#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qke s LYS 6 N 0.00 1.09 0.00 2.89 -0.14 -1.26 -5.03 119.74 117.29 2qke s LYS 6 Ca 0.00 -1.42 0.00 0.00 -1.36 0.00 0.00 55.97 53.19 2qke s LYS 6 Cb 0.00 -0.77 0.00 0.00 -1.68 0.00 0.00 37.83 35.38 2qke s LYS 6 CO 0.00 0.12 0.00 0.25 -0.76 0.00 0.00 175.35 174.96 2qke n THR 7 N -0.03 0.00 -3.78 2.17 -2.24 -1.26 -4.89 114.28 104.24 2qke n THR 7 Ca -0.11 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.31 2qke n THR 7 Cb 0.60 -0.12 -0.11 0.00 -2.10 0.00 0.00 70.33 68.59 2qke n THR 7 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2qke s TYR 8 N 1.23 3.54 0.07 4.78 4.12 -0.50 -2.69 117.35 127.89 2qke s TYR 8 Ca 0.00 -2.55 -0.31 0.00 0.02 0.00 0.00 57.07 54.23 2qke s TYR 8 Cb 0.00 -3.19 -0.06 0.00 -1.52 0.00 0.00 41.96 37.19 2qke s TYR 8 CO 0.00 -0.93 1.22 0.08 0.02 0.00 0.00 175.55 175.94 2qke s VAL 9 N 0.79 3.94 -0.44 0.71 1.01 -1.03 -2.51 120.40 122.88 2qke s VAL 9 Ca 0.11 1.39 -0.06 0.00 0.00 0.00 0.00 61.98 63.42 2qke s VAL 9 Cb -0.22 -3.89 0.11 0.00 0.00 0.00 0.00 36.38 32.38 2qke s VAL 9 CO -0.04 0.11 0.27 -0.22 0.00 0.00 0.00 175.10 175.22 2qke s LEU 10 N 1.06 5.42 -0.13 3.92 2.96 -0.11 -2.15 118.68 129.64 2qke s LEU 10 Ca 0.59 -1.92 -0.20 0.00 -0.22 0.00 0.00 54.13 52.39 2qke s LEU 10 Cb -0.30 -1.92 -0.04 0.00 0.50 0.00 0.00 46.19 44.43 2qke s LEU 10 CO 0.29 -0.60 0.56 -0.54 -1.32 0.00 0.00 176.35 174.74 2qke s LYS 11 N 1.27 4.32 -0.35 1.98 1.02 -0.86 -2.46 119.74 124.66 2qke s LYS 11 Ca 0.06 0.58 0.02 0.00 0.02 0.00 0.00 55.97 56.65 2qke s LYS 11 Cb -0.24 -3.48 0.10 0.00 -0.52 0.00 0.00 37.83 33.69 2qke s LYS 11 CO -0.02 0.03 0.08 -0.51 -0.92 0.00 0.00 175.35 174.00 2qke s LEU 12 N 1.01 4.77 -0.56 3.17 1.02 -0.67 -2.14 118.68 125.29 2qke s LEU 12 Ca 0.29 -2.03 -0.28 0.00 0.02 0.00 0.00 54.13 52.13 2qke s LEU 12 Cb -0.16 -1.68 0.02 0.00 0.02 0.00 0.00 46.19 44.39 2qke s LEU 12 CO 0.12 -0.40 1.32 -0.31 0.02 0.00 0.00 176.35 177.09 2qke s TYR 13 N 0.99 2.44 0.23 0.29 1.51 -0.81 -1.85 117.35 120.15 2qke s TYR 13 Ca 0.08 0.47 0.06 0.00 -1.01 0.00 0.00 57.07 56.67 2qke s TYR 13 Cb -0.20 -4.44 -0.03 0.00 -0.11 0.00 0.00 41.96 37.17 2qke s TYR 13 CO -0.06 -1.80 0.25 0.14 -1.11 0.00 0.00 175.55 172.96 2qke s VAL 14 N 5.52 4.79 -0.37 0.71 -7.23 0.07 0.13 120.40 124.02 2qke s VAL 14 Ca 0.49 -1.19 0.01 0.00 -1.81 0.00 0.00 61.98 59.48 2qke s VAL 14 Cb -0.10 -3.57 0.12 0.00 0.56 0.00 0.00 36.38 33.39 2qke s VAL 14 CO 0.26 -0.31 0.16 0.00 -0.31 0.00 0.00 175.10 174.90 2qke s ALA 15 N -2.02 1.95 0.00 1.32 0.00 0.79 -0.66 121.76 123.14 2qke s ALA 15 Ca 0.33 -2.18 0.00 0.00 0.00 0.00 0.00 51.96 50.12 2qke s ALA 15 Cb -0.09 -1.78 0.00 0.00 0.00 0.00 0.00 23.12 21.26 2qke s ALA 15 CO 0.26 -1.85 0.00 0.41 0.00 0.00 0.00 175.76 174.58 2qke n GLY 16 N 4.20 -1.05 3.31 0.00 0.00 -1.26 -4.73 105.19 105.66 2qke n GLY 16 Ca 0.03 -1.64 -0.09 0.00 0.00 0.00 0.00 46.02 44.32 2qke n GLY 16 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qke s ASN 17 N -3.57 -0.01 0.24 1.61 0.01 -1.26 -4.87 114.94 107.09 2qke s ASN 17 Ca 0.00 -0.67 0.02 0.00 -0.71 0.00 0.00 52.86 51.50 2qke s ASN 17 Cb 0.00 0.43 -0.05 0.00 0.41 0.00 0.00 41.25 42.04 2qke s ASN 17 CO 0.00 -0.86 0.04 0.42 -1.51 0.00 0.00 177.10 175.20 2qke s THR 18 N -3.90 0.79 0.12 1.60 -4.23 -1.26 -5.01 115.64 103.76 2qke s THR 18 Ca 0.10 -2.01 -0.25 0.00 -1.18 0.00 0.00 61.69 58.36 2qke s THR 18 Cb 0.03 -2.46 -0.05 0.00 1.34 0.00 0.00 72.50 71.36 2qke s THR 18 CO -0.06 -0.19 1.65 1.55 -0.54 0.00 0.00 174.62 177.03 2qke h PRO 19 N 2.44 -0.32 0.10 3.99 0.13 -2.02 -0.15 132.00 136.17 2qke h PRO 19 Ca -0.38 0.02 0.02 0.00 -0.87 0.00 0.00 66.00 64.79 2qke h PRO 19 Cb 1.23 0.07 -0.04 0.00 0.13 0.00 0.00 31.00 32.39 2qke h PRO 19 CO 0.63 -0.21 -0.35 -0.91 -0.23 0.00 0.00 178.00 176.93 2qke h ASN 20 N -0.33 -1.01 -0.53 1.44 2.35 -1.99 -2.32 115.58 113.19 2qke h ASN 20 Ca 0.07 0.12 0.08 0.00 -0.55 0.00 0.00 56.30 56.01 2qke h ASN 20 Cb 0.42 0.39 -0.10 0.00 0.05 0.00 0.00 38.32 39.08 2qke h ASN 20 CO -0.21 -0.43 -0.44 -1.28 -1.65 0.00 0.00 177.43 173.42 2qke h SER 21 N -0.56 -1.51 -0.89 5.81 0.87 -1.90 0.12 113.55 115.49 2qke h SER 21 Ca 0.03 0.24 0.24 0.00 -1.23 0.00 0.00 61.79 61.07 2qke h SER 21 Cb 0.60 0.68 -0.14 0.00 -0.44 0.00 0.00 62.40 63.10 2qke h SER 21 CO -0.22 -0.35 0.29 0.58 -0.53 0.00 0.00 176.83 176.61 2qke h VAL 22 N -0.26 0.35 0.02 2.23 2.07 -0.54 0.13 116.25 120.25 2qke h VAL 22 Ca 0.16 -0.09 -0.21 0.00 0.82 0.00 0.00 66.70 67.38 2qke h VAL 22 Cb 0.57 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 2qke h VAL 22 CO -0.66 0.05 -0.95 0.03 0.02 0.00 0.00 177.57 176.06 2qke h ARG 23 N 0.26 0.23 -0.32 1.57 3.08 -0.40 -0.98 114.38 117.82 2qke h ARG 23 Ca 0.56 -0.28 -0.14 0.00 0.07 0.00 0.00 59.98 60.20 2qke h ARG 23 Cb 1.13 0.09 -0.00 0.00 0.08 0.00 0.00 29.97 31.26 2qke h ARG 23 CO -0.62 1.02 -0.34 0.00 -1.07 0.00 0.00 179.97 178.96 2qke h ALA 24 N 0.88 0.48 -0.29 0.04 0.00 0.54 0.31 119.26 121.21 2qke h ALA 24 Ca -0.06 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 2qke h ALA 24 Cb 1.60 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 2qke h ALA 24 CO 0.15 0.54 0.01 -0.07 0.00 0.00 0.00 179.25 179.88 2qke h LEU 25 N 0.57 0.50 -0.40 0.00 3.38 -0.86 -1.14 115.31 117.36 2qke h LEU 25 Ca 0.05 -0.30 0.07 0.00 0.09 0.00 0.00 57.88 57.79 2qke h LEU 25 Cb 0.92 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.48 2qke h LEU 25 CO 0.08 0.67 0.06 0.11 0.09 0.00 0.00 178.44 179.46 2qke h LYS 26 N 0.31 0.18 -0.53 1.13 1.57 -0.99 -2.09 116.57 116.14 2qke h LYS 26 Ca 0.08 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.89 2qke h LYS 26 Cb 0.41 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.64 2qke h LYS 26 CO 0.01 0.12 0.29 1.15 -0.57 0.00 0.00 179.45 180.45 2qke h THR 27 N 0.18 1.00 -0.84 -0.16 2.02 -0.09 -2.19 112.91 112.83 2qke h THR 27 Ca 0.20 -0.20 0.05 0.00 0.77 0.00 0.00 66.41 67.23 2qke h THR 27 Cb 0.25 0.38 -0.05 0.00 -1.74 0.00 0.00 68.15 66.98 2qke h THR 27 CO -0.28 0.11 0.55 0.25 0.37 0.00 0.00 175.52 176.52 2qke h LEU 28 N 0.58 0.86 -1.67 2.58 5.85 -0.60 0.76 115.31 123.66 2qke h LEU 28 Ca 0.23 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.91 2qke h LEU 28 Cb 0.09 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 2qke h LEU 28 CO -0.13 0.57 -0.11 -1.13 -0.34 0.00 0.00 178.44 177.31 2qke h ASN 29 N 0.99 0.07 0.16 1.25 -0.00 -0.75 -2.17 115.58 115.12 2qke h ASN 29 Ca 0.35 -0.01 -0.21 0.00 -0.00 0.00 0.00 56.30 56.42 2qke h ASN 29 Cb 0.12 -0.02 0.02 0.00 -0.00 0.00 0.00 38.32 38.44 2qke h ASN 29 CO -0.11 0.19 -0.94 0.78 -0.00 0.00 0.00 177.43 177.35 2qke h ASN 30 N 0.07 0.52 -0.83 1.15 2.35 -0.89 -3.12 115.58 114.84 2qke h ASN 30 Ca 0.02 -0.95 0.14 0.00 -0.55 0.00 0.00 56.30 54.96 2qke h ASN 30 Cb 0.24 -0.17 -0.06 0.00 0.05 0.00 0.00 38.32 38.38 2qke h ASN 30 CO 0.01 1.45 0.54 0.40 -1.65 0.00 0.00 177.43 178.19 2qke h ILE 31 N -0.29 0.84 0.00 2.81 1.08 -0.61 -3.12 117.51 118.21 2qke h ILE 31 Ca -0.17 -0.21 0.00 0.00 -0.39 0.00 0.00 64.86 64.10 2qke h ILE 31 Cb 1.73 0.18 0.00 0.00 -3.07 0.00 0.00 36.82 35.66 2qke h ILE 31 CO 0.17 0.11 0.00 0.18 -0.69 0.00 0.00 178.15 177.92 2qke n LEU 32 N -4.52 1.62 -1.38 1.44 4.77 -0.85 -2.09 117.00 116.00 2qke n LEU 32 Ca 0.16 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 2qke n LEU 32 Cb 0.46 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 2qke n LEU 32 CO 0.31 -0.04 0.01 -0.62 -1.33 0.00 0.00 177.39 175.72 2qke n GLU 33 N -0.63 0.02 0.13 3.23 1.02 -1.18 0.10 120.64 123.33 2qke n GLU 33 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2qke n GLU 33 Cb 0.00 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 29.93 2qke n GLU 33 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2qke n LYS 34 N 1.37 0.00 0.01 3.49 4.81 -1.18 -4.62 118.16 122.04 2qke n LYS 34 Ca 0.00 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.55 2qke n LYS 34 Cb 0.01 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.03 2qke n LYS 34 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2qke n GLU 35 N -3.34 0.13 -0.76 1.64 1.02 -0.78 -4.24 120.64 114.31 2qke n GLU 35 Ca 0.00 -0.02 0.02 0.00 -0.02 0.00 0.00 57.16 57.14 2qke n GLU 35 Cb 0.00 -1.52 0.01 0.00 -0.02 0.00 0.00 31.44 29.91 2qke n GLU 35 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2qke n PHE 36 N -1.68 0.00 -1.56 -0.32 3.01 0.29 -5.02 117.46 112.17 2qke n PHE 36 Ca 0.03 -0.20 -0.50 0.00 1.01 0.00 0.00 57.45 57.79 2qke n PHE 36 Cb 0.38 -0.08 -0.05 0.00 -0.01 0.00 0.00 39.48 39.72 2qke n PHE 36 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 2qke n LYS 37 N 0.07 0.98 0.00 -1.08 2.85 0.55 0.14 118.16 121.67 2qke n LYS 37 Ca 0.03 0.35 0.00 0.00 -1.05 0.00 0.00 58.31 57.64 2qke n LYS 37 Cb 0.82 -1.85 0.00 0.00 -0.65 0.00 0.00 35.03 33.36 2qke n LYS 37 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2qke n GLY 38 N 2.05 1.89 0.20 2.58 0.00 -1.26 -4.75 105.19 105.90 2qke n GLY 38 Ca 0.16 -0.09 -0.07 0.00 0.00 0.00 0.00 46.02 46.02 2qke n GLY 38 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2qke h VAL 39 N 0.00 0.00 -3.37 1.61 2.07 -0.67 -3.41 116.25 112.47 2qke h VAL 39 Ca 0.00 -0.55 -0.66 0.00 0.82 0.00 0.00 66.70 66.31 2qke h VAL 39 Cb 0.00 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.64 2qke h VAL 39 CO 0.00 0.00 -0.66 -0.31 0.02 0.00 0.00 177.57 176.62 2qke s TYR 40 N -2.98 3.02 -0.14 1.57 1.51 -0.80 -1.41 117.35 118.11 2qke s TYR 40 Ca -0.06 0.02 -0.01 0.00 -1.01 0.00 0.00 57.07 56.00 2qke s TYR 40 Cb 0.01 -1.60 0.04 0.00 -0.11 0.00 0.00 41.96 40.30 2qke s TYR 40 CO 0.19 0.46 -0.02 0.00 -1.11 0.00 0.00 175.55 175.08 2qke s ALA 41 N -1.20 1.15 0.87 3.71 0.00 -1.05 -4.54 121.76 120.70 2qke s ALA 41 Ca 0.23 -0.59 -0.12 0.00 0.00 0.00 0.00 51.96 51.48 2qke s ALA 41 Cb -0.12 -1.02 0.11 0.00 0.00 0.00 0.00 23.12 22.10 2qke s ALA 41 CO 0.14 -0.76 1.10 -1.17 0.00 0.00 0.00 175.76 175.07 2qke s LEU 42 N 1.78 2.33 -0.31 0.00 2.96 -1.26 -0.94 118.68 123.24 2qke s LEU 42 Ca 0.02 1.35 -0.07 0.00 -0.22 0.00 0.00 54.13 55.21 2qke s LEU 42 Cb -0.15 -3.83 0.19 0.00 0.50 0.00 0.00 46.19 42.91 2qke s LEU 42 CO -0.07 -2.41 0.96 -0.75 -1.32 0.00 0.00 176.35 172.76 2qke s LYS 43 N -5.05 0.25 -0.06 1.98 2.20 -1.03 -4.76 119.74 113.27 2qke s LYS 43 Ca 0.63 0.14 -0.23 0.00 -0.36 0.00 0.00 55.97 56.14 2qke s LYS 43 Cb -0.16 0.08 -0.04 0.00 -1.51 0.00 0.00 37.83 36.20 2qke s LYS 43 CO 0.56 -0.43 0.70 0.08 -0.36 0.00 0.00 175.35 175.90 2qke s VAL 44 N 2.69 5.02 -0.26 4.02 1.01 -1.26 -1.66 120.40 129.96 2qke s VAL 44 Ca 0.22 1.46 0.03 0.00 0.00 0.00 0.00 61.98 63.68 2qke s VAL 44 Cb -0.02 -4.04 0.06 0.00 0.00 0.00 0.00 36.38 32.37 2qke s VAL 44 CO -0.21 0.26 -0.09 -0.63 0.00 0.00 0.00 175.10 174.43 2qke s ILE 45 N 0.72 2.04 -0.63 2.22 1.09 -0.77 -4.93 121.20 120.93 2qke s ILE 45 Ca 0.38 -1.57 -0.23 0.00 -1.10 0.00 0.00 60.65 58.12 2qke s ILE 45 Cb -0.18 -2.19 0.06 0.00 -1.06 0.00 0.00 42.46 39.09 2qke s ILE 45 CO 0.18 -0.06 0.96 -0.62 -0.10 0.00 0.00 174.94 175.30 2qke s ASP 46 N 1.16 6.22 0.39 3.58 3.68 -1.26 -0.75 116.67 129.68 2qke s ASP 46 Ca -0.08 -0.79 0.27 0.00 2.13 0.00 0.00 52.55 54.08 2qke s ASP 46 Cb -0.20 -2.42 1.43 0.00 -1.45 0.00 0.00 42.92 40.27 2qke s ASP 46 CO -0.05 -1.38 1.82 0.58 0.13 0.00 0.00 175.17 176.26 2qke h VAL 47 N 5.98 0.00 -0.34 1.11 2.07 -1.14 -1.05 116.25 122.89 2qke h VAL 47 Ca -0.28 -0.03 -0.13 0.00 0.82 0.00 0.00 66.70 67.08 2qke h VAL 47 Cb 1.07 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 2qke h VAL 47 CO 1.15 0.00 -0.33 0.25 0.02 0.00 0.00 177.57 178.67 2qke h LEU 48 N 0.00 0.77 0.09 2.57 5.85 -1.90 -2.88 115.31 119.81 2qke h LEU 48 Ca 0.00 -0.32 -0.00 0.00 0.84 0.00 0.00 57.88 58.40 2qke h LEU 48 Cb 0.04 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.85 2qke h LEU 48 CO 0.00 1.04 -0.04 0.11 -0.34 0.00 0.00 178.44 179.20 2qke h LYS 49 N 0.62 -0.12 -3.31 1.25 1.57 -1.58 -3.42 116.57 111.59 2qke h LYS 49 Ca 0.07 0.01 -0.68 0.00 -1.87 0.00 0.00 60.65 58.17 2qke h LYS 49 Cb 0.86 0.03 -0.37 0.00 0.08 0.00 0.00 32.23 32.82 2qke h LYS 49 CO 0.07 -0.08 -0.25 1.21 -0.57 0.00 0.00 179.45 179.84 2qke s ASN 50 N -5.18 5.59 0.06 0.86 2.47 -1.00 -4.97 114.94 112.76 2qke s ASN 50 Ca -0.02 -3.60 -0.25 0.00 0.42 0.00 0.00 52.86 49.42 2qke s ASN 50 Cb 0.00 -1.84 -0.12 0.00 -1.45 0.00 0.00 41.25 37.85 2qke s ASN 50 CO 0.05 -0.19 1.38 -0.65 -3.72 0.00 0.00 177.10 173.97 2qke h PRO 51 N 6.06 -0.66 -6.00 0.43 0.11 -1.77 -3.42 132.00 126.74 2qke h PRO 51 Ca 0.12 0.05 -0.72 0.00 0.11 0.00 0.00 66.00 65.56 2qke h PRO 51 Cb 0.82 0.15 0.08 0.00 0.11 0.00 0.00 31.00 32.17 2qke h PRO 51 CO 0.80 -0.44 -0.27 0.94 -0.21 0.00 0.00 178.00 178.82 2qke n GLN 52 N -4.51 0.02 -0.99 1.05 -0.06 -1.26 -4.98 117.38 106.64 2qke n GLN 52 Ca -0.08 0.01 -0.04 0.00 -2.00 0.00 0.00 57.00 54.88 2qke n GLN 52 Cb 0.32 -1.23 0.02 0.00 -4.06 0.00 0.00 30.24 25.29 2qke n GLN 52 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 2qke n LEU 53 N 1.78 0.00 0.00 1.69 4.77 -1.26 -5.13 117.00 118.85 2qke n LEU 53 Ca 0.19 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 2qke n LEU 53 Cb 0.18 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2qke n LEU 53 CO 0.58 -0.58 0.00 0.00 -1.33 0.00 0.00 177.39 176.06 2qke n ALA 54 N -2.98 0.00 -0.14 -1.18 0.00 -1.26 -5.00 120.51 109.95 2qke n ALA 54 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2qke n ALA 54 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 2qke n ALA 54 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2qke n GLU 55 N 0.00 0.21 0.00 0.00 2.13 -1.26 -4.66 120.64 117.06 2qke n GLU 55 Ca 0.00 -0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2qke n GLU 55 Cb 0.00 -0.09 0.00 0.00 0.27 0.00 0.00 31.44 31.62 2qke n GLU 55 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2qke n GLU 56 N -0.03 -0.28 -3.51 5.31 4.71 -1.26 -5.05 120.64 120.53 2qke n GLU 56 Ca 0.00 -0.44 -0.37 0.00 -0.01 0.00 0.00 57.16 56.34 2qke n GLU 56 Cb 0.04 -0.83 -0.06 0.00 -1.01 0.00 0.00 31.44 29.57 2qke n GLU 56 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2qke s ASP 57 N -0.09 6.58 0.04 1.62 1.01 -1.26 -5.07 116.67 119.50 2qke s ASP 57 Ca 0.00 0.69 -0.09 0.00 0.71 0.00 0.00 52.55 53.86 2qke s ASP 57 Cb 0.00 -2.21 0.00 0.00 1.01 0.00 0.00 42.92 41.72 2qke s ASP 57 CO 0.00 0.17 0.18 -1.59 0.21 0.00 0.00 175.17 174.14 2qke s LYS 58 N -0.04 0.69 -0.13 8.23 -2.85 -1.26 -4.54 119.74 119.84 2qke s LYS 58 Ca 0.20 -0.67 0.00 0.00 -1.00 0.00 0.00 55.97 54.50 2qke s LYS 58 Cb -0.14 0.28 0.02 0.00 -2.06 0.00 0.00 37.83 35.93 2qke s LYS 58 CO 0.08 -0.20 -0.11 0.42 0.10 0.00 0.00 175.35 175.64 2qke s ILE 59 N -2.65 1.31 0.40 3.79 1.01 -1.26 -4.63 121.20 119.17 2qke s ILE 59 Ca -0.04 -0.47 0.08 0.00 0.00 0.00 0.00 60.65 60.21 2qke s ILE 59 Cb -0.01 -1.27 -0.01 0.00 0.01 0.00 0.00 42.46 41.18 2qke s ILE 59 CO -0.04 0.42 0.42 -0.76 0.00 0.00 0.00 174.94 174.97 2qke s LEU 60 N 1.57 3.54 0.35 2.97 1.43 0.97 -4.87 118.68 124.64 2qke s LEU 60 Ca 0.05 -0.58 -0.27 0.00 -1.03 0.00 0.00 54.13 52.30 2qke s LEU 60 Cb -0.13 -2.29 -0.09 0.00 0.03 0.00 0.00 46.19 43.71 2qke s LEU 60 CO -0.09 -0.62 1.15 0.00 0.23 0.00 0.00 176.35 177.02 2qke s ALA 61 N -2.39 3.27 0.22 4.21 0.00 -1.26 -0.80 121.76 125.02 2qke s ALA 61 Ca 0.49 0.95 -0.07 0.00 0.00 0.00 0.00 51.96 53.33 2qke s ALA 61 Cb -0.06 -3.36 0.34 0.00 0.00 0.00 0.00 23.12 20.04 2qke s ALA 61 CO 0.29 -0.39 1.76 1.15 0.00 0.00 0.00 175.76 178.57 2qke h THR 62 N 2.65 0.79 0.00 0.00 2.02 -1.90 -2.70 112.91 113.77 2qke h THR 62 Ca -0.48 -0.18 -0.05 0.00 0.77 0.00 0.00 66.41 66.48 2qke h THR 62 Cb 1.22 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 2qke h THR 62 CO 0.64 0.09 -0.22 1.55 0.37 0.00 0.00 175.52 177.96 2qke h PRO 63 N 0.52 0.00 0.00 6.66 0.13 -1.98 0.38 132.00 137.71 2qke h PRO 63 Ca 0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.48 2qke h PRO 63 Cb 0.42 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.55 2qke h PRO 63 CO -0.30 0.22 0.00 0.25 -0.23 0.00 0.00 178.00 177.93 2qke n THR 64 N -3.97 0.00 0.00 1.56 -2.24 -1.02 -3.39 114.28 105.22 2qke n THR 64 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2qke n THR 64 Cb 0.30 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 2qke n THR 64 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2qke n LEU 65 N -0.77 0.34 0.06 3.22 4.32 -1.09 -4.83 117.00 118.26 2qke n LEU 65 Ca 0.12 0.00 0.04 0.00 -0.02 0.00 0.00 56.01 56.15 2qke n LEU 65 Cb 0.06 0.00 0.45 0.00 -1.62 0.00 0.00 43.42 42.31 2qke n LEU 65 CO 0.09 0.06 1.09 0.00 -1.22 0.00 0.00 177.39 177.41 2qke h ALA 66 N 0.00 1.71 -0.92 -1.18 0.00 -1.04 -2.80 119.26 115.03 2qke h ALA 66 Ca 0.00 -0.06 0.22 0.00 0.00 0.00 0.00 54.91 55.07 2qke h ALA 66 Cb 0.15 -0.12 -0.12 0.00 0.00 0.00 0.00 17.79 17.70 2qke h ALA 66 CO 0.00 0.24 0.45 0.87 0.00 0.00 0.00 179.25 180.82 2qke h LYS 67 N 0.41 0.45 -1.51 0.00 1.57 -1.78 -0.41 116.57 115.30 2qke h LYS 67 Ca 0.11 -0.03 -0.51 0.00 -1.87 0.00 0.00 60.65 58.35 2qke h LYS 67 Cb 0.03 -0.10 -0.20 0.00 0.08 0.00 0.00 32.23 32.04 2qke h LYS 67 CO -0.02 0.30 0.62 1.33 -0.57 0.00 0.00 179.45 181.11 2qke n VAL 68 N -4.99 3.23 -4.30 0.50 0.24 -1.06 -4.92 118.33 107.04 2qke n VAL 68 Ca 0.23 -2.57 -0.18 0.00 -2.04 0.00 0.00 64.34 59.78 2qke n VAL 68 Cb 0.67 -1.32 -0.11 0.00 -1.47 0.00 0.00 33.84 31.61 2qke n VAL 68 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2qke s LEU 69 N -2.72 2.49 0.01 1.34 1.43 -0.17 -5.10 118.68 115.96 2qke s LEU 69 Ca 0.49 -0.93 -0.35 0.00 -1.03 0.00 0.00 54.13 52.30 2qke s LEU 69 Cb 0.37 -0.60 -0.14 0.00 0.03 0.00 0.00 46.19 45.85 2qke s LEU 69 CO -0.09 -0.17 1.64 -2.65 0.23 0.00 0.00 176.35 175.31 2qke n PRO 70 N 0.02 1.81 -0.32 1.29 -0.02 -1.26 -4.69 135.00 131.84 2qke n PRO 70 Ca -0.11 0.66 0.29 0.00 -2.02 0.00 0.00 63.50 62.32 2qke n PRO 70 Cb 0.59 -2.41 0.54 0.00 -0.02 0.00 0.00 33.50 32.20 2qke n PRO 70 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2qke n PRO 71 N 4.48 -0.06 -0.01 0.52 -0.02 -1.26 0.41 135.00 139.06 2qke n PRO 71 Ca 0.20 1.36 -0.09 0.00 -2.02 0.00 0.00 63.50 62.96 2qke n PRO 71 Cb 0.25 -2.41 0.07 0.00 -0.02 0.00 0.00 33.50 31.39 2qke n PRO 71 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2qke h PRO 72 N 0.00 0.60 -0.34 0.52 0.13 -2.00 -1.99 132.00 128.91 2qke h PRO 72 Ca 0.80 -0.33 -0.00 0.00 -0.87 0.00 0.00 66.00 65.60 2qke h PRO 72 Cb 2.08 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 33.21 2qke h PRO 72 CO -0.77 0.93 0.21 0.28 -0.23 0.00 0.00 178.00 178.41 2qke h VAL 73 N 0.48 1.12 -0.10 1.56 2.07 -0.39 -1.81 116.25 119.18 2qke h VAL 73 Ca 0.03 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 2qke h VAL 73 Cb 0.98 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 2qke h VAL 73 CO 0.09 0.12 -0.07 0.03 0.02 0.00 0.00 177.57 177.76 2qke h ARG 74 N 0.45 0.15 0.04 1.57 3.08 -1.15 -0.83 114.38 117.68 2qke h ARG 74 Ca 0.12 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 2qke h ARG 74 Cb 0.02 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 2qke h ARG 74 CO -0.02 0.24 -0.04 -0.09 -1.07 0.00 0.00 179.97 178.98 2qke h ARG 75 N 0.15 -0.08 -0.68 0.04 2.43 -0.55 -0.06 114.38 115.63 2qke h ARG 75 Ca 0.03 0.01 0.14 0.00 -0.81 0.00 0.00 59.98 59.35 2qke h ARG 75 Cb 0.23 0.02 -0.12 0.00 -0.42 0.00 0.00 29.97 29.68 2qke h ARG 75 CO 0.01 -0.05 -0.04 0.82 -1.51 0.00 0.00 179.97 179.20 2qke h ILE 76 N -0.08 0.40 -0.38 1.20 2.04 -1.21 -0.10 117.51 119.37 2qke h ILE 76 Ca -0.00 -0.03 0.07 0.00 1.00 0.00 0.00 64.86 65.90 2qke h ILE 76 Cb 0.07 0.31 -0.07 0.00 -0.74 0.00 0.00 36.82 36.40 2qke h ILE 76 CO -0.01 0.01 -0.06 0.40 0.00 0.00 0.00 178.15 178.50 2qke h ILE 77 N 0.08 0.66 -0.25 -0.67 1.08 -0.99 0.32 117.51 117.74 2qke h ILE 77 Ca 0.35 -0.01 -0.01 0.00 -0.39 0.00 0.00 64.86 64.79 2qke h ILE 77 Cb 0.58 0.61 -0.01 0.00 -3.07 0.00 0.00 36.82 34.93 2qke h ILE 77 CO -0.62 0.01 0.09 1.23 -0.69 0.00 0.00 178.15 178.17 2qke h GLY 78 N 0.04 0.37 0.69 5.37 0.00 0.75 -0.51 103.07 109.77 2qke h GLY 78 Ca 0.18 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 2qke h GLY 78 CO -0.36 0.16 -0.09 -1.80 0.00 0.00 0.00 176.54 174.44 2qke h ASP 79 N 0.34 -0.22 -0.85 0.19 3.58 0.52 0.70 116.42 120.68 2qke h ASP 79 Ca 0.09 -0.22 0.17 0.00 0.42 0.00 0.00 57.03 57.48 2qke h ASP 79 Cb 0.09 0.06 -0.06 0.00 1.72 0.00 0.00 39.33 41.13 2qke h ASP 79 CO -0.01 0.12 0.56 -0.07 -2.88 0.00 0.00 179.24 176.96 2qke h LEU 80 N -0.57 0.49 0.00 2.28 3.38 0.11 -2.13 115.31 118.87 2qke h LEU 80 Ca -0.03 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2qke h LEU 80 Cb 0.43 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 2qke h LEU 80 CO 0.04 0.23 -0.02 0.28 0.09 0.00 0.00 178.44 179.07 2qke h SER 81 N 0.51 0.00 0.83 -0.43 0.02 -0.81 -1.33 113.55 112.33 2qke h SER 81 Ca 0.43 -0.58 -0.14 0.00 -0.84 0.00 0.00 61.79 60.66 2qke h SER 81 Cb 0.91 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.43 2qke h SER 81 CO -0.17 0.80 -1.26 0.78 -1.14 0.00 0.00 176.83 175.84 2qke h ASN 82 N -1.00 0.00 0.01 3.07 2.35 -0.86 -3.10 115.58 116.06 2qke h ASN 82 Ca -0.00 0.00 -0.40 0.00 -0.55 0.00 0.00 56.30 55.35 2qke h ASN 82 Cb 0.59 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.91 2qke h ASN 82 CO -0.00 0.49 -2.28 0.54 -1.65 0.00 0.00 177.43 174.53 2qke n ARG 83 N -2.90 0.62 0.02 0.81 1.74 -0.83 -4.64 116.66 111.48 2qke n ARG 83 Ca -0.07 0.28 -0.13 0.00 -0.77 0.00 0.00 57.85 57.16 2qke n ARG 83 Cb 0.79 -1.56 -0.14 0.00 -1.02 0.00 0.00 32.46 30.53 2qke n ARG 83 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2qke h GLU 84 N -0.59 0.11 -6.08 5.56 4.39 -1.54 -3.49 114.58 112.94 2qke h GLU 84 Ca -0.59 -0.19 -0.41 0.00 0.34 0.00 0.00 59.36 58.52 2qke h GLU 84 Cb 1.70 0.07 0.07 0.00 -0.10 0.00 0.00 28.75 30.49 2qke h GLU 84 CO -0.24 0.85 -0.87 1.17 -1.16 0.00 0.00 179.01 178.76 2qke n LYS 85 N -3.27 -3.57 0.00 2.33 3.00 -0.53 -4.91 118.16 111.22 2qke n LYS 85 Ca -0.17 0.59 0.00 0.00 -0.00 0.00 0.00 58.31 58.73 2qke n LYS 85 Cb 1.03 -4.94 0.00 0.00 0.00 0.00 0.00 35.03 31.12 2qke n LYS 85 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 2qke n VAL 86 N -4.14 0.00 -4.23 3.15 0.24 -1.05 -4.97 118.33 107.33 2qke n VAL 86 Ca -0.23 -0.50 -0.34 0.00 -2.04 0.00 0.00 64.34 61.23 2qke n VAL 86 Cb 0.65 1.00 -0.11 0.00 -1.47 0.00 0.00 33.84 33.91 2qke n VAL 86 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2qke s LEU 87 N -0.62 3.48 -0.16 1.34 2.96 -1.26 -0.14 118.68 124.28 2qke s LEU 87 Ca 0.00 -0.04 -0.24 0.00 -0.22 0.00 0.00 54.13 53.63 2qke s LEU 87 Cb 0.00 -1.86 -0.21 0.00 0.50 0.00 0.00 46.19 44.62 2qke s LEU 87 CO 0.00 0.17 0.52 0.40 -1.32 0.00 0.00 176.35 176.12 2qke h ILE 88 N 5.04 1.35 0.00 6.68 1.08 -0.63 -3.47 117.51 127.55 2qke h ILE 88 Ca -0.34 -2.15 0.00 0.00 -0.39 0.00 0.00 64.86 61.99 2qke h ILE 88 Cb 1.18 2.69 0.00 0.00 -3.07 0.00 0.00 36.82 37.62 2qke h ILE 88 CO 0.66 0.46 0.00 0.61 -0.69 0.00 0.00 178.15 179.19 2qke n GLY 89 N 1.57 -0.59 2.58 5.37 0.00 -1.15 -4.65 105.19 108.33 2qke n GLY 89 Ca -0.15 -0.63 -0.17 0.00 0.00 0.00 0.00 46.02 45.07 2qke n GLY 89 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qke n LEU 90 N 0.00 0.00 -3.58 0.99 4.77 0.02 -1.93 117.00 117.28 2qke n LEU 90 Ca 0.00 -2.51 -0.15 0.00 -0.03 0.00 0.00 56.01 53.32 2qke n LEU 90 Cb 0.00 1.19 -0.06 0.00 -2.33 0.00 0.00 43.42 42.22 2qke n LEU 90 CO 0.00 -0.41 0.47 -0.62 -1.33 0.00 0.00 177.39 175.51 2qke s ASP 91 N -2.89 -0.66 -0.15 -1.43 2.15 -0.91 -0.02 116.67 112.75 2qke s ASP 91 Ca 0.28 1.02 -0.00 0.00 0.43 0.00 0.00 52.55 54.27 2qke s ASP 91 Cb 0.01 0.94 0.04 0.00 -0.30 0.00 0.00 42.92 43.61 2qke s ASP 91 CO 0.20 -0.41 -0.07 -0.22 -0.17 0.00 0.00 175.17 174.50 2qke s LEU 92 N -0.42 1.51 0.44 -1.34 2.96 -1.26 -2.03 118.68 118.55 2qke s LEU 92 Ca -0.05 -0.56 0.07 0.00 -0.22 0.00 0.00 54.13 53.37 2qke s LEU 92 Cb -0.03 -0.92 -0.03 0.00 0.50 0.00 0.00 46.19 45.72 2qke s LEU 92 CO 0.04 -0.16 0.26 -0.76 -1.32 0.00 0.00 176.35 174.42 2qke s LEU 93 N 1.64 3.07 -0.21 -0.68 1.43 -0.91 -5.01 118.68 118.01 2qke s LEU 93 Ca 0.02 -1.06 -0.04 0.00 -1.03 0.00 0.00 54.13 52.02 2qke s LEU 93 Cb -0.14 -1.51 0.07 0.00 0.03 0.00 0.00 46.19 44.64 2qke s LEU 93 CO -0.08 -0.69 0.10 -0.47 0.23 0.00 0.00 176.35 175.44 2qke s TYR 94 N -2.61 0.34 -1.42 0.29 6.14 -1.26 -2.46 117.35 116.37 2qke s TYR 94 Ca 0.40 -0.55 0.00 0.00 0.64 0.00 0.00 57.07 57.56 2qke s TYR 94 Cb 0.01 -0.80 0.00 0.00 0.42 0.00 0.00 41.96 41.59 2qke s TYR 94 CO 0.23 -0.61 0.06 0.39 0.64 0.00 0.00 175.55 176.25 2qke n GLU 95 N 5.24 0.09 -3.39 4.97 1.02 -1.10 -4.79 120.64 122.69 2qke n GLU 95 Ca -0.07 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.70 2qke n GLU 95 Cb 0.47 -1.03 -0.07 0.00 -0.02 0.00 0.00 31.44 30.79 2qke n GLU 95 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2qke s GLU 96 N -1.42 4.25 0.00 3.49 2.12 -1.26 -4.71 118.70 121.17 2qke s GLU 96 Ca 0.00 0.27 0.25 0.00 0.36 0.00 0.00 54.97 55.85 2qke s GLU 96 Cb 0.00 -3.48 0.52 0.00 0.26 0.00 0.00 34.13 31.43 2qke s GLU 96 CO 0.00 0.08 1.44 0.44 -0.54 0.00 0.00 175.26 176.69 2qke n ILE 97 N 3.95 0.02 0.00 -3.70 -5.35 -1.26 -5.03 119.36 107.99 2qke n ILE 97 Ca -0.09 -0.41 0.00 0.00 -0.27 0.00 0.00 62.75 61.98 2qke n ILE 97 Cb 0.51 1.10 0.00 0.00 -1.74 0.00 0.00 39.64 39.52 2qke n ILE 97 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qke n GLY 98 N 1.29 2.72 2.24 3.28 0.00 -1.26 -4.97 105.19 108.49 2qke n GLY 98 Ca 0.16 0.04 -0.01 0.00 0.00 0.00 0.00 46.02 46.21 2qke n GLY 98 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2qke n ASP 99 N 1.93 -4.99 -2.05 1.61 -0.08 -1.26 -4.89 116.55 106.81 2qke n ASP 99 Ca 0.00 0.89 -0.02 0.00 -1.51 0.00 0.00 54.79 54.15 2qke n ASP 99 Cb 0.00 -3.70 -0.02 0.00 2.34 0.00 0.00 41.12 39.74 2qke n ASP 99 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 2qke n GLN 100 N 0.54 -3.28 -1.71 -0.67 7.27 -1.26 -4.97 117.38 113.30 2qke n GLN 100 Ca -0.04 2.59 -0.34 0.00 0.07 0.00 0.00 57.00 59.27 2qke n GLN 100 Cb 0.07 -3.51 0.06 0.00 2.41 0.00 0.00 30.24 29.27 2qke n GLN 100 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2qke s ALA 101 N -0.42 2.35 0.00 1.69 0.00 -1.26 -5.22 121.76 118.90 2qke s ALA 101 Ca -0.09 0.80 0.00 0.00 0.00 0.00 0.00 51.96 52.66 2qke s ALA 101 Cb 0.01 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.72 2qke s ALA 101 CO 0.26 -1.47 0.00 -1.91 0.00 0.00 0.00 175.76 172.64