 113.90 2qbb s SER 79 Ca 0.30 1.84 0.22 0.00 0.48 0.00 0.00 55.95 58.79 2qbb s SER 79 Cb 0.03 -2.49 1.21 0.00 0.10 0.00 0.00 66.02 64.87 2qbb s SER 79 CO 0.13 -2.29 1.81 0.08 0.98 0.00 0.00 173.24 173.94 2qbb h ARG 80 N -1.31 0.29 0.23 4.02 0.11 -1.11 -2.52 114.38 114.09 2qbb h ARG 80 Ca -0.44 -0.02 -0.01 0.00 0.10 0.00 0.00 59.98 59.61 2qbb h ARG 80 Cb 1.24 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 32.26 2qbb h ARG 80 CO 0.50 0.19 -0.11 0.82 0.10 0.00 0.00 179.97 181.47 2qbb h ILE 81 N 0.30 0.00 -0.76 0.08 2.04 -1.90 -3.30 117.51 113.96 2qbb h ILE 81 Ca 0.54 -0.37 0.14 0.00 1.00 0.00 0.00 64.86 66.18 2qbb h ILE 81 Cb 1.57 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 37.51 2qbb h ILE 81 CO -0.20 0.00 -0.25 0.11 0.00 0.00 0.00 178.15 177.81 2qbb h LYS 82 N -0.68 -0.04 -0.89 2.37 1.79 -1.86 0.30 116.57 117.56 2qbb h LYS 82 Ca -0.03 0.00 0.23 0.00 -2.18 0.00 0.00 60.65 58.67 2qbb h LYS 82 Cb 0.23 0.01 -0.16 0.00 -1.58 0.00 0.00 32.23 30.73 2qbb h LYS 82 CO 0.05 -0.03 0.05 0.28 -1.08 0.00 0.00 179.45 178.72 2qbb h VAL 83 N -0.04 0.17 -0.06 0.50 2.07 -1.60 0.21 116.25 117.50 2qbb h VAL 83 Ca 0.34 -0.03 -0.06 0.00 0.82 0.00 0.00 66.70 67.77 2qbb h VAL 83 Cb 0.57 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 2qbb h VAL 83 CO -0.80 0.01 -0.21 -0.09 0.02 0.00 0.00 177.57 176.50 2qbb h ARG 84 N 0.07 0.25 -0.19 1.57 2.43 -0.58 0.18 114.38 118.11 2qbb h ARG 84 Ca 0.53 -0.19 0.06 0.00 -0.81 0.00 0.00 59.98 59.56 2qbb h ARG 84 Cb 1.03 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.60 2qbb h ARG 84 CO -0.80 0.82 0.18 1.49 -1.51 0.00 0.00 179.97 180.15 2qbb h GLU 85 N -0.26 0.00 0.01 0.20 4.81 0.10 -2.53 114.58 116.91 2qbb h GLU 85 Ca -0.01 0.00 -0.38 0.00 -0.13 0.00 0.00 59.36 58.84 2qbb h GLU 85 Cb 0.84 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.17 2qbb h GLU 85 CO 0.04 0.00 -2.15 0.00 -0.73 0.00 0.00 179.01 176.17 2qbb n ALA 86 N -2.42 1.10 -0.37 2.92 0.00 0.51 -4.23 120.51 118.02 2qbb n ALA 86 Ca 0.02 -0.89 0.29 0.00 0.00 0.00 0.00 53.44 52.85 2qbb n ALA 86 Cb 0.31 -0.17 0.58 0.00 0.00 0.00 0.00 19.45 20.16 2qbb n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbb h ALA 87 N -0.59 2.48 0.00 0.00 0.00 -0.43 0.42 119.26 121.14 2qbb h ALA 87 Ca -0.56 0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.27 2qbb h ALA 87 Cb 1.63 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.50 2qbb h ALA 87 CO -0.26 -0.97 -0.70 0.52 0.00 0.00 0.00 179.25 177.84 2qbb h MET 88 N 0.25 0.00 -0.00 0.00 2.86 -1.66 -2.87 114.93 113.51 2qbb h MET 88 Ca 0.68 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.32 2qbb h MET 88 Cb 1.96 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.62 2qbb h MET 88 CO -0.33 0.70 -0.01 0.54 1.06 0.00 0.00 176.91 178.88 2qbb n ARG 89 N -3.69 0.59 -2.34 1.72 1.74 0.14 -4.89 116.66 109.94 2qbb n ARG 89 Ca -0.01 -0.03 -0.00 0.00 -0.77 0.00 0.00 57.85 57.04 2qbb n ARG 89 Cb 0.69 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.63 2qbb n ARG 89 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qbb n GLY 90 N 1.22 0.75 0.12 -0.13 0.00 -0.94 -4.98 105.19 101.23 2qbb n GLY 90 Ca 0.16 -0.74 -0.20 0.00 0.00 0.00 0.00 46.02 45.24 2qbb n GLY 90 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2qbb h GLU 91 N -0.01 0.21 -6.22 1.61 4.39 -1.69 -3.45 114.58 109.41 2qbb h GLU 91 Ca -0.00 -0.36 -0.55 0.00 0.34 0.00 0.00 59.36 58.79 2qbb h GLU 91 Cb 1.00 0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 29.75 2qbb h GLU 91 CO 0.00 1.17 0.21 0.42 -1.16 0.00 0.00 179.01 179.66 2qbb s ILE 92 N -2.43 4.93 0.22 3.13 1.09 -1.26 -5.02 121.20 121.85 2qbb s ILE 92 Ca -0.19 1.72 -0.30 0.00 -1.10 0.00 0.00 60.65 60.78 2qbb s ILE 92 Cb 0.03 -4.16 -0.08 0.00 -1.06 0.00 0.00 42.46 37.18 2qbb s ILE 92 CO 0.76 0.23 1.12 -2.16 -0.10 0.00 0.00 174.94 174.79 2qbb s PRO 93 N 0.76 4.59 -0.16 2.79 0.04 -1.26 -3.54 135.00 138.20 2qbb s PRO 93 Ca 0.43 1.79 0.00 0.00 0.04 0.00 0.00 61.00 63.26 2qbb s PRO 93 Cb -0.19 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.11 2qbb s PRO 93 CO 0.23 0.08 0.00 0.41 0.04 0.00 0.00 177.00 177.76 2qbb n GLY 94 N 1.77 0.27 3.53 0.56 0.00 -1.26 -4.97 105.19 105.08 2qbb n GLY 94 Ca 0.02 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 2qbb n GLY 94 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qbb s LEU 95 N -0.35 3.78 0.23 0.99 2.96 -1.23 -5.07 118.68 119.98 2qbb s LEU 95 Ca 0.00 -0.10 -0.08 0.00 -0.22 0.00 0.00 54.13 53.72 2qbb s LEU 95 Cb 0.00 -2.04 -0.02 0.00 0.50 0.00 0.00 46.19 44.64 2qbb s LEU 95 CO 0.00 -0.05 0.34 -1.59 -1.32 0.00 0.00 176.35 173.74 2qbb s LYS 96 N 1.70 1.40 -0.21 1.98 -2.85 -1.26 -4.93 119.74 115.57 2qbb s LYS 96 Ca 0.07 -1.38 -0.28 0.00 -1.00 0.00 0.00 55.97 53.37 2qbb s LYS 96 Cb -0.16 0.39 -0.06 0.00 -2.06 0.00 0.00 37.83 35.95 2qbb s LYS 96 CO 0.08 -0.54 2.21 1.63 0.10 0.00 0.00 175.35 178.83 2qbb n LYS 97 N -0.33 1.99 -1.56 1.78 4.76 -1.26 -4.96 118.16 118.58 2qbb n LYS 97 Ca -0.01 0.56 -0.31 0.00 -2.87 0.00 0.00 58.31 55.68 2qbb n LYS 97 Cb 0.63 -3.20 0.06 0.00 -1.84 0.00 0.00 35.03 30.68 2qbb n LYS 97 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qbb s ALA 98 N 8.07 2.61 -0.28 7.82 0.00 -1.26 -5.07 121.76 133.65 2qbb s ALA 98 Ca 1.00 0.05 -0.26 0.00 0.00 0.00 0.00 51.96 52.75 2qbb s ALA 98 Cb -0.36 -3.17 0.17 0.00 0.00 0.00 0.00 23.12 19.77 2qbb s ALA 98 CO 0.36 -1.30 1.31 -1.54 0.00 0.00 0.00 175.76 174.59 2qbb s SER 99 N -3.80 -0.15 0.00 0.00 1.04 -1.26 -5.34 113.70 104.20 2qbb s SER 99 Ca 0.58 0.24 0.00 0.00 0.48 0.00 0.00 55.95 57.26 2qbb s SER 99 Cb -0.14 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.21 2qbb s SER 99 CO 0.55 -0.07 0.00 -2.67 0.98 0.00 0.00 173.24 172.02