#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qgp s TYR 3 N 0.00 -0.12 0.21 1.20 1.13 -1.26 -5.18 117.35 113.33 2qgp s TYR 3 Ca 0.00 -0.30 -0.20 0.00 -1.41 0.00 0.00 57.07 55.16 2qgp s TYR 3 Cb 0.00 0.70 0.03 0.00 -1.10 0.00 0.00 41.96 41.59 2qgp s TYR 3 CO 0.00 -1.11 0.59 -0.59 -2.51 0.00 0.00 175.55 171.93 2qgp s PHE 4 N -3.44 -0.22 -0.24 -3.49 -0.71 -1.26 -5.16 117.98 103.47 2qgp s PHE 4 Ca 0.12 -0.12 -0.02 0.00 -1.04 0.00 0.00 56.93 55.87 2qgp s PHE 4 Cb -0.04 0.51 0.01 0.00 -1.21 0.00 0.00 43.02 42.29 2qgp s PHE 4 CO 0.06 -0.99 -0.06 0.42 -1.34 0.00 0.00 175.22 173.31 2qgp s ILE 5 N -3.86 3.03 0.15 -4.49 1.01 -1.26 -5.10 121.20 110.67 2qgp s ILE 5 Ca 0.08 -0.83 -0.11 0.00 0.00 0.00 0.00 60.65 59.79 2qgp s ILE 5 Cb -0.02 -2.47 -0.07 0.00 0.01 0.00 0.00 42.46 39.91 2qgp s ILE 5 CO -0.02 0.29 0.49 -0.69 0.00 0.00 0.00 174.94 175.01 2qgp s VAL 6 N 1.38 4.98 0.02 2.92 1.01 -1.26 -5.09 120.40 124.36 2qgp s VAL 6 Ca 0.03 0.54 0.06 0.00 0.00 0.00 0.00 61.98 62.61 2qgp s VAL 6 Cb -0.16 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 2qgp s VAL 6 CO -0.04 0.15 -0.19 -1.83 0.00 0.00 0.00 175.10 173.19 2qgp s GLU 7 N -2.24 1.36 -0.26 2.72 -1.05 -1.26 -5.10 118.70 112.87 2qgp s GLU 7 Ca 0.39 -0.79 -0.02 0.00 -0.15 0.00 0.00 54.97 54.40 2qgp s GLU 7 Cb -0.13 -1.39 0.03 0.00 -0.44 0.00 0.00 34.13 32.19 2qgp s GLU 7 CO 0.20 0.37 -0.04 0.08 0.95 0.00 0.00 175.26 176.81 2qgp s VAL 8 N -0.64 2.99 1.23 1.83 1.01 -1.26 -5.04 120.40 120.52 2qgp s VAL 8 Ca 0.06 -1.05 -0.15 0.00 0.00 0.00 0.00 61.98 60.85 2qgp s VAL 8 Cb -0.08 -2.55 0.31 0.00 0.00 0.00 0.00 36.38 34.06 2qgp s VAL 8 CO 0.01 0.14 1.00 -0.94 0.00 0.00 0.00 175.10 175.31 2qgp s SER 9 N 1.33 0.44 0.11 3.32 1.04 -1.26 -4.82 113.70 113.85 2qgp s SER 9 Ca -0.00 1.36 0.25 0.00 0.48 0.00 0.00 55.95 58.04 2qgp s SER 9 Cb -0.17 -2.09 0.58 0.00 0.10 0.00 0.00 66.02 64.44 2qgp s SER 9 CO -0.03 -4.51 1.51 1.21 0.98 0.00 0.00 173.24 172.39 2qgp n GLU 10 N -5.11 0.20 0.03 4.02 2.13 -1.26 -2.14 120.64 118.52 2qgp n GLU 10 Ca 0.04 0.09 -0.07 0.00 0.66 0.00 0.00 57.16 57.89 2qgp n GLU 10 Cb 0.55 -1.66 -0.12 0.00 0.27 0.00 0.00 31.44 30.49 2qgp n GLU 10 CO 0.00 0.00 0.00 -0.56 -0.41 0.00 0.00 177.13 176.16 2qgp h GLN 11 N 0.00 0.00 -0.29 5.31 3.07 -1.99 -2.55 115.11 118.66 2qgp h GLN 11 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.61 2qgp h GLN 11 Cb 0.67 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.23 2qgp h GLN 11 CO 0.00 0.76 -0.34 0.93 0.09 0.00 0.00 178.83 180.27 2qgp h GLU 12 N 0.00 0.74 -0.42 0.06 5.08 -1.89 -0.52 114.58 117.63 2qgp h GLU 12 Ca -0.11 -0.41 -0.10 0.00 -1.00 0.00 0.00 59.36 57.74 2qgp h GLU 12 Cb 1.82 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 31.08 2qgp h GLU 12 CO 0.10 1.03 -0.14 0.28 -1.00 0.00 0.00 179.01 179.29 2qgp h VAL 13 N 0.49 1.26 0.04 3.13 2.07 -1.48 -2.19 116.25 119.57 2qgp h VAL 13 Ca 0.04 -1.21 -0.00 0.00 0.82 0.00 0.00 66.70 66.35 2qgp h VAL 13 Cb 0.92 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 2qgp h VAL 13 CO 0.08 0.41 -0.02 0.11 0.02 0.00 0.00 177.57 178.17 2qgp h LYS 14 N 0.69 -0.05 -0.49 1.57 1.57 -1.35 0.34 116.57 118.86 2qgp h LYS 14 Ca 0.11 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.97 2qgp h LYS 14 Cb 0.62 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.88 2qgp h LYS 14 CO 0.04 0.27 0.13 -0.09 -0.57 0.00 0.00 179.45 179.23 2qgp h ARG 15 N -0.37 0.27 -0.35 3.15 2.43 -1.01 0.12 114.38 118.62 2qgp h ARG 15 Ca -0.01 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.07 2qgp h ARG 15 Cb 0.34 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 2qgp h ARG 15 CO 0.01 0.18 -0.13 1.49 -1.51 0.00 0.00 179.97 180.01 2qgp h GLU 16 N 0.28 0.61 0.00 0.20 4.57 -1.36 -0.19 114.58 118.68 2qgp h GLU 16 Ca 0.24 -0.19 -0.00 0.00 -1.18 0.00 0.00 59.36 58.23 2qgp h GLU 16 Cb 0.30 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.83 2qgp h GLU 16 CO -0.29 0.72 -0.01 0.87 -1.18 0.00 0.00 179.01 179.13 2qgp h LYS 17 N 0.56 0.00 0.07 1.92 1.57 0.74 -2.20 116.57 119.23 2qgp h LYS 17 Ca 0.10 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.59 2qgp h LYS 17 Cb 0.55 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.84 2qgp h LYS 17 CO 0.03 0.01 -1.54 0.93 -0.57 0.00 0.00 179.45 178.31 2qgp h GLU 18 N 0.00 0.14 -0.04 3.15 5.08 -0.14 -3.18 114.58 119.59 2qgp h GLU 18 Ca -0.00 -0.25 0.01 0.00 -1.00 0.00 0.00 59.36 58.13 2qgp h GLU 18 Cb 0.58 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 2qgp h GLU 18 CO 0.00 1.12 0.04 0.87 -1.00 0.00 0.00 179.01 180.04 2qgp h LYS 19 N -0.48 0.00 -0.05 2.33 1.57 -1.05 -1.90 116.57 116.99 2qgp h LYS 19 Ca -0.36 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.39 2qgp h LYS 19 Cb 1.66 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.96 2qgp h LYS 19 CO -0.05 0.00 -0.07 0.00 -0.57 0.00 0.00 179.45 178.76 2qgp h ALA 20 N 1.96 0.08 0.00 3.86 0.00 -1.49 -1.36 119.26 122.30 2qgp h ALA 20 Ca 0.02 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 2qgp h ALA 20 Cb 0.11 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2qgp h ALA 20 CO -0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 179.25 179.15 2qgp h ARG 21 N -0.33 0.00 0.07 0.00 3.08 -1.32 0.22 114.38 116.11 2qgp h ARG 21 Ca 0.01 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.75 2qgp h ARG 21 Cb 0.60 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 2qgp h ARG 21 CO 0.02 0.00 -1.61 1.49 -1.07 0.00 0.00 179.97 178.79 2qgp h GLU 22 N 0.00 0.16 0.00 0.04 4.57 -1.42 -3.05 114.58 114.88 2qgp h GLU 22 Ca -0.00 -0.27 -0.12 0.00 -1.18 0.00 0.00 59.36 57.79 2qgp h GLU 22 Cb 0.00 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.68 2qgp h GLU 22 CO 0.00 0.94 -0.57 1.25 -1.18 0.00 0.00 179.01 179.45 2qgp h LEU 23 N 0.04 0.00 -0.51 1.64 5.85 0.06 -2.83 115.31 119.56 2qgp h LEU 23 Ca -0.26 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.29 2qgp h LEU 23 Cb 2.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 43.02 2qgp h LEU 23 CO 0.12 0.57 -0.69 -0.09 -0.34 0.00 0.00 178.44 178.02 2qgp h ARG 24 N 0.00 0.28 -2.50 1.25 2.43 -0.71 -3.26 114.38 111.88 2qgp h ARG 24 Ca -0.01 -0.22 -0.74 0.00 -0.81 0.00 0.00 59.98 58.20 2qgp h ARG 24 Cb 1.06 0.04 -0.16 0.00 -0.42 0.00 0.00 29.97 30.49 2qgp h ARG 24 CO 0.07 0.86 2.02 0.54 -1.51 0.00 0.00 179.97 181.95 2qgp n ARG 25 N -3.82 4.60 -3.84 0.20 1.74 -1.07 -4.55 116.66 109.92 2qgp n ARG 25 Ca -0.03 -3.62 -0.12 0.00 -0.77 0.00 0.00 57.85 53.31 2qgp n ARG 25 Cb 0.68 -2.57 -0.11 0.00 -1.02 0.00 0.00 32.46 29.44 2qgp n ARG 25 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2qgp s SER 26 N 0.03 -0.07 0.16 0.55 1.04 -1.23 -4.92 113.70 109.26 2qgp s SER 26 Ca 0.52 0.02 -0.23 0.00 0.48 0.00 0.00 55.95 56.74 2qgp s SER 26 Cb 0.20 0.28 0.05 0.00 0.10 0.00 0.00 66.02 66.65 2qgp s SER 26 CO -0.11 -0.27 1.61 1.56 0.98 0.00 0.00 173.24 177.00 2qgp h GLN 27 N 4.77 -0.25 -0.85 4.02 1.08 -1.91 0.59 115.11 122.57 2qgp h GLN 27 Ca -0.29 0.02 0.20 0.00 -1.45 0.00 0.00 58.65 57.13 2qgp h GLN 27 Cb 1.19 0.06 -0.12 0.00 -0.05 0.00 0.00 27.48 28.56 2qgp h GLN 27 CO 0.40 -0.16 0.31 2.35 -0.95 0.00 0.00 178.83 180.78 2qgp h TRP 28 N -0.26 0.50 0.05 2.96 7.01 -1.96 0.55 115.95 124.81 2qgp h TRP 28 Ca 0.16 0.04 -0.20 0.00 2.11 0.00 0.00 58.89 61.01 2qgp h TRP 28 Cb 0.51 -0.09 0.02 0.00 -2.10 0.00 0.00 29.16 27.50 2qgp h TRP 28 CO -0.48 -0.07 -0.80 2.35 -2.79 0.00 0.00 178.44 176.65 2qgp h TRP 29 N 0.35 0.70 0.00 2.65 2.91 -1.45 -2.33 115.95 118.78 2qgp h TRP 29 Ca 0.51 -0.42 -0.02 0.00 1.13 0.00 0.00 58.89 60.10 2qgp h TRP 29 Cb 0.95 -0.07 -0.00 0.00 -0.51 0.00 0.00 29.16 29.53 2qgp h TRP 29 CO -0.19 1.26 -0.07 0.87 -1.03 0.00 0.00 178.44 179.28 2qgp h LYS 30 N -0.06 0.00 -0.17 2.65 6.56 -0.22 -1.29 116.57 124.04 2qgp h LYS 30 Ca -0.11 0.00 -0.17 0.00 -1.06 0.00 0.00 60.65 59.30 2qgp h LYS 30 Cb 1.52 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 33.19 2qgp h LYS 30 CO 0.15 0.07 -0.56 -0.97 -2.06 0.00 0.00 179.45 176.09 2qgp h ASN 31 N 0.00 0.79 -0.54 0.86 -0.73 0.19 -2.60 115.58 113.56 2qgp h ASN 31 Ca -0.00 -0.60 -0.07 0.00 1.87 0.00 0.00 56.30 57.50 2qgp h ASN 31 Cb 0.22 -0.23 -0.02 0.00 0.27 0.00 0.00 38.32 38.56 2qgp h ASN 31 CO 0.01 1.25 0.06 -0.09 -0.37 0.00 0.00 177.43 178.30 2qgp h ARG 32 N 0.38 0.90 0.00 6.67 2.43 -0.69 -2.76 114.38 121.31 2qgp h ARG 32 Ca -0.02 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 2qgp h ARG 32 Cb 1.19 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 2qgp h ARG 32 CO 0.12 0.89 0.00 -0.84 -1.51 0.00 0.00 179.97 178.63 2qgp h ILE 33 N 0.78 0.00 -0.19 1.20 3.07 -1.47 -2.69 117.51 118.22 2qgp h ILE 33 Ca 0.16 -0.47 -0.07 0.00 1.55 0.00 0.00 64.86 66.02 2qgp h ILE 33 Cb 0.44 1.40 -0.01 0.00 -0.27 0.00 0.00 36.82 38.37 2qgp h ILE 33 CO 0.01 0.00 -0.21 0.00 -1.05 0.00 0.00 178.15 176.90 2qgp h ALA 34 N 2.34 1.30 0.00 0.16 0.00 -1.16 -0.17 119.26 121.73 2qgp h ALA 34 Ca 0.00 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 2qgp h ALA 34 Cb 0.64 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2qgp h ALA 34 CO 0.00 0.47 -0.23 0.00 0.00 0.00 0.00 179.25 179.49 2qgp h ARG 35 N 0.30 0.00 -0.26 0.00 3.08 -1.44 -3.46 114.38 112.60 2qgp h ARG 35 Ca 0.05 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.99 2qgp h ARG 35 Cb 0.55 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.55 2qgp h ARG 35 CO 0.04 0.23 -0.10 0.41 -1.07 0.00 0.00 179.97 179.48 2qgp n GLY 36 N -0.67 0.73 3.73 0.04 0.00 -0.07 -4.89 105.19 104.05 2qgp n GLY 36 Ca -0.02 -0.25 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 2qgp n GLY 36 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qgp s ILE 37 N -1.93 5.20 -0.22 -0.61 -1.09 -1.26 -0.57 121.20 120.72 2qgp s ILE 37 Ca 0.00 0.89 -0.27 0.00 -2.23 0.00 0.00 60.65 59.04 2qgp s ILE 37 Cb 0.00 -3.79 -0.00 0.00 -1.58 0.00 0.00 42.46 37.09 2qgp s ILE 37 CO 0.00 0.35 0.93 0.00 -1.23 0.00 0.00 174.94 174.98 2qgp h HIS 39 N 7.50 0.24 0.00 0.00 2.76 -1.40 0.24 115.15 124.49 2qgp h HIS 39 Ca -0.23 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.95 2qgp h HIS 39 Cb 1.09 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.97 2qgp h HIS 39 CO 0.74 0.06 -0.18 1.88 -1.30 0.00 0.00 177.93 179.13 2qgp h TYR 40 N 0.17 0.00 0.00 5.26 0.05 -1.92 -3.40 116.97 117.13 2qgp h TYR 40 Ca 0.45 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.23 2qgp h TYR 40 Cb 1.47 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.21 2qgp h TYR 40 CO -0.00 0.00 -0.11 0.00 -1.05 0.00 0.00 178.16 177.00 2qgp n GLY 42 N 1.30 0.51 3.91 0.00 0.00 0.83 -5.00 105.19 106.74 2qgp n GLY 42 Ca 0.05 -0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 2qgp n GLY 42 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qgp s GLU 43 N -1.38 1.89 -0.13 1.61 2.12 -1.26 -4.65 118.70 116.89 2qgp s GLU 43 Ca 0.00 -0.04 -0.04 0.00 0.36 0.00 0.00 54.97 55.25 2qgp s GLU 43 Cb 0.00 -2.00 -0.03 0.00 0.26 0.00 0.00 34.13 32.36 2qgp s GLU 43 CO 0.00 -1.59 -0.01 0.42 -0.54 0.00 0.00 175.26 173.54 2qgp s ILE 44 N -3.53 4.19 0.20 -3.70 1.01 -1.26 -1.80 121.20 116.31 2qgp s ILE 44 Ca 0.63 -0.27 0.02 0.00 0.00 0.00 0.00 60.65 61.03 2qgp s ILE 44 Cb -0.10 -2.82 -0.05 0.00 0.01 0.00 0.00 42.46 39.50 2qgp s ILE 44 CO 0.48 0.53 0.00 -0.36 0.00 0.00 0.00 174.94 175.60 2qgp s PHE 45 N -0.09 1.34 0.33 3.97 0.40 0.26 -5.02 117.98 119.17 2qgp s PHE 45 Ca 0.03 -1.00 -0.28 0.00 -0.60 0.00 0.00 56.93 55.09 2qgp s PHE 45 Cb -0.13 -0.76 -0.09 0.00 0.51 0.00 0.00 43.02 42.54 2qgp s PHE 45 CO 0.02 -0.16 1.16 -2.14 0.70 0.00 0.00 175.22 174.80 2qgp s PRO 46 N -3.90 4.39 0.00 0.24 0.02 -1.26 -4.50 135.00 129.99 2qgp s PRO 46 Ca 0.26 1.89 0.00 0.00 0.02 0.00 0.00 61.00 63.17 2qgp s PRO 46 Cb 0.06 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 31.59 2qgp s PRO 46 CO 0.06 -0.04 0.61 -0.35 -0.33 0.00 0.00 177.00 176.95 2qgp n PRO 47 N 0.73 0.00 -0.08 5.54 -0.04 -1.26 -0.62 135.00 139.27 2qgp n PRO 47 Ca 0.01 0.14 -0.06 0.00 -0.04 0.00 0.00 63.50 63.56 2qgp n PRO 47 Cb 0.45 -1.80 -0.16 0.00 -0.04 0.00 0.00 33.50 31.95 2qgp n PRO 47 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2qgp n GLU 48 N -1.11 0.77 0.00 0.54 4.71 -1.26 -4.37 120.64 119.93 2qgp n GLU 48 Ca 0.00 -0.05 0.00 0.00 -0.01 0.00 0.00 57.16 57.10 2qgp n GLU 48 Cb 0.30 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.23 2qgp n GLU 48 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2qgp n GLU 49 N -2.63 0.87 -4.21 3.49 1.02 0.21 -4.78 120.64 114.60 2qgp n GLU 49 Ca -0.26 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.60 2qgp n GLU 49 Cb 1.02 -1.13 -0.08 0.00 -0.02 0.00 0.00 31.44 31.23 2qgp n GLU 49 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2qgp s LEU 50 N -0.70 3.23 0.00 -4.62 1.43 -1.26 -3.79 118.68 112.97 2qgp s LEU 50 Ca 0.00 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 2qgp s LEU 50 Cb 0.00 -1.92 0.00 0.00 0.03 0.00 0.00 46.19 44.30 2qgp s LEU 50 CO 0.00 0.12 0.00 0.41 0.23 0.00 0.00 176.35 177.11 2qgp n THR 51 N 0.12 0.00 0.00 5.49 -1.04 0.19 -4.91 114.28 114.12 2qgp n THR 51 Ca -0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 2qgp n THR 51 Cb 0.54 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.05 2qgp n THR 51 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2qgp n ASP 53 N 0.00 0.00 -4.61 8.00 2.03 0.27 -0.65 116.55 121.58 2qgp n ASP 53 Ca 0.00 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 54.96 2qgp n ASP 53 Cb 0.00 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.30 2qgp n ASP 53 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 2qgp s HIS 54 N -2.00 3.22 0.08 -0.67 3.76 -1.26 -1.04 115.29 117.37 2qgp s HIS 54 Ca 0.00 0.00 -0.33 0.00 -0.15 0.00 0.00 55.06 54.58 2qgp s HIS 54 Cb 0.00 -2.09 -0.17 0.00 1.11 0.00 0.00 32.58 31.44 2qgp s HIS 54 CO 0.00 0.09 1.61 -0.07 -0.85 0.00 0.00 174.74 175.52 2qgp h LEU 55 N 6.84 -0.94 -8.80 0.89 3.38 -1.17 -3.35 115.31 112.15 2qgp h LEU 55 Ca -0.36 0.06 -0.65 0.00 0.09 0.00 0.00 57.88 57.01 2qgp h LEU 55 Cb 1.17 0.28 -0.17 0.00 0.09 0.00 0.00 40.66 42.04 2qgp h LEU 55 CO 0.68 -0.57 -0.29 -0.69 0.09 0.00 0.00 178.44 177.67 2qgp s VAL 56 N -6.01 5.18 0.56 1.22 1.01 -1.26 -5.05 120.40 116.04 2qgp s VAL 56 Ca -0.18 0.18 -0.21 0.00 0.00 0.00 0.00 61.98 61.78 2qgp s VAL 56 Cb 0.04 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 2qgp s VAL 56 CO 0.62 -0.01 1.14 -2.65 0.00 0.00 0.00 175.10 174.20 2qgp n PRO 57 N 5.36 1.28 0.17 2.72 -0.02 -1.26 -4.07 135.00 139.18 2qgp n PRO 57 Ca -0.09 0.48 0.05 0.00 -2.02 0.00 0.00 63.50 61.91 2qgp n PRO 57 Cb 0.50 -2.32 0.49 0.00 -0.02 0.00 0.00 33.50 32.15 2qgp n PRO 57 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2qgp h VAL 58 N 1.01 1.11 0.00 -1.45 2.07 -1.92 0.11 116.25 117.17 2qgp h VAL 58 Ca -0.49 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 66.59 2qgp h VAL 58 Cb 1.34 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 2qgp h VAL 58 CO 0.54 0.14 0.00 0.52 0.02 0.00 0.00 177.57 178.79 2qgp n VAL 59 N -4.39 0.12 -1.36 2.57 0.31 -1.26 -2.61 118.33 111.71 2qgp n VAL 59 Ca -0.01 0.03 0.08 0.00 -0.01 0.00 0.00 64.34 64.43 2qgp n VAL 59 Cb 0.18 -0.61 0.16 0.00 -0.91 0.00 0.00 33.84 32.66 2qgp n VAL 59 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2qgp n ARG 60 N -1.19 1.32 0.00 5.55 5.12 -0.16 -4.83 116.66 122.47 2qgp n ARG 60 Ca 0.15 -2.80 0.00 0.00 -1.93 0.00 0.00 57.85 53.27 2qgp n ARG 60 Cb 0.16 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 30.00 2qgp n ARG 60 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2qgp n GLY 61 N -1.20 1.95 3.64 -0.13 0.00 -1.07 -4.86 105.19 103.51 2qgp n GLY 61 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 2qgp n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qgp n GLY 62 N -2.00 -0.15 3.77 -0.02 0.00 0.21 -4.94 105.19 102.07 2qgp n GLY 62 Ca 0.00 -0.15 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 2qgp n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qgp s LYS 63 N -2.90 2.73 -1.17 1.61 -0.14 -1.26 -4.16 119.74 114.45 2qgp s LYS 63 Ca 0.77 -1.18 -0.14 0.00 -1.36 0.00 0.00 55.97 54.07 2qgp s LYS 63 Cb -0.41 -2.44 0.18 0.00 -1.68 0.00 0.00 37.83 33.48 2qgp s LYS 63 CO 0.45 0.37 1.37 -1.12 -0.76 0.00 0.00 175.35 175.66 2qgp s SER 64 N -3.80 7.05 0.11 2.83 0.01 -1.26 -4.65 113.70 113.99 2qgp s SER 64 Ca 0.33 -2.97 0.02 0.00 1.31 0.00 0.00 55.95 54.65 2qgp s SER 64 Cb -0.07 -2.38 -0.04 0.00 0.21 0.00 0.00 66.02 63.73 2qgp s SER 64 CO 0.24 -0.73 -0.07 0.42 0.41 0.00 0.00 173.24 173.51 2qgp s THR 65 N 1.39 0.77 0.27 1.44 -4.23 -1.26 -4.76 115.64 109.26 2qgp s THR 65 Ca 0.40 -1.96 -0.01 0.00 -1.18 0.00 0.00 61.69 58.95 2qgp s THR 65 Cb -0.04 -1.74 0.26 0.00 1.34 0.00 0.00 72.50 72.32 2qgp s THR 65 CO -0.02 -0.82 1.69 0.03 -0.54 0.00 0.00 174.62 174.96 2qgp h ARG 66 N 2.91 0.33 0.00 3.99 3.08 -1.93 0.15 114.38 122.92 2qgp h ARG 66 Ca -0.36 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 59.61 2qgp h ARG 66 Cb 1.17 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.14 2qgp h ARG 66 CO 0.64 0.22 -0.33 0.78 -1.07 0.00 0.00 179.97 180.22 2qgp h GLY 67 N 0.34 0.00 -0.34 0.04 0.00 -1.96 -3.04 103.07 98.12 2qgp h GLY 67 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.82 2qgp h GLY 67 CO -0.52 0.00 -0.80 -2.01 0.00 0.00 0.00 176.54 173.21 2qgp n ASN 68 N -3.82 1.36 -4.91 0.19 4.05 -0.30 -4.91 115.26 106.93 2qgp n ASN 68 Ca -0.01 -1.17 -0.32 0.00 0.45 0.00 0.00 54.58 53.53 2qgp n ASN 68 Cb 0.41 0.79 -0.04 0.00 1.23 0.00 0.00 39.78 42.16 2qgp n ASN 68 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 2qgp s VAL 69 N -2.81 5.39 -0.17 3.44 1.01 0.37 -0.54 120.40 127.09 2qgp s VAL 69 Ca 0.12 -0.24 -0.28 0.00 0.00 0.00 0.00 61.98 61.58 2qgp s VAL 69 Cb 0.17 -3.59 0.07 0.00 0.00 0.00 0.00 36.38 33.03 2qgp s VAL 69 CO 0.76 0.23 0.70 0.54 0.00 0.00 0.00 175.10 177.32 2qgp s VAL 70 N -1.43 0.00 0.03 2.92 0.11 -0.21 -4.86 120.40 116.96 2qgp s VAL 70 Ca 0.32 -0.00 -0.25 0.00 -2.93 0.00 0.00 61.98 59.12 2qgp s VAL 70 Cb -0.13 -0.99 -0.05 0.00 -1.53 0.00 0.00 36.38 33.68 2qgp s VAL 70 CO 0.23 -0.00 0.76 -2.16 -3.33 0.00 0.00 175.10 170.60 2qgp s PRO 71 N -0.36 4.48 0.07 1.54 0.04 -1.26 -0.57 135.00 138.94 2qgp s PRO 71 Ca -0.05 1.04 0.03 0.00 0.04 0.00 0.00 61.00 62.05 2qgp s PRO 71 Cb -0.03 -3.37 -0.03 0.00 0.04 0.00 0.00 34.50 31.11 2qgp s PRO 71 CO 0.05 0.26 -0.08 0.00 0.04 0.00 0.00 177.00 177.27 2qgp s ALA 72 N 0.05 0.83 0.68 8.56 0.00 0.17 -0.95 121.76 131.11 2qgp s ALA 72 Ca 0.38 -1.03 -0.08 0.00 0.00 0.00 0.00 51.96 51.24 2qgp s ALA 72 Cb -0.20 0.06 0.04 0.00 0.00 0.00 0.00 23.12 23.02 2qgp s ALA 72 CO 0.22 -0.07 1.01 0.00 0.00 0.00 0.00 175.76 176.93 2qgp h LYS 74 N -0.53 -0.42 -0.18 0.00 3.64 -1.96 -0.96 116.57 116.17 2qgp h LYS 74 Ca -0.45 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.00 2qgp h LYS 74 Cb 1.29 0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 33.15 2qgp h LYS 74 CO 0.62 -0.28 -0.12 0.93 -2.27 0.00 0.00 179.45 178.33 2qgp h GLU 75 N -0.44 -0.12 -0.40 1.90 3.07 -1.95 -2.09 114.58 114.57 2qgp h GLU 75 Ca 0.05 0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 58.87 2qgp h GLU 75 Cb 0.57 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.49 2qgp h GLU 75 CO -0.47 -0.08 0.05 0.00 -1.40 0.00 0.00 179.01 177.11 2qgp h ASN 77 N 0.59 -0.18 0.16 0.00 -1.24 -0.61 -2.41 115.58 111.89 2qgp h ASN 77 Ca 0.13 -0.16 -0.01 0.00 0.71 0.00 0.00 56.30 56.97 2qgp h ASN 77 Cb 0.30 0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.40 2qgp h ASN 77 CO 0.01 0.06 -0.08 0.78 -1.29 0.00 0.00 177.43 176.91 2qgp h ASN 78 N -0.42 -0.18 -0.58 1.15 2.35 -1.36 -3.19 115.58 113.35 2qgp h ASN 78 Ca -0.02 -0.30 0.17 0.00 -0.55 0.00 0.00 56.30 55.60 2qgp h ASN 78 Cb 0.33 0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.72 2qgp h ASN 78 CO 0.04 0.23 0.44 0.03 -1.65 0.00 0.00 177.43 176.52 2qgp h ARG 79 N -0.62 0.00 0.00 0.81 3.08 -1.32 0.30 114.38 116.63 2qgp h ARG 79 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2qgp h ARG 79 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 2qgp h ARG 79 CO 0.04 0.00 0.00 -0.22 -1.07 0.00 0.00 179.97 178.72 2qgp h LYS 80 N 0.00 0.00 0.01 0.04 3.64 -1.41 -2.10 116.57 116.75 2qgp h LYS 80 Ca 0.28 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 59.29 2qgp h LYS 80 Cb 1.16 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.92 2qgp h LYS 80 CO -0.00 0.00 -2.29 1.63 -2.27 0.00 0.00 179.45 176.52 2qgp n LYS 81 N -2.52 0.68 0.00 1.90 5.02 0.10 -4.58 118.16 118.76 2qgp n LYS 81 Ca 0.02 0.11 0.10 0.00 -2.02 0.00 0.00 58.31 56.52 2qgp n LYS 81 Cb 0.29 -1.58 -0.09 0.00 -0.02 0.00 0.00 35.03 33.64 2qgp n LYS 81 CO 0.00 0.00 0.00 2.48 -0.52 0.00 0.00 177.40 179.36 2qgp n TYR 82 N -3.02 0.00 -3.50 2.13 0.18 -0.99 -4.93 117.16 107.04 2qgp n TYR 82 Ca -0.35 0.00 -0.33 0.00 1.88 0.00 0.00 57.90 59.11 2qgp n TYR 82 Cb 1.08 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.99 2qgp n TYR 82 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 2qgp s LEU 83 N -2.81 4.24 0.49 -3.48 1.43 -0.79 -5.07 118.68 112.69 2qgp s LEU 83 Ca 0.10 0.83 -0.10 0.00 -1.03 0.00 0.00 54.13 53.93 2qgp s LEU 83 Cb 0.16 -3.44 -0.05 0.00 0.03 0.00 0.00 46.19 42.89 2qgp s LEU 83 CO 0.75 0.02 0.87 -0.76 0.23 0.00 0.00 176.35 177.45 2qgp s LEU 84 N -2.55 3.60 0.35 1.79 2.01 -1.26 -4.78 118.68 117.84 2qgp s LEU 84 Ca 0.43 1.21 0.21 0.00 0.01 0.00 0.00 54.13 55.99 2qgp s LEU 84 Cb -0.12 -4.16 1.26 0.00 0.01 0.00 0.00 46.19 43.18 2qgp s LEU 84 CO 0.21 -0.59 1.44 -2.65 1.01 0.00 0.00 176.35 175.78 2qgp n PRO 85 N -1.94 -0.05 0.10 1.29 -0.02 -1.26 -0.14 135.00 132.98 2qgp n PRO 85 Ca 0.03 1.24 -0.00 0.00 -2.02 0.00 0.00 63.50 62.75 2qgp n PRO 85 Cb 0.54 -2.26 -0.03 0.00 -0.02 0.00 0.00 33.50 31.73 2qgp n PRO 85 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 2qgp h VAL 86 N 0.00 0.98 0.00 -1.45 -1.51 -2.00 -2.21 116.25 110.06 2qgp h VAL 86 Ca 0.78 -2.44 -0.11 0.00 -1.23 0.00 0.00 66.70 63.71 2qgp h VAL 86 Cb 2.17 2.45 -0.02 0.00 -2.13 0.00 0.00 31.29 33.76 2qgp h VAL 86 CO -0.64 0.56 -0.51 -0.33 -1.23 0.00 0.00 177.57 175.41 2qgp h GLU 87 N 0.00 0.00 0.32 5.19 5.08 -0.89 -2.92 114.58 121.36 2qgp h GLU 87 Ca -0.04 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2qgp h GLU 87 Cb 1.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.76 2qgp h GLU 87 CO 0.08 0.51 -0.15 2.35 -1.00 0.00 0.00 179.01 180.79 2qgp h TRP 88 N 0.00 -0.40 -0.59 4.33 2.91 -0.97 -1.51 115.95 119.72 2qgp h TRP 88 Ca -0.01 -0.01 0.12 0.00 1.13 0.00 0.00 58.89 60.12 2qgp h TRP 88 Cb 1.29 0.13 -0.11 0.00 -0.51 0.00 0.00 29.16 29.95 2qgp h TRP 88 CO 0.00 -0.10 -0.15 0.93 -1.03 0.00 0.00 178.44 178.09 2qgp h GLU 89 N -1.02 0.00 -0.51 2.65 3.07 -1.48 0.52 114.58 117.81 2qgp h GLU 89 Ca -0.04 -0.00 0.02 0.00 -0.50 0.00 0.00 59.36 58.84 2qgp h GLU 89 Cb 0.47 -0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.35 2qgp h GLU 89 CO 0.07 0.00 0.34 0.93 -1.40 0.00 0.00 179.01 178.95 2qgp h GLU 90 N 0.00 0.59 -0.18 2.33 5.08 -1.56 0.56 114.58 121.40 2qgp h GLU 90 Ca 0.29 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.59 2qgp h GLU 90 Cb 0.43 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2qgp h GLU 90 CO -0.61 0.39 0.02 -0.92 -1.00 0.00 0.00 179.01 176.89 2qgp h TYR 91 N 0.61 0.33 0.45 4.33 3.20 0.10 -2.80 116.97 123.18 2qgp h TYR 91 Ca 0.20 -0.05 -0.02 0.00 3.14 0.00 0.00 58.73 62.00 2qgp h TYR 91 Cb 0.05 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.24 2qgp h TYR 91 CO -0.00 0.48 -0.21 -0.07 -1.64 0.00 0.00 178.16 176.71 2qgp h LEU 92 N 0.08 -0.51 -0.26 2.82 3.38 0.05 -3.12 115.31 117.76 2qgp h LEU 92 Ca 0.05 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2qgp h LEU 92 Cb 0.34 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2qgp h LEU 92 CO 0.01 -0.28 0.00 0.47 0.09 0.00 0.00 178.44 178.73 2qgp n ASP 93 N -4.07 0.00 -0.61 -0.43 9.92 0.19 -1.33 116.55 120.22 2qgp n ASP 93 Ca -0.07 0.00 0.03 0.00 -0.53 0.00 0.00 54.79 54.21 2qgp n ASP 93 Cb 0.24 0.00 0.04 0.00 -0.64 0.00 0.00 41.12 40.75 2qgp n ASP 93 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2qgp n SER 94 N -0.22 0.67 0.00 -2.24 3.41 -1.06 -4.84 113.62 109.35 2qgp n SER 94 Ca 0.00 -2.29 0.13 0.00 -0.26 0.00 0.00 58.87 56.45 2qgp n SER 94 Cb 0.00 -0.27 0.72 0.00 -0.26 0.00 0.00 64.21 64.39 2qgp n SER 94 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2qgp n LEU 95 N -0.22 0.00 0.00 1.04 4.77 -0.44 -4.90 117.00 117.25 2qgp n LEU 95 Ca 0.05 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 2qgp n LEU 95 Cb 0.77 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 2qgp n LEU 95 CO -0.01 -0.02 0.00 -0.62 -1.33 0.00 0.00 177.39 175.41 2qgp n GLU 96 N -1.12 -0.29 -2.17 3.23 -0.58 -1.26 -3.41 120.64 115.04 2qgp n GLU 96 Ca 0.16 0.07 -0.09 0.00 -0.42 0.00 0.00 57.16 56.88 2qgp n GLU 96 Cb 0.14 -3.97 -0.01 0.00 -0.57 0.00 0.00 31.44 27.02 2qgp n GLU 96 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2qgp n SER 97 N -0.15 -3.02 0.00 1.62 7.64 -1.26 -5.28 113.62 113.17 2qgp n SER 97 Ca 0.00 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.14 2qgp n SER 97 Cb 0.07 -2.68 0.00 0.00 -1.01 0.00 0.00 64.21 60.59 2qgp n SER 97 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24