#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbd n LYS 2 N 0.00 -4.21 0.38 0.00 4.76 -1.26 -4.11 118.16 113.72 2qbd n LYS 2 Ca 0.00 3.12 -0.15 0.00 -2.87 0.00 0.00 58.31 58.41 2qbd n LYS 2 Cb 0.00 -3.44 -0.07 0.00 -1.84 0.00 0.00 35.03 29.68 2qbd n LYS 2 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 2qbd h GLN 3 N 3.31 -0.94 -0.50 1.97 5.75 -1.99 0.61 115.11 123.32 2qbd h GLN 3 Ca 0.00 0.06 0.09 0.00 -0.15 0.00 0.00 58.65 58.65 2qbd h GLN 3 Cb 0.00 0.21 -0.10 0.00 1.07 0.00 0.00 27.48 28.66 2qbd h GLN 3 CO 0.00 -0.62 -0.38 0.66 -2.65 0.00 0.00 178.83 175.83 2qbd h SER 4 N -1.06 -1.30 -0.33 -0.69 4.64 -2.00 0.31 113.55 113.12 2qbd h SER 4 Ca -0.10 0.22 0.06 0.00 -0.47 0.00 0.00 61.79 61.50 2qbd h SER 4 Cb 0.74 0.60 -0.06 0.00 -0.31 0.00 0.00 62.40 63.38 2qbd h SER 4 CO 0.16 -0.33 -0.03 0.24 -0.87 0.00 0.00 176.83 176.00 2qbd h MET 5 N -0.24 0.05 -0.95 4.77 2.86 -1.84 -1.18 114.93 118.40 2qbd h MET 5 Ca 0.18 -0.00 0.13 0.00 -2.06 0.00 0.00 59.70 57.95 2qbd h MET 5 Cb 0.56 -0.01 -0.08 0.00 0.06 0.00 0.00 31.60 32.13 2qbd h MET 5 CO -0.62 0.03 0.60 0.87 1.06 0.00 0.00 176.91 178.85 2qbd h LYS 6 N 0.05 0.83 -0.50 1.72 1.57 0.77 -0.33 116.57 120.69 2qbd h LYS 6 Ca 0.16 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.79 2qbd h LYS 6 Cb 0.23 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 2qbd h LYS 6 CO -0.29 0.55 -0.06 0.00 -0.57 0.00 0.00 179.45 179.08 2qbd h ALA 7 N 1.57 0.68 -0.75 3.86 0.00 0.02 -3.03 119.26 121.61 2qbd h ALA 7 Ca 0.47 -0.32 0.14 0.00 0.00 0.00 0.00 54.91 55.21 2qbd h ALA 7 Cb 0.59 -0.18 -0.14 0.00 0.00 0.00 0.00 17.79 18.06 2qbd h ALA 7 CO -0.24 0.54 -0.24 0.00 0.00 0.00 0.00 179.25 179.31 2qbd h ARG 8 N 0.78 -0.04 -0.58 0.00 3.08 0.08 0.08 114.38 117.78 2qbd h ARG 8 Ca 0.13 0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.30 2qbd h ARG 8 Cb 0.60 0.01 -0.11 0.00 0.08 0.00 0.00 29.97 30.55 2qbd h ARG 8 CO 0.04 -0.02 -0.10 1.49 -1.07 0.00 0.00 179.97 180.30 2qbd h GLU 9 N -0.04 0.03 -0.11 0.04 4.57 -1.38 -2.32 114.58 115.37 2qbd h GLU 9 Ca 0.34 -0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.53 2qbd h GLU 9 Cb 0.56 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.13 2qbd h GLU 9 CO -0.78 0.02 0.02 0.28 -1.18 0.00 0.00 179.01 177.36 2qbd h VAL 10 N 0.03 0.95 -0.54 0.32 2.07 -1.05 -2.63 116.25 115.41 2qbd h VAL 10 Ca 0.29 -0.02 0.11 0.00 0.82 0.00 0.00 66.70 67.89 2qbd h VAL 10 Cb 0.45 0.88 -0.10 0.00 -1.52 0.00 0.00 31.29 31.00 2qbd h VAL 10 CO -0.57 0.01 -0.16 0.11 0.02 0.00 0.00 177.57 176.98 2qbd h LYS 11 N 0.06 -0.02 -0.54 1.57 1.79 -0.96 -0.45 116.57 118.02 2qbd h LYS 11 Ca 0.05 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.56 2qbd h LYS 11 Cb 0.04 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 30.66 2qbd h LYS 11 CO -0.07 -0.02 0.29 0.00 -1.08 0.00 0.00 179.45 178.58 2qbd h ARG 12 N -0.03 0.55 -0.88 3.15 3.08 -1.33 -1.87 114.38 117.05 2qbd h ARG 12 Ca 0.26 -0.03 0.09 0.00 0.07 0.00 0.00 59.98 60.37 2qbd h ARG 12 Cb 0.42 -0.12 -0.06 0.00 0.08 0.00 0.00 29.97 30.28 2qbd h ARG 12 CO -0.56 0.36 0.57 0.28 -1.07 0.00 0.00 179.97 179.55 2qbd h VAL 13 N 0.56 0.98 0.55 2.04 2.07 -0.75 -0.38 116.25 121.32 2qbd h VAL 13 Ca 0.23 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 2qbd h VAL 13 Cb 0.11 0.02 0.01 0.00 -1.52 0.00 0.00 31.29 29.90 2qbd h VAL 13 CO -0.14 0.16 -0.26 0.00 0.02 0.00 0.00 177.57 177.35 2qbd h ALA 14 N 1.55 -0.86 -0.86 1.67 0.00 -0.52 -3.21 119.26 117.03 2qbd h ALA 14 Ca 0.40 -0.16 0.16 0.00 0.00 0.00 0.00 54.91 55.31 2qbd h ALA 14 Cb 0.38 0.29 -0.10 0.00 0.00 0.00 0.00 17.79 18.36 2qbd h ALA 14 CO -0.17 -0.81 0.42 -0.07 0.00 0.00 0.00 179.25 178.63 2qbd h LEU 15 N -1.02 0.48 -0.86 0.00 3.38 -1.26 0.31 115.31 116.33 2qbd h LEU 15 Ca -0.08 0.11 0.21 0.00 0.09 0.00 0.00 57.88 58.21 2qbd h LEU 15 Cb 0.57 0.04 -0.12 0.00 0.09 0.00 0.00 40.66 41.23 2qbd h LEU 15 CO 0.12 0.17 0.32 0.00 0.09 0.00 0.00 178.44 179.14 2qbd h ALA 16 N 1.59 1.30 0.15 1.53 0.00 -1.10 -1.60 119.26 121.13 2qbd h ALA 16 Ca 0.48 0.17 -0.34 0.00 0.00 0.00 0.00 54.91 55.22 2qbd h ALA 16 Cb 0.75 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 2qbd h ALA 16 CO -0.40 -0.35 -1.77 -0.44 0.00 0.00 0.00 179.25 176.28 2qbd h ASP 17 N 0.35 0.49 -0.58 0.00 3.32 -1.27 -1.48 116.42 117.25 2qbd h ASP 17 Ca 0.52 -0.82 0.12 0.00 0.02 0.00 0.00 57.03 56.87 2qbd h ASP 17 Cb 0.98 -0.16 -0.11 0.00 0.22 0.00 0.00 39.33 40.26 2qbd h ASP 17 CO -0.54 1.70 -0.16 0.11 -1.72 0.00 0.00 179.24 178.64 2qbd h LYS 18 N 0.09 -0.01 0.00 3.56 1.57 -0.18 -3.30 116.57 118.29 2qbd h LYS 18 Ca -0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 2qbd h LYS 18 Cb 2.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.38 2qbd h LYS 18 CO 0.15 -0.01 0.00 0.66 -0.57 0.00 0.00 179.45 179.68 2qbd n TYR 19 N -5.41 0.00 -0.16 -1.35 4.02 -0.68 -4.81 117.16 108.76 2qbd n TYR 19 Ca 0.06 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 58.05 2qbd n TYR 19 Cb 0.31 0.00 0.18 0.00 -0.02 0.00 0.00 39.34 39.81 2qbd n TYR 19 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 2qbd n PHE 20 N -0.32 0.38 -0.12 -0.72 3.01 -1.23 0.86 117.46 119.32 2qbd n PHE 20 Ca 0.00 0.58 0.26 0.00 1.01 0.00 0.00 57.45 59.30 2qbd n PHE 20 Cb 0.00 -0.91 0.58 0.00 -0.01 0.00 0.00 39.48 39.14 2qbd n PHE 20 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2qbd h ALA 21 N 0.96 2.69 0.00 4.37 0.00 -1.34 0.53 119.26 126.48 2qbd h ALA 21 Ca 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2qbd h ALA 21 Cb 0.73 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2qbd h ALA 21 CO -0.43 -1.37 -0.84 1.63 0.00 0.00 0.00 179.25 178.24 2qbd n LYS 22 N -3.46 0.21 0.09 0.00 5.02 0.25 -4.80 118.16 115.46 2qbd n LYS 22 Ca 0.18 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.35 2qbd n LYS 22 Cb 1.21 -0.92 -0.12 0.00 -0.02 0.00 0.00 35.03 35.18 2qbd n LYS 22 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qbd h ARG 23 N 0.00 0.19 0.00 1.97 3.08 -0.78 -3.20 114.38 115.65 2qbd h ARG 23 Ca 0.00 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 59.74 2qbd h ARG 23 Cb 0.84 0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.01 2qbd h ARG 23 CO 0.00 1.13 0.13 0.00 -1.07 0.00 0.00 179.97 180.16 2qbd h ALA 24 N 0.74 1.09 -0.69 0.04 0.00 -0.13 0.16 119.26 120.49 2qbd h ALA 24 Ca -0.09 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 2qbd h ALA 24 Cb 1.85 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.61 2qbd h ALA 24 CO 0.17 -0.09 0.20 0.93 0.00 0.00 0.00 179.25 180.46 2qbd h GLU 25 N 0.00 1.08 -1.00 0.00 5.08 -1.66 -3.21 114.58 114.87 2qbd h GLU 25 Ca 0.00 -0.24 0.18 0.00 -1.00 0.00 0.00 59.36 58.30 2qbd h GLU 25 Cb 0.26 -0.15 -0.18 0.00 0.50 0.00 0.00 28.75 29.18 2qbd h GLU 25 CO 0.00 0.94 -0.29 -0.11 -1.00 0.00 0.00 179.01 178.55 2qbd n LEU 26 N -4.29 -0.45 -0.05 1.33 0.00 0.57 -1.30 117.00 112.81 2qbd n LEU 26 Ca 0.05 1.72 -0.09 0.00 0.00 0.00 0.00 56.01 57.69 2qbd n LEU 26 Cb 0.23 -0.48 -0.02 0.00 0.00 0.00 0.00 43.42 43.15 2qbd n LEU 26 CO 0.41 -1.62 0.89 0.07 0.00 0.00 0.00 177.39 177.15 2qbd h LYS 27 N 0.00 0.12 0.00 1.96 5.09 -1.74 0.53 116.57 122.53 2qbd h LYS 27 Ca 0.44 -0.01 0.00 0.00 0.09 0.00 0.00 60.65 61.17 2qbd h LYS 27 Cb 0.68 -0.03 0.00 0.00 0.10 0.00 0.00 32.23 32.99 2qbd h LYS 27 CO -1.01 0.08 0.00 0.00 -2.09 0.00 0.00 179.45 176.43 2qbd n ALA 28 N -2.28 1.59 -1.61 0.07 0.00 -0.42 -0.87 120.51 116.99 2qbd n ALA 28 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2qbd n ALA 28 Cb 0.09 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.39 2qbd n ALA 28 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2qbd n ILE 29 N -1.30 0.00 0.47 0.00 5.41 0.54 -4.54 119.36 119.94 2qbd n ILE 29 Ca 0.04 0.00 -0.18 0.00 1.00 0.00 0.00 62.75 63.61 2qbd n ILE 29 Cb 0.08 -0.53 -0.09 0.00 -0.71 0.00 0.00 39.64 38.38 2qbd n ILE 29 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 2qbd h ILE 30 N 0.00 0.00 0.00 1.39 5.03 -0.25 -2.40 117.51 121.27 2qbd h ILE 30 Ca 0.00 -0.09 0.00 0.00 -0.12 0.00 0.00 64.86 64.65 2qbd h ILE 30 Cb 0.00 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 33.79 2qbd h ILE 30 CO 0.00 0.00 0.00 -1.20 -0.68 0.00 0.00 178.15 176.27 2qbd n SER 31 N -5.46 0.25 -4.82 1.72 7.64 -1.16 -4.01 113.62 107.78 2qbd n SER 31 Ca -0.15 0.62 -0.29 0.00 1.01 0.00 0.00 58.87 60.06 2qbd n SER 31 Cb 0.47 -0.65 0.11 0.00 -1.01 0.00 0.00 64.21 63.14 2qbd n SER 31 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2qbd s ASP 32 N -3.46 4.00 -0.93 6.43 3.68 -0.05 -3.54 116.67 122.82 2qbd s ASP 32 Ca -0.01 1.01 -0.25 0.00 2.13 0.00 0.00 52.55 55.43 2qbd s ASP 32 Cb 0.03 -1.61 -0.08 0.00 -1.45 0.00 0.00 42.92 39.81 2qbd s ASP 32 CO 0.09 -2.25 2.05 -0.69 0.13 0.00 0.00 175.17 174.50 2qbd s VAL 33 N -3.32 3.35 0.00 1.11 1.01 -1.26 -3.74 120.40 117.56 2qbd s VAL 33 Ca 0.63 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.25 2qbd s VAL 33 Cb -0.14 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.36 2qbd s VAL 33 CO 0.53 -0.73 0.00 0.59 0.00 0.00 0.00 175.10 175.49 2qbd n ASN 34 N 15.25 0.00 -2.69 3.32 4.13 -1.26 -5.06 115.26 128.94 2qbd n ASN 34 Ca 0.42 0.00 -0.06 0.00 1.68 0.00 0.00 54.58 56.62 2qbd n ASN 34 Cb 0.46 0.00 0.10 0.00 -1.54 0.00 0.00 39.78 38.80 2qbd n ASN 34 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2qbd n ALA 35 N -3.00 -2.03 -0.09 5.41 0.00 -1.26 -5.18 120.51 114.35 2qbd n ALA 35 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.53 2qbd n ALA 35 Cb 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.26 2qbd n ALA 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qbd n ARG 40 N 0.47 0.00 -2.55 0.00 5.12 -1.23 -5.14 116.66 113.33 2qbd n ARG 40 Ca -0.00 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.49 2qbd n ARG 40 Cb 0.73 -0.09 -0.02 0.00 -1.16 0.00 0.00 32.46 31.92 2qbd n ARG 40 CO 0.00 0.00 0.00 -0.46 -1.93 0.00 0.00 177.63 175.24 2qbd s TRP 41 N 0.00 2.81 0.13 -1.55 -0.11 -1.26 -4.92 118.94 114.04 2qbd s TRP 41 Ca 0.00 0.84 -0.19 0.00 1.22 0.00 0.00 56.10 57.97 2qbd s TRP 41 Cb 0.00 -4.18 -0.03 0.00 -1.50 0.00 0.00 33.47 27.76 2qbd s TRP 41 CO 0.00 -1.31 1.76 -0.97 -4.62 0.00 0.00 176.95 171.81 2qbd h ASN 42 N 9.19 0.16 -0.04 5.86 -0.73 -1.98 -1.73 115.58 126.32 2qbd h ASN 42 Ca -0.23 0.01 0.04 0.00 1.87 0.00 0.00 56.30 57.98 2qbd h ASN 42 Cb 1.07 -0.02 -0.06 0.00 0.27 0.00 0.00 38.32 39.59 2qbd h ASN 42 CO 1.09 0.13 -0.39 0.00 -0.37 0.00 0.00 177.43 177.89 2qbd h ALA 43 N 1.13 -0.58 -0.11 1.57 0.00 -1.96 0.64 119.26 119.96 2qbd h ALA 43 Ca 0.10 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.03 2qbd h ALA 43 Cb 0.03 0.70 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 2qbd h ALA 43 CO -0.07 -0.91 -0.23 0.28 0.00 0.00 0.00 179.25 178.32 2qbd h VAL 44 N -0.52 0.44 -0.05 0.00 2.07 -1.95 -1.13 116.25 115.10 2qbd h VAL 44 Ca 0.06 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 2qbd h VAL 44 Cb 0.62 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 2qbd h VAL 44 CO -0.33 0.00 -0.03 0.25 0.02 0.00 0.00 177.57 177.49 2qbd h LEU 45 N -0.31 0.07 -0.18 2.57 6.46 -0.84 -0.26 115.31 122.82 2qbd h LEU 45 Ca 0.09 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.85 2qbd h LEU 45 Cb 0.45 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.36 2qbd h LEU 45 CO -0.29 0.11 0.00 0.29 -0.62 0.00 0.00 178.44 177.93 2qbd n LYS 46 N -4.46 0.77 0.00 1.25 4.76 0.22 -3.47 118.16 117.23 2qbd n LYS 46 Ca -0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 2qbd n LYS 46 Cb 0.14 -1.07 0.00 0.00 -1.84 0.00 0.00 35.03 32.26 2qbd n LYS 46 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2qbd n LEU 47 N -0.39 0.60 0.05 -0.35 0.00 -0.26 -4.79 117.00 111.86 2qbd n LEU 47 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 56.01 56.03 2qbd n LEU 47 Cb 0.03 0.00 0.12 0.00 0.00 0.00 0.00 43.42 43.57 2qbd n LEU 47 CO 0.00 0.10 0.59 0.00 0.00 0.00 0.00 177.39 178.08 2qbd n GLN 48 N -1.59 0.03 -3.61 1.96 -0.00 -0.33 -4.31 117.38 109.53 2qbd n GLN 48 Ca 0.00 0.41 -0.38 0.00 -0.00 0.00 0.00 57.00 57.03 2qbd n GLN 48 Cb 0.12 -1.79 -0.11 0.00 -0.00 0.00 0.00 30.24 28.46 2qbd n GLN 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 2qbd s THR 49 N -2.87 5.18 0.00 -0.39 2.01 -1.26 -4.67 115.64 113.64 2qbd s THR 49 Ca -0.00 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.09 2qbd s THR 49 Cb 0.01 -3.48 0.00 0.00 0.01 0.00 0.00 72.50 69.04 2qbd s THR 49 CO 0.04 0.24 0.00 0.00 -0.69 0.00 0.00 174.62 174.21 2qbd n LEU 50 N 5.05 0.00 -0.00 4.42 -0.00 -1.26 -5.00 117.00 120.20 2qbd n LEU 50 Ca -0.14 0.00 -0.17 0.00 -0.00 0.00 0.00 56.01 55.70 2qbd n LEU 50 Cb 0.52 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.82 2qbd n LEU 50 CO 0.33 0.00 0.27 1.55 -0.00 0.00 0.00 177.39 179.54 2qbd h PRO 51 N 0.00 0.34 0.00 1.47 0.13 -1.93 -3.47 132.00 128.55 2qbd h PRO 51 Ca 0.00 -0.38 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2qbd h PRO 51 Cb 0.00 0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.24 2qbd h PRO 51 CO 0.00 1.07 0.00 -2.13 -0.23 0.00 0.00 178.00 176.71 2qbd n ARG 52 N -4.28 0.00 0.00 0.86 3.00 -1.26 -3.82 116.66 111.15 2qbd n ARG 52 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.75 2qbd n ARG 52 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.10 2qbd n ARG 52 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2qbd n ASP 53 N 2.87 0.00 0.11 6.15 2.03 -1.26 -0.18 116.55 126.26 2qbd n ASP 53 Ca 0.00 0.20 0.13 0.00 0.52 0.00 0.00 54.79 55.64 2qbd n ASP 53 Cb 0.00 -0.20 0.40 0.00 -0.72 0.00 0.00 41.12 40.60 2qbd n ASP 53 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2qbd n SER 54 N -1.18 0.84 -4.72 1.67 2.88 -1.25 -4.27 113.62 107.59 2qbd n SER 54 Ca 0.00 0.58 -0.42 0.00 -1.33 0.00 0.00 58.87 57.70 2qbd n SER 54 Cb 0.01 -0.80 -0.03 0.00 -0.75 0.00 0.00 64.21 62.64 2qbd n SER 54 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2qbd s SER 55 N -4.58 6.57 0.00 -3.46 0.01 0.74 -3.78 113.70 109.20 2qbd s SER 55 Ca 0.11 2.65 0.19 0.00 1.31 0.00 0.00 55.95 60.20 2qbd s SER 55 Cb 0.12 -2.60 1.05 0.00 0.21 0.00 0.00 66.02 64.80 2qbd s SER 55 CO 0.60 -0.83 1.56 -0.81 0.41 0.00 0.00 173.24 174.16 2qbd n PRO 56 N 3.86 0.43 -1.08 12.44 -0.04 -1.26 -3.11 135.00 146.24 2qbd n PRO 56 Ca 0.14 0.06 -0.13 0.00 -0.04 0.00 0.00 63.50 63.52 2qbd n PRO 56 Cb 0.38 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.58 2qbd n PRO 56 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2qbd n SER 57 N -1.15 4.11 -0.10 3.54 7.64 -1.26 -4.23 113.62 122.18 2qbd n SER 57 Ca 0.12 -3.44 0.02 0.00 1.01 0.00 0.00 58.87 56.57 2qbd n SER 57 Cb 0.11 -0.77 -0.00 0.00 -1.01 0.00 0.00 64.21 62.53 2qbd n SER 57 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2qbd n ARG 58 N -0.70 2.53 -2.05 1.43 1.74 -1.18 -5.03 116.66 113.40 2qbd n ARG 58 Ca 0.48 -0.40 -0.33 0.00 -0.77 0.00 0.00 57.85 56.83 2qbd n ARG 58 Cb 1.47 -0.90 0.01 0.00 -1.02 0.00 0.00 32.46 32.02 2qbd n ARG 58 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2qbd s GLN 59 N -0.88 3.28 -0.05 5.56 -0.21 -1.26 -4.98 119.66 121.11 2qbd s GLN 59 Ca 0.04 1.26 0.10 0.00 0.02 0.00 0.00 55.36 56.77 2qbd s GLN 59 Cb 0.04 -2.02 0.17 0.00 1.00 0.00 0.00 33.01 32.19 2qbd s GLN 59 CO 0.11 -0.85 1.08 2.89 -2.12 0.00 0.00 175.29 176.40 2qbd n ARG 60 N -1.98 0.50 0.00 2.91 1.85 -1.26 -5.05 116.66 113.62 2qbd n ARG 60 Ca 0.09 -1.77 0.00 0.00 -1.00 0.00 0.00 57.85 55.17 2qbd n ARG 60 Cb 0.53 -0.81 0.00 0.00 -1.05 0.00 0.00 32.46 31.12 2qbd n ARG 60 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2qbd n ASN 61 N -0.44 0.00 -0.89 2.89 5.03 -1.26 -4.77 115.26 115.82 2qbd n ASN 61 Ca 0.07 0.00 0.06 0.00 0.87 0.00 0.00 54.58 55.58 2qbd n ASN 61 Cb 0.74 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 39.47 2qbd n ASN 61 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2qbd n ARG 62 N 0.00 -2.18 -1.84 3.52 1.74 -1.26 -4.72 116.66 111.92 2qbd n ARG 62 Ca 0.00 1.74 -0.42 0.00 -0.77 0.00 0.00 57.85 58.40 2qbd n ARG 62 Cb 0.00 -2.35 -0.03 0.00 -1.02 0.00 0.00 32.46 29.07 2qbd n ARG 62 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qbd n ARG 64 N 7.21 0.01 0.00 0.00 3.00 -0.81 -0.25 116.66 125.82 2qbd n ARG 64 Ca 0.18 0.44 0.00 0.00 -0.00 0.00 0.00 57.85 58.47 2qbd n ARG 64 Cb 0.42 -1.63 0.00 0.00 0.00 0.00 0.00 32.46 31.25 2qbd n ARG 64 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 2qbd n GLN 65 N -1.50 0.00 -0.03 -0.14 -0.06 -1.26 -4.88 117.38 109.51 2qbd n GLN 65 Ca -0.00 0.00 -0.14 0.00 -2.00 0.00 0.00 57.00 54.85 2qbd n GLN 65 Cb 0.09 -0.07 -0.11 0.00 -4.06 0.00 0.00 30.24 26.09 2qbd n GLN 65 CO 0.00 0.00 0.00 1.79 -0.20 0.00 0.00 177.06 178.65 2qbd h THR 66 N 0.00 1.54 0.00 1.69 1.35 -1.95 -3.48 112.91 112.06 2qbd h THR 66 Ca 0.00 -1.81 0.00 0.00 -0.55 0.00 0.00 66.41 64.05 2qbd h THR 66 Cb 0.00 2.69 0.00 0.00 -1.73 0.00 0.00 68.15 69.11 2qbd h THR 66 CO 0.00 0.49 0.00 0.61 -0.25 0.00 0.00 175.52 176.37 2qbd n GLY 67 N 0.92 1.19 3.57 5.82 0.00 0.65 -4.57 105.19 112.76 2qbd n GLY 67 Ca -0.09 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.44 2qbd n GLY 67 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2qbd n ARG 68 N -0.77 1.62 0.12 1.61 0.63 -1.26 -3.37 116.66 115.24 2qbd n ARG 68 Ca 0.00 0.51 -0.13 0.00 -0.92 0.00 0.00 57.85 57.31 2qbd n ARG 68 Cb 0.00 -2.67 -0.06 0.00 0.45 0.00 0.00 32.46 30.18 2qbd n ARG 68 CO 0.00 0.00 0.00 -1.00 -2.51 0.00 0.00 177.63 174.12 2qbd h PRO 69 N 11.75 -0.33 0.00 -0.14 0.13 -1.91 -2.38 132.00 139.11 2qbd h PRO 69 Ca -0.38 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2qbd h PRO 69 Cb 1.29 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.49 2qbd h PRO 69 CO 0.98 -0.22 0.00 0.72 -0.23 0.00 0.00 178.00 179.25 2qbd n HIS 70 N -5.29 0.00 -0.57 1.56 8.25 -1.26 -4.37 115.22 113.55 2qbd n HIS 70 Ca -0.07 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.12 2qbd n HIS 70 Cb 0.20 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.26 2qbd n HIS 70 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2qbd n GLY 71 N 0.13 -0.04 3.34 -1.41 0.00 -1.26 -4.89 105.19 101.06 2qbd n GLY 71 Ca 0.00 0.47 -0.10 0.00 0.00 0.00 0.00 46.02 46.39 2qbd n GLY 71 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2qbd s PHE 72 N 2.37 0.52 -0.29 1.61 2.19 -1.26 -3.32 117.98 119.80 2qbd s PHE 72 Ca 0.50 -0.87 0.02 0.00 0.33 0.00 0.00 56.93 56.92 2qbd s PHE 72 Cb -0.64 -0.12 0.18 0.00 -1.31 0.00 0.00 43.02 41.14 2qbd s PHE 72 CO 0.29 -0.73 0.55 -0.51 1.83 0.00 0.00 175.22 176.65 2qbd s LEU 73 N -3.00 -1.34 0.22 6.12 1.43 -1.23 -4.73 118.68 116.15 2qbd s LEU 73 Ca 0.21 0.32 -0.15 0.00 -1.03 0.00 0.00 54.13 53.48 2qbd s LEU 73 Cb 0.04 1.85 0.26 0.00 0.03 0.00 0.00 46.19 48.36 2qbd s LEU 73 CO 0.03 -0.30 1.44 0.54 0.23 0.00 0.00 176.35 178.30 2qbd n ARG 74 N 5.41 -0.19 0.00 1.70 5.12 -1.26 0.62 116.66 128.05 2qbd n ARG 74 Ca 0.02 1.43 0.00 0.00 -1.93 0.00 0.00 57.85 57.37 2qbd n ARG 74 Cb 0.52 -2.13 0.00 0.00 -1.16 0.00 0.00 32.46 29.69 2qbd n ARG 74 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 2qbd n LYS 75 N -5.39 0.00 0.20 5.56 3.00 -1.26 -2.82 118.16 117.45 2qbd n LYS 75 Ca 0.10 0.71 0.09 0.00 -0.00 0.00 0.00 58.31 59.22 2qbd n LYS 75 Cb 0.39 -1.28 0.22 0.00 0.00 0.00 0.00 35.03 34.36 2qbd n LYS 75 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.40 178.14 2qbd h PHE 76 N 0.00 0.00 -0.40 5.64 -1.00 -1.93 -3.47 116.94 115.78 2qbd h PHE 76 Ca 0.00 0.00 -0.17 0.00 2.81 0.00 0.00 57.97 60.61 2qbd h PHE 76 Cb 0.00 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 39.49 2qbd h PHE 76 CO -0.44 0.19 -0.16 0.41 -1.61 0.00 0.00 178.31 176.70 2qbd n GLY 77 N 0.88 1.03 3.28 -1.45 0.00 0.20 -4.99 105.19 104.16 2qbd n GLY 77 Ca 0.02 -0.63 -0.22 0.00 0.00 0.00 0.00 46.02 45.19 2qbd n GLY 77 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qbd s LEU 78 N -1.92 2.34 0.84 0.99 1.02 -1.25 -1.93 118.68 118.76 2qbd s LEU 78 Ca 0.00 -0.73 -0.13 0.00 0.02 0.00 0.00 54.13 53.29 2qbd s LEU 78 Cb 0.00 -0.82 0.07 0.00 0.02 0.00 0.00 46.19 45.46 2qbd s LEU 78 CO 0.00 0.01 0.97 -1.54 0.02 0.00 0.00 176.35 175.81 2qbd n SER 79 N 0.87 0.08 -0.12 2.29 3.41 -1.25 -3.52 113.62 115.38 2qbd n SER 79 Ca -0.18 0.52 0.27 0.00 -0.26 0.00 0.00 58.87 59.21 2qbd n SER 79 Cb 0.55 -1.41 0.72 0.00 -0.26 0.00 0.00 64.21 63.80 2qbd n SER 79 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 2qbd h ARG 80 N -1.12 0.00 0.28 4.33 0.11 -1.84 -2.24 114.38 113.90 2qbd h ARG 80 Ca -0.45 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.62 2qbd h ARG 80 Cb 1.30 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.38 2qbd h ARG 80 CO 0.43 0.00 -0.13 0.82 0.10 0.00 0.00 179.97 181.18 2qbd h ILE 81 N 0.00 0.29 -0.62 0.08 2.04 -1.89 -3.25 117.51 114.15 2qbd h ILE 81 Ca 0.37 -0.83 0.11 0.00 1.00 0.00 0.00 64.86 65.51 2qbd h ILE 81 Cb 1.58 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 38.11 2qbd h ILE 81 CO -0.00 0.08 0.42 0.11 0.00 0.00 0.00 178.15 178.75 2qbd h LYS 82 N -1.04 0.37 -0.11 2.37 1.79 -1.80 -1.50 116.57 116.65 2qbd h LYS 82 Ca -0.04 -0.02 0.04 0.00 -2.18 0.00 0.00 60.65 58.45 2qbd h LYS 82 Cb 0.41 -0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 30.93 2qbd h LYS 82 CO 0.06 0.25 -0.13 0.28 -1.08 0.00 0.00 179.45 178.83 2qbd h VAL 83 N 0.38 0.64 0.72 0.50 2.07 -1.50 -0.91 116.25 118.16 2qbd h VAL 83 Ca 0.29 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.78 2qbd h VAL 83 Cb 0.63 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 2qbd h VAL 83 CO -0.08 0.00 -0.43 -0.09 0.02 0.00 0.00 177.57 176.99 2qbd h ARG 84 N -0.17 -1.03 -0.87 1.57 2.43 -1.31 0.51 114.38 115.51 2qbd h ARG 84 Ca 0.09 0.07 0.22 0.00 -0.81 0.00 0.00 59.98 59.54 2qbd h ARG 84 Cb 0.29 0.23 -0.13 0.00 -0.42 0.00 0.00 29.97 29.95 2qbd h ARG 84 CO -0.21 -0.69 0.33 0.93 -1.51 0.00 0.00 179.97 178.82 2qbd h GLU 85 N -1.07 0.33 -0.06 0.20 5.08 -1.39 -0.65 114.58 117.02 2qbd h GLU 85 Ca -0.10 -0.02 -0.17 0.00 -1.00 0.00 0.00 59.36 58.07 2qbd h GLU 85 Cb 0.85 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 30.04 2qbd h GLU 85 CO 0.11 0.22 -0.63 0.00 -1.00 0.00 0.00 179.01 177.70 2qbd h ALA 86 N 1.72 0.16 -0.42 3.43 0.00 -1.01 -3.24 119.26 119.89 2qbd h ALA 86 Ca 0.54 -0.56 0.04 0.00 0.00 0.00 0.00 54.91 54.93 2qbd h ALA 86 Cb 1.04 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 2qbd h ALA 86 CO -0.56 0.44 0.19 0.00 0.00 0.00 0.00 179.25 179.32 2qbd h ALA 87 N 0.42 0.52 0.00 0.00 0.00 0.12 -0.94 119.26 119.39 2qbd h ALA 87 Ca -0.06 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2qbd h ALA 87 Cb 1.30 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 2qbd h ALA 87 CO 0.13 -0.17 -0.14 0.52 0.00 0.00 0.00 179.25 179.59 2qbd h MET 88 N 0.39 0.00 -0.00 0.00 2.86 -1.27 -1.23 114.93 115.68 2qbd h MET 88 Ca 0.19 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 2qbd h MET 88 Cb 0.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.78 2qbd h MET 88 CO -0.15 0.14 -0.15 0.54 1.06 0.00 0.00 176.91 178.34 2qbd n ARG 89 N -3.95 0.29 -0.76 1.72 1.74 -0.85 -4.89 116.66 109.95 2qbd n ARG 89 Ca -0.02 -0.09 0.00 0.00 -0.77 0.00 0.00 57.85 56.97 2qbd n ARG 89 Cb 0.23 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 2qbd n ARG 89 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qbd n GLY 90 N 1.40 0.64 0.29 -0.13 0.00 -0.46 -4.90 105.19 102.02 2qbd n GLY 90 Ca 0.10 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.28 2qbd n GLY 90 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2qbd h GLU 91 N 1.83 0.00 -5.00 1.61 5.08 -1.39 -3.39 114.58 113.32 2qbd h GLU 91 Ca 0.00 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.72 2qbd h GLU 91 Cb 0.00 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 29.05 2qbd h GLU 91 CO 0.00 0.06 -0.60 0.42 -1.00 0.00 0.00 179.01 177.89 2qbd s ILE 92 N -4.24 4.56 0.38 3.13 1.01 -1.25 -4.98 121.20 119.81 2qbd s ILE 92 Ca -0.03 -0.09 -0.26 0.00 0.00 0.00 0.00 60.65 60.27 2qbd s ILE 92 Cb 0.13 -3.12 -0.09 0.00 0.01 0.00 0.00 42.46 39.39 2qbd s ILE 92 CO 0.54 0.35 1.13 -2.16 0.00 0.00 0.00 174.94 174.80 2qbd s PRO 93 N 1.40 4.19 0.00 2.79 0.04 -1.26 -3.75 135.00 138.41 2qbd s PRO 93 Ca 0.06 1.77 0.00 0.00 0.04 0.00 0.00 61.00 62.87 2qbd s PRO 93 Cb -0.15 -2.75 0.00 0.00 0.04 0.00 0.00 34.50 31.64 2qbd s PRO 93 CO 0.04 -0.18 0.00 0.41 0.04 0.00 0.00 177.00 177.31 2qbd n GLY 94 N 0.67 1.13 3.74 0.56 0.00 -1.26 -4.93 105.19 105.10 2qbd n GLY 94 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 2qbd n GLY 94 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qbd s LEU 95 N 0.00 4.46 0.12 0.99 2.96 -1.25 -5.02 118.68 120.95 2qbd s LEU 95 Ca 0.00 2.24 -0.25 0.00 -0.22 0.00 0.00 54.13 55.89 2qbd s LEU 95 Cb 0.00 -3.61 0.07 0.00 0.50 0.00 0.00 46.19 43.15 2qbd s LEU 95 CO 0.00 -0.34 0.83 -1.59 -1.32 0.00 0.00 176.35 173.93 2qbd s LYS 96 N -0.41 1.16 -0.36 1.98 -2.85 -1.26 -4.95 119.74 113.05 2qbd s LYS 96 Ca 0.52 -0.54 -0.35 0.00 -1.00 0.00 0.00 55.97 54.59 2qbd s LYS 96 Cb -0.32 0.46 -0.12 0.00 -2.06 0.00 0.00 37.83 35.79 2qbd s LYS 96 CO 0.37 -0.52 2.20 1.63 0.10 0.00 0.00 175.35 179.13 2qbd n LYS 97 N -0.37 1.04 -3.03 1.78 4.76 -1.26 -4.92 118.16 116.16 2qbd n LYS 97 Ca -0.09 0.28 -0.39 0.00 -2.87 0.00 0.00 58.31 55.24 2qbd n LYS 97 Cb 0.62 -2.44 -0.06 0.00 -1.84 0.00 0.00 35.03 31.31 2qbd n LYS 97 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qbd s ALA 98 N 7.36 3.45 -0.39 7.82 0.00 -1.26 -5.03 121.76 133.71 2qbd s ALA 98 Ca 1.10 0.29 0.07 0.00 0.00 0.00 0.00 51.96 53.41 2qbd s ALA 98 Cb -0.87 -2.91 0.18 0.00 0.00 0.00 0.00 23.12 19.52 2qbd s ALA 98 CO 0.49 0.25 0.58 -1.54 0.00 0.00 0.00 175.76 175.54 2qbd s SER 99 N -0.84 -1.08 0.00 0.00 1.04 -1.26 -5.34 113.70 106.22 2qbd s SER 99 Ca 0.35 -0.80 0.17 0.00 0.48 0.00 0.00 55.95 56.15 2qbd s SER 99 Cb -0.22 1.73 0.14 0.00 0.10 0.00 0.00 66.02 67.77 2qbd s SER 99 CO 0.24 -0.20 1.05 -2.67 0.98 0.00 0.00 173.24 172.64