#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qke s PRO 3 N 0.00 3.53 0.00 0.00 0.04 -1.26 -4.97 135.00 132.34 2qke s PRO 3 Ca 0.00 -1.48 0.00 0.00 0.04 0.00 0.00 61.00 59.56 2qke s PRO 3 Cb 0.00 -5.40 0.00 0.00 0.04 0.00 0.00 34.50 29.14 2qke s PRO 3 CO 0.00 -2.60 0.00 1.47 0.04 0.00 0.00 177.00 175.91 2qke n LEU 4 N 9.89 0.00 -3.81 -3.56 -0.00 -1.26 -5.05 117.00 113.21 2qke n LEU 4 Ca 0.43 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 56.43 2qke n LEU 4 Cb 0.48 -0.01 0.00 0.00 -0.00 0.00 0.00 43.42 43.89 2qke n LEU 4 CO 0.71 0.00 0.87 0.00 -0.00 0.00 0.00 177.39 178.98 2qke s ARG 5 N -0.02 0.99 -0.03 1.47 1.70 -1.26 -5.14 118.95 116.65 2qke s ARG 5 Ca 0.00 -0.60 0.06 0.00 -0.47 0.00 0.00 55.73 54.72 2qke s ARG 5 Cb 0.00 0.30 -0.01 0.00 -0.57 0.00 0.00 34.95 34.67 2qke s ARG 5 CO 0.00 -0.46 -0.20 0.15 -1.08 0.00 0.00 175.30 173.71 2qke s LYS 6 N -2.49 1.78 0.37 3.89 1.02 -1.26 -3.44 119.74 119.60 2qke s LYS 6 Ca 0.19 -0.72 -0.11 0.00 0.02 0.00 0.00 55.97 55.36 2qke s LYS 6 Cb -0.01 -1.64 0.03 0.00 -0.52 0.00 0.00 37.83 35.70 2qke s LYS 6 CO 0.02 0.38 0.66 0.95 -0.92 0.00 0.00 175.35 176.44 2qke s THR 7 N -0.31 0.00 -0.12 2.17 -4.23 -1.22 -4.97 115.64 106.95 2qke s THR 7 Ca 0.04 -1.24 -0.29 0.00 -1.18 0.00 0.00 61.69 59.02 2qke s THR 7 Cb -0.09 -2.76 -0.01 0.00 1.34 0.00 0.00 72.50 70.98 2qke s THR 7 CO 0.00 0.00 0.97 -0.31 -0.54 0.00 0.00 174.62 174.75 2qke s TYR 8 N -2.66 3.50 -0.20 3.99 1.51 -1.04 -1.53 117.35 120.93 2qke s TYR 8 Ca 0.21 1.53 -0.10 0.00 -1.01 0.00 0.00 57.07 57.71 2qke s TYR 8 Cb -0.03 -3.15 -0.05 0.00 -0.11 0.00 0.00 41.96 38.62 2qke s TYR 8 CO 0.15 -0.22 0.13 0.08 -1.11 0.00 0.00 175.55 174.58 2qke s VAL 9 N 2.01 5.40 -0.70 0.71 1.01 0.65 -0.91 120.40 128.58 2qke s VAL 9 Ca 0.46 0.19 -0.16 0.00 0.00 0.00 0.00 61.98 62.47 2qke s VAL 9 Cb -0.18 -3.46 0.15 0.00 0.00 0.00 0.00 36.38 32.89 2qke s VAL 9 CO 0.17 0.45 0.71 -0.22 0.00 0.00 0.00 175.10 176.21 2qke s LEU 10 N 0.32 6.07 -0.36 3.92 2.96 0.17 -1.56 118.68 130.19 2qke s LEU 10 Ca 0.08 -2.04 -0.25 0.00 -0.22 0.00 0.00 54.13 51.70 2qke s LEU 10 Cb -0.11 -2.25 0.01 0.00 0.50 0.00 0.00 46.19 44.34 2qke s LEU 10 CO -0.02 -0.85 0.88 -0.54 -1.32 0.00 0.00 176.35 174.50 2qke s LYS 11 N 1.49 3.82 -0.14 1.98 1.02 -0.39 -2.13 119.74 125.38 2qke s LYS 11 Ca 0.14 0.50 -0.08 0.00 0.02 0.00 0.00 55.97 56.55 2qke s LYS 11 Cb -0.19 -3.80 -0.04 0.00 -0.52 0.00 0.00 37.83 33.28 2qke s LYS 11 CO -0.02 -0.91 0.13 -0.51 -0.92 0.00 0.00 175.35 173.13 2qke s LEU 12 N 3.34 4.31 -0.32 3.17 1.02 -0.83 -1.23 118.68 128.14 2qke s LEU 12 Ca 0.36 0.39 -0.02 0.00 0.02 0.00 0.00 54.13 54.88 2qke s LEU 12 Cb -0.12 -2.07 0.06 0.00 0.02 0.00 0.00 46.19 44.08 2qke s LEU 12 CO 0.18 0.34 0.04 -0.31 0.02 0.00 0.00 176.35 176.62 2qke s TYR 13 N -0.63 3.34 0.04 0.29 1.51 -0.00 -1.04 117.35 120.84 2qke s TYR 13 Ca 0.13 -1.99 0.04 0.00 -1.01 0.00 0.00 57.07 54.24 2qke s TYR 13 Cb -0.12 -2.33 -0.04 0.00 -0.11 0.00 0.00 41.96 39.36 2qke s TYR 13 CO 0.02 -0.83 -0.04 0.14 -1.11 0.00 0.00 175.55 173.72 2qke s VAL 14 N 1.23 3.78 -1.18 0.71 -7.23 -0.80 -0.13 120.40 116.78 2qke s VAL 14 Ca -0.02 -0.86 -0.13 0.00 -1.81 0.00 0.00 61.98 59.17 2qke s VAL 14 Cb -0.20 -2.71 0.20 0.00 0.56 0.00 0.00 36.38 34.23 2qke s VAL 14 CO -0.02 0.29 1.35 0.00 -0.31 0.00 0.00 175.10 176.41 2qke s ALA 15 N -1.11 4.20 0.00 1.32 0.00 0.15 -0.97 121.76 125.35 2qke s ALA 15 Ca 0.20 -3.49 0.00 0.00 0.00 0.00 0.00 51.96 48.67 2qke s ALA 15 Cb -0.11 -3.98 0.00 0.00 0.00 0.00 0.00 23.12 19.03 2qke s ALA 15 CO 0.11 -2.62 0.00 0.41 0.00 0.00 0.00 175.76 173.66 2qke n GLY 16 N 3.73 -3.24 3.20 0.00 0.00 -1.26 -4.86 105.19 102.76 2qke n GLY 16 Ca 0.33 -1.83 -0.13 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.27 1.51 0.13 1.61 0.01 -1.26 -4.96 114.94 110.71 2qke s ASN 17 Ca 0.00 -0.94 -0.11 0.00 -0.71 0.00 0.00 52.86 51.10 2qke s ASN 17 Cb 0.00 0.02 0.01 0.00 0.41 0.00 0.00 41.25 41.69 2qke s ASN 17 CO 0.00 -0.34 0.29 0.42 -1.51 0.00 0.00 177.10 175.96 2qke s THR 18 N -3.07 0.10 0.12 1.60 -4.23 -1.26 -5.01 115.64 103.88 2qke s THR 18 Ca 0.11 -1.07 -0.30 0.00 -1.18 0.00 0.00 61.69 59.25 2qke s THR 18 Cb 0.01 -1.46 -0.08 0.00 1.34 0.00 0.00 72.50 72.32 2qke s THR 18 CO -0.01 -0.44 1.58 1.55 -0.54 0.00 0.00 174.62 176.76 2qke h PRO 19 N 2.56 -0.54 0.18 3.99 0.13 -2.01 0.46 132.00 136.77 2qke h PRO 19 Ca -0.33 0.04 0.01 0.00 -0.87 0.00 0.00 66.00 64.85 2qke h PRO 19 Cb 1.22 0.12 -0.03 0.00 0.13 0.00 0.00 31.00 32.45 2qke h PRO 19 CO 0.50 -0.36 -0.27 -0.91 -0.23 0.00 0.00 178.00 176.73 2qke h ASN 20 N -0.56 -0.76 -0.89 1.44 2.35 -1.98 0.72 115.58 115.89 2qke h ASN 20 Ca 0.05 0.08 0.09 0.00 -0.55 0.00 0.00 56.30 55.97 2qke h ASN 20 Cb 0.65 0.28 -0.06 0.00 0.05 0.00 0.00 38.32 39.24 2qke h ASN 20 CO -0.35 -0.38 0.58 0.77 -1.65 0.00 0.00 177.43 176.41 2qke h SER 21 N -0.52 0.83 0.40 5.81 4.64 -1.93 0.87 113.55 123.65 2qke h SER 21 Ca 0.02 0.02 -0.14 0.00 -0.47 0.00 0.00 61.79 61.21 2qke h SER 21 Cb 0.52 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 2qke h SER 21 CO -0.12 0.50 -0.60 0.58 -0.87 0.00 0.00 176.83 176.32 2qke h VAL 22 N 0.92 1.39 0.75 0.95 2.07 0.97 0.10 116.25 123.41 2qke h VAL 22 Ca 0.41 -1.98 -0.04 0.00 0.82 0.00 0.00 66.70 65.91 2qke h VAL 22 Cb 0.35 2.01 0.01 0.00 -1.52 0.00 0.00 31.29 32.14 2qke h VAL 22 CO -0.17 0.58 -0.36 -0.09 0.02 0.00 0.00 177.57 177.55 2qke h ARG 23 N 0.15 -0.97 -0.96 1.57 2.43 0.25 -2.02 114.38 114.83 2qke h ARG 23 Ca -0.01 0.07 0.09 0.00 -0.81 0.00 0.00 59.98 59.32 2qke h ARG 23 Cb 1.09 0.22 -0.07 0.00 -0.42 0.00 0.00 29.97 30.79 2qke h ARG 23 CO 0.09 -0.65 0.61 0.00 -1.51 0.00 0.00 179.97 178.52 2qke h ALA 24 N -1.32 1.54 0.00 2.80 0.00 -0.94 0.59 119.26 121.92 2qke h ALA 24 Ca -0.10 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2qke h ALA 24 Cb 0.77 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2qke h ALA 24 CO 0.17 0.27 -0.08 -0.07 0.00 0.00 0.00 179.25 179.54 2qke h LEU 25 N 1.00 0.00 0.06 0.00 3.38 -0.74 0.45 115.31 119.46 2qke h LEU 25 Ca 0.44 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.30 2qke h LEU 25 Cb 0.36 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.11 2qke h LEU 25 CO -0.20 0.08 -0.52 0.11 0.09 0.00 0.00 178.44 178.01 2qke h LYS 26 N 0.00 0.14 -0.15 1.13 1.57 0.46 -2.31 116.57 117.40 2qke h LYS 26 Ca -0.00 -0.23 0.05 0.00 -1.87 0.00 0.00 60.65 58.60 2qke h LYS 26 Cb 0.17 0.09 -0.07 0.00 0.08 0.00 0.00 32.23 32.50 2qke h LYS 26 CO 0.01 1.11 -0.33 1.15 -0.57 0.00 0.00 179.45 180.82 2qke h THR 27 N -0.70 0.26 -0.08 -0.16 2.02 0.53 0.19 112.91 114.98 2qke h THR 27 Ca -0.10 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.11 2qke h THR 27 Cb 1.33 0.26 -0.06 0.00 -1.74 0.00 0.00 68.15 67.94 2qke h THR 27 CO 0.05 0.00 -0.45 0.25 0.37 0.00 0.00 175.52 175.74 2qke h LEU 28 N -0.40 -1.40 -0.49 2.58 5.85 -0.22 -0.41 115.31 120.83 2qke h LEU 28 Ca 0.10 0.18 0.09 0.00 0.84 0.00 0.00 57.88 59.08 2qke h LEU 28 Cb 0.56 0.56 -0.07 0.00 0.37 0.00 0.00 40.66 42.07 2qke h LEU 28 CO -0.37 -0.46 0.05 -1.13 -0.34 0.00 0.00 178.44 176.19 2qke h ASN 29 N -0.55 -0.10 -0.26 1.25 -0.73 -1.03 -1.04 115.58 113.12 2qke h ASN 29 Ca 0.06 0.10 0.04 0.00 1.87 0.00 0.00 56.30 58.37 2qke h ASN 29 Cb 0.66 0.16 -0.07 0.00 0.27 0.00 0.00 38.32 39.34 2qke h ASN 29 CO -0.38 -0.02 -0.54 -1.13 -0.37 0.00 0.00 177.43 174.99 2qke h ASN 30 N 0.17 -1.75 -0.73 1.15 -1.24 0.25 -2.45 115.58 110.98 2qke h ASN 30 Ca 0.24 0.22 0.15 0.00 0.71 0.00 0.00 56.30 57.62 2qke h ASN 30 Cb 0.35 0.70 -0.14 0.00 0.73 0.00 0.00 38.32 39.96 2qke h ASN 30 CO -0.36 -0.43 -0.18 0.40 -1.29 0.00 0.00 177.43 175.56 2qke h ILE 31 N -0.48 0.27 0.00 2.57 2.04 0.20 0.10 117.51 122.21 2qke h ILE 31 Ca 0.05 -0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.89 2qke h ILE 31 Cb 0.62 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 2qke h ILE 31 CO -0.50 0.00 -0.07 -0.07 0.00 0.00 0.00 178.15 177.50 2qke h LEU 32 N 0.00 0.00 -0.70 1.44 3.38 -0.95 0.14 115.31 118.63 2qke h LEU 32 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 2qke h LEU 32 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2qke h LEU 32 CO -0.75 0.07 -0.09 -0.62 0.09 0.00 0.00 178.44 177.14 2qke n GLU 33 N -4.03 1.28 -0.06 1.13 1.02 0.32 -2.46 120.64 117.83 2qke n GLU 33 Ca -0.03 -0.70 -0.11 0.00 -0.02 0.00 0.00 57.16 56.31 2qke n GLU 33 Cb 0.16 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 30.05 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 -0.25 0.28 -0.13 3.49 4.81 -0.61 -4.69 118.16 121.05 2qke n LYS 34 Ca 0.17 0.09 -0.19 0.00 -0.87 0.00 0.00 58.31 57.51 2qke n LYS 34 Cb 0.33 -1.10 -0.12 0.00 0.02 0.00 0.00 35.03 34.16 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 -3.18 0.65 -2.57 1.64 1.02 -0.06 -4.67 120.64 113.46 2qke n GLU 35 Ca -0.23 0.16 -0.31 0.00 -0.02 0.00 0.00 57.16 56.76 2qke n GLU 35 Cb 0.70 -1.52 -0.00 0.00 -0.02 0.00 0.00 31.44 30.60 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 -3.36 3.48 -1.62 -0.32 3.01 -1.03 -5.06 117.46 112.57 2qke n PHE 36 Ca -0.47 -3.22 -0.46 0.00 1.01 0.00 0.00 57.45 54.31 2qke n PHE 36 Cb 0.98 -0.54 -0.03 0.00 -0.01 0.00 0.00 39.48 39.88 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 -0.35 1.56 -1.71 -1.08 -0.00 -1.04 -2.70 118.16 112.84 2qke n LYS 37 Ca 0.40 0.55 -0.06 0.00 -0.00 0.00 0.00 58.31 59.20 2qke n LYS 37 Cb 0.45 -2.09 -0.02 0.00 -0.00 0.00 0.00 35.03 33.37 2qke n LYS 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2qke n GLY 38 N 1.85 0.11 0.15 2.58 0.00 -1.26 -4.62 105.19 103.99 2qke n GLY 38 Ca 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.14 2qke n GLY 38 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2qke n VAL 39 N -2.01 0.01 -4.58 1.61 0.31 -1.10 -4.82 118.33 107.75 2qke n VAL 39 Ca -0.06 -0.01 -0.21 0.00 -0.01 0.00 0.00 64.34 64.05 2qke n VAL 39 Cb 0.34 -0.66 -0.15 0.00 -0.91 0.00 0.00 33.84 32.46 2qke n VAL 39 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 2qke s TYR 40 N -2.01 1.15 -0.03 3.52 1.51 -1.17 -2.49 117.35 117.83 2qke s TYR 40 Ca -0.00 -0.22 0.02 0.00 -1.01 0.00 0.00 57.07 55.86 2qke s TYR 40 Cb 0.00 -0.74 0.01 0.00 -0.11 0.00 0.00 41.96 41.12 2qke s TYR 40 CO 0.01 -0.02 -0.09 0.00 -1.11 0.00 0.00 175.55 174.33 2qke s ALA 41 N -0.30 0.92 0.16 3.71 0.00 -0.09 -4.81 121.76 121.36 2qke s ALA 41 Ca 0.05 -0.32 -0.21 0.00 0.00 0.00 0.00 51.96 51.48 2qke s ALA 41 Cb -0.05 -0.38 -0.08 0.00 0.00 0.00 0.00 23.12 22.62 2qke s ALA 41 CO -0.00 0.12 0.68 -1.17 0.00 0.00 0.00 175.76 175.39 2qke s LEU 42 N 0.35 4.46 -0.23 0.00 2.96 -1.26 0.45 118.68 125.41 2qke s LEU 42 Ca -0.06 1.42 -0.03 0.00 -0.22 0.00 0.00 54.13 55.23 2qke s LEU 42 Cb -0.10 -3.30 0.12 0.00 0.50 0.00 0.00 46.19 43.40 2qke s LEU 42 CO 0.01 0.15 0.32 -0.75 -1.32 0.00 0.00 176.35 174.76 2qke s LYS 43 N -1.51 0.29 -0.01 1.98 2.20 -0.91 -4.89 119.74 116.89 2qke s LYS 43 Ca 0.37 0.43 -0.15 0.00 -0.36 0.00 0.00 55.97 56.25 2qke s LYS 43 Cb -0.19 -0.72 -0.06 0.00 -1.51 0.00 0.00 37.83 35.35 2qke s LYS 43 CO 0.22 -0.64 0.42 0.08 -0.36 0.00 0.00 175.35 175.07 2qke s VAL 44 N 2.47 5.04 -0.27 4.02 1.01 -1.26 -1.97 120.40 129.43 2qke s VAL 44 Ca 0.10 0.85 0.01 0.00 0.00 0.00 0.00 61.98 62.95 2qke s VAL 44 Cb -0.15 -3.72 0.08 0.00 0.00 0.00 0.00 36.38 32.58 2qke s VAL 44 CO -0.14 0.56 -0.00 -0.63 0.00 0.00 0.00 175.10 174.88 2qke s ILE 45 N -0.92 1.52 -0.65 2.22 1.01 -0.21 -4.95 121.20 119.21 2qke s ILE 45 Ca 0.24 -1.46 -0.27 0.00 0.00 0.00 0.00 60.65 59.16 2qke s ILE 45 Cb -0.17 -1.92 0.03 0.00 0.01 0.00 0.00 42.46 40.42 2qke s ILE 45 CO 0.13 -0.32 1.21 -0.62 0.00 0.00 0.00 174.94 175.34 2qke s ASP 46 N 1.36 6.30 0.56 3.58 3.68 -1.26 -1.91 116.67 128.98 2qke s ASP 46 Ca 0.01 -0.21 0.30 0.00 2.13 0.00 0.00 52.55 54.78 2qke s ASP 46 Cb -0.19 -2.54 1.65 0.00 -1.45 0.00 0.00 42.92 40.39 2qke s ASP 46 CO -0.10 -1.63 2.15 0.58 0.13 0.00 0.00 175.17 176.30 2qke h VAL 47 N 6.09 0.46 -0.07 1.11 2.07 -1.23 -1.72 116.25 122.96 2qke h VAL 47 Ca -0.27 -0.34 -0.04 0.00 0.82 0.00 0.00 66.70 66.88 2qke h VAL 47 Cb 1.06 1.23 -0.00 0.00 -1.52 0.00 0.00 31.29 32.05 2qke h VAL 47 CO 1.22 0.07 -0.11 0.25 0.02 0.00 0.00 177.57 179.03 2qke h LEU 48 N 0.00 0.21 0.00 2.57 5.85 -1.89 -2.56 115.31 119.48 2qke h LEU 48 Ca -0.00 -0.54 0.00 0.00 0.84 0.00 0.00 57.88 58.18 2qke h LEU 48 Cb 0.22 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.19 2qke h LEU 48 CO 0.01 0.71 0.00 1.17 -0.34 0.00 0.00 178.44 179.98 2qke n LYS 49 N -4.66 0.00 -3.55 1.25 4.81 -1.03 -4.56 118.16 110.42 2qke n LYS 49 Ca -0.08 0.35 -0.41 0.00 -0.87 0.00 0.00 58.31 57.30 2qke n LYS 49 Cb 0.34 -1.22 -0.09 0.00 0.02 0.00 0.00 35.03 34.08 2qke n LYS 49 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 2qke s ASN 50 N -2.09 5.73 0.09 3.14 0.01 -0.68 -4.98 114.94 116.16 2qke s ASN 50 Ca 0.00 -1.67 -0.15 0.00 -0.71 0.00 0.00 52.86 50.33 2qke s ASN 50 Cb 0.00 -2.02 -0.11 0.00 0.41 0.00 0.00 41.25 39.53 2qke s ASN 50 CO 0.00 -0.62 1.37 -0.65 -1.51 0.00 0.00 177.10 175.68 2qke h PRO 51 N 8.47 0.70 -6.74 -0.60 0.11 -1.69 -3.37 132.00 128.88 2qke h PRO 51 Ca -0.23 -0.44 -0.54 0.00 0.11 0.00 0.00 66.00 64.90 2qke h PRO 51 Cb 1.08 0.05 0.21 0.00 0.11 0.00 0.00 31.00 32.45 2qke h PRO 51 CO 0.82 1.06 -0.52 1.04 -0.21 0.00 0.00 178.00 180.19 2qke n GLN 52 N -4.19 -0.08 -5.08 1.05 6.02 -1.26 -4.97 117.38 108.87 2qke n GLN 52 Ca -0.05 0.02 -0.29 0.00 -0.01 0.00 0.00 57.00 56.68 2qke n GLN 52 Cb 0.55 -1.85 -0.16 0.00 1.02 0.00 0.00 30.24 29.80 2qke n GLN 52 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2qke s LEU 53 N -0.73 2.02 0.00 1.08 2.96 -1.26 -5.07 118.68 117.68 2qke s LEU 53 Ca 0.60 -0.42 -0.20 0.00 -0.22 0.00 0.00 54.13 53.89 2qke s LEU 53 Cb -0.26 -1.16 0.30 0.00 0.50 0.00 0.00 46.19 45.58 2qke s LEU 53 CO 0.64 0.24 0.85 0.00 -1.32 0.00 0.00 176.35 176.76 2qke n ALA 54 N 2.79 -3.86 0.15 5.97 0.00 -1.26 -4.91 120.51 119.38 2qke n ALA 54 Ca -0.17 -1.38 -0.06 0.00 0.00 0.00 0.00 53.44 51.83 2qke n ALA 54 Cb 0.52 -0.11 -0.03 0.00 0.00 0.00 0.00 19.45 19.83 2qke n ALA 54 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2qke h GLU 55 N 0.00 -0.40 0.00 0.00 4.57 -2.04 -3.18 114.58 113.52 2qke h GLU 55 Ca -0.35 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.86 2qke h GLU 55 Cb 1.13 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 2qke h GLU 55 CO 0.22 -0.27 0.00 0.39 -1.18 0.00 0.00 179.01 178.17 2qke n GLU 56 N -4.06 0.83 -2.82 1.92 4.71 -1.26 -4.72 120.64 115.24 2qke n GLU 56 Ca -0.05 0.00 -0.42 0.00 -0.01 0.00 0.00 57.16 56.68 2qke n GLU 56 Cb 0.16 -1.23 -0.04 0.00 -1.01 0.00 0.00 31.44 29.33 2qke n GLU 56 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 2qke s ASP 57 N -1.54 6.83 0.23 1.62 2.15 -1.20 -5.02 116.67 119.74 2qke s ASP 57 Ca 0.18 0.95 0.01 0.00 0.43 0.00 0.00 52.55 54.12 2qke s ASP 57 Cb 0.08 -2.47 -0.05 0.00 -0.30 0.00 0.00 42.92 40.19 2qke s ASP 57 CO 0.14 -0.66 0.09 -1.59 -0.17 0.00 0.00 175.17 172.97 2qke s LYS 58 N 3.13 1.32 -0.17 4.34 -2.85 -1.26 -4.58 119.74 119.67 2qke s LYS 58 Ca 0.38 -1.70 -0.04 0.00 -1.00 0.00 0.00 55.97 53.61 2qke s LYS 58 Cb -0.14 -0.18 0.06 0.00 -2.06 0.00 0.00 37.83 35.51 2qke s LYS 58 CO 0.11 -0.28 0.07 0.42 0.10 0.00 0.00 175.35 175.77 2qke s ILE 59 N -3.80 0.12 0.05 3.79 1.01 -1.26 -4.77 121.20 116.33 2qke s ILE 59 Ca 0.35 -0.27 -0.06 0.00 0.00 0.00 0.00 60.65 60.68 2qke s ILE 59 Cb 0.07 -0.71 -0.05 0.00 0.01 0.00 0.00 42.46 41.79 2qke s ILE 59 CO 0.12 -0.23 0.29 -0.76 0.00 0.00 0.00 174.94 174.36 2qke s LEU 60 N 2.04 4.35 0.79 2.97 1.43 -0.76 -4.88 118.68 124.62 2qke s LEU 60 Ca 0.01 0.55 -0.14 0.00 -1.03 0.00 0.00 54.13 53.51 2qke s LEU 60 Cb -0.16 -2.86 0.03 0.00 0.03 0.00 0.00 46.19 43.23 2qke s LEU 60 CO -0.08 0.20 0.87 0.00 0.23 0.00 0.00 176.35 177.56 2qke n ALA 61 N 0.80 -0.82 0.34 4.21 0.00 -1.26 -1.18 120.51 122.60 2qke n ALA 61 Ca -0.08 -0.32 -0.18 0.00 0.00 0.00 0.00 53.44 52.86 2qke n ALA 61 Cb 0.52 -2.06 -0.09 0.00 0.00 0.00 0.00 19.45 17.83 2qke n ALA 61 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2qke h THR 62 N -0.73 0.32 -0.32 0.00 2.02 -1.91 -3.11 112.91 109.19 2qke h THR 62 Ca -0.46 0.00 0.09 0.00 0.77 0.00 0.00 66.41 66.81 2qke h THR 62 Cb 1.32 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 2qke h THR 62 CO 0.44 0.00 0.26 -0.65 0.37 0.00 0.00 175.52 175.93 2qke h PRO 63 N -0.88 0.00 0.00 6.66 0.11 -1.98 0.86 132.00 136.77 2qke h PRO 63 Ca -0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.03 2qke h PRO 63 Cb 0.69 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.80 2qke h PRO 63 CO 0.11 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.15 2qke n THR 64 N -4.23 0.00 1.36 -1.15 -2.24 -1.18 -3.79 114.28 103.05 2qke n THR 64 Ca 0.05 1.11 0.11 0.00 -2.27 0.00 0.00 64.05 63.05 2qke n THR 64 Cb 0.42 -2.06 0.66 0.00 -2.10 0.00 0.00 70.33 67.25 2qke n THR 64 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2qke n LEU 65 N -1.04 0.00 0.12 3.22 7.94 -1.15 -3.82 117.00 122.27 2qke n LEU 65 Ca 0.00 0.06 0.00 0.00 -1.11 0.00 0.00 56.01 54.96 2qke n LEU 65 Cb 0.00 -0.06 0.02 0.00 0.53 0.00 0.00 43.42 43.91 2qke n LEU 65 CO 0.00 -0.02 0.41 0.00 -1.11 0.00 0.00 177.39 176.68 2qke h ALA 66 N 3.36 0.63 -0.49 1.96 0.00 -0.92 -3.31 119.26 120.49 2qke h ALA 66 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2qke h ALA 66 Cb 0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2qke h ALA 66 CO 0.00 0.76 0.31 0.87 0.00 0.00 0.00 179.25 181.20 2qke h LYS 67 N 0.00 0.65 -0.28 0.00 1.57 -1.73 -2.52 116.57 114.27 2qke h LYS 67 Ca -0.01 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2qke h LYS 67 Cb 1.43 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.60 2qke h LYS 67 CO 0.08 0.45 0.00 1.33 -0.57 0.00 0.00 179.45 180.74 2qke n VAL 68 N -4.45 0.25 -4.07 0.50 0.24 -1.24 -4.90 118.33 104.65 2qke n VAL 68 Ca 0.04 -0.20 -0.22 0.00 -2.04 0.00 0.00 64.34 61.92 2qke n VAL 68 Cb 0.06 -0.01 -0.04 0.00 -1.47 0.00 0.00 33.84 32.39 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 -0.91 3.83 0.37 1.34 1.43 -0.95 -5.07 118.68 118.72 2qke s LEU 69 Ca 0.10 -0.25 -0.26 0.00 -1.03 0.00 0.00 54.13 52.69 2qke s LEU 69 Cb 0.05 -2.37 -0.12 0.00 0.03 0.00 0.00 46.19 43.78 2qke s LEU 69 CO 0.06 -0.07 1.02 -2.65 0.23 0.00 0.00 176.35 174.94 2qke n PRO 70 N -1.22 1.41 -0.15 1.29 -0.02 -1.26 -4.64 135.00 130.41 2qke n PRO 70 Ca -0.07 0.50 -0.11 0.00 -2.02 0.00 0.00 63.50 61.80 2qke n PRO 70 Cb 0.58 -2.00 -0.08 0.00 -0.02 0.00 0.00 33.50 31.98 2qke n PRO 70 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2qke h PRO 71 N 1.75 -0.27 -0.96 0.52 0.11 -1.95 0.15 132.00 131.34 2qke h PRO 71 Ca -0.43 0.02 0.20 0.00 0.11 0.00 0.00 66.00 65.89 2qke h PRO 71 Cb 1.33 0.06 -0.09 0.00 0.11 0.00 0.00 31.00 32.42 2qke h PRO 71 CO 0.58 -0.18 0.61 -1.00 -0.21 0.00 0.00 178.00 177.80 2qke h PRO 72 N -0.28 0.58 -0.51 1.05 0.13 -2.00 1.22 132.00 132.19 2qke h PRO 72 Ca 0.07 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.15 2qke h PRO 72 Cb 0.47 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 31.45 2qke h PRO 72 CO -0.54 0.38 0.26 0.28 -0.23 0.00 0.00 178.00 178.16 2qke h VAL 73 N 0.60 1.18 -0.54 1.56 2.07 -1.45 -2.57 116.25 117.10 2qke h VAL 73 Ca 0.52 -0.49 0.02 0.00 0.82 0.00 0.00 66.70 67.57 2qke h VAL 73 Cb 1.03 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 2qke h VAL 73 CO -0.27 0.20 0.36 0.03 0.02 0.00 0.00 177.57 177.91 2qke h ARG 74 N 0.68 0.66 0.42 1.57 3.08 0.41 -1.23 114.38 119.97 2qke h ARG 74 Ca 0.18 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.17 2qke h ARG 74 Cb 0.08 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 29.99 2qke h ARG 74 CO -0.03 0.44 -0.20 -0.09 -1.07 0.00 0.00 179.97 179.02 2qke h ARG 75 N 0.68 -0.55 -0.65 0.04 2.43 -0.66 -1.69 114.38 113.97 2qke h ARG 75 Ca 0.21 0.04 0.13 0.00 -0.81 0.00 0.00 59.98 59.55 2qke h ARG 75 Cb 0.00 0.12 -0.12 0.00 -0.42 0.00 0.00 29.97 29.55 2qke h ARG 75 CO -0.05 -0.36 -0.17 0.82 -1.51 0.00 0.00 179.97 178.70 2qke h ILE 76 N -0.66 0.34 -0.97 1.20 2.04 -1.41 0.46 117.51 118.52 2qke h ILE 76 Ca -0.06 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.91 2qke h ILE 76 Cb 0.43 0.34 -0.08 0.00 -0.74 0.00 0.00 36.82 36.78 2qke h ILE 76 CO 0.10 0.00 0.62 0.40 0.00 0.00 0.00 178.15 179.26 2qke h ILE 77 N -0.00 0.95 0.18 -0.67 1.08 -1.27 0.89 117.51 118.68 2qke h ILE 77 Ca 0.31 -0.34 -0.01 0.00 -0.39 0.00 0.00 64.86 64.44 2qke h ILE 77 Cb 0.48 -0.11 0.00 0.00 -3.07 0.00 0.00 36.82 34.12 2qke h ILE 77 CO -0.67 0.18 -0.09 1.23 -0.69 0.00 0.00 178.15 178.11 2qke h GLY 78 N 0.98 -0.26 1.06 5.37 0.00 0.82 -2.69 103.07 108.36 2qke h GLY 78 Ca 0.46 0.10 -0.07 0.00 0.00 0.00 0.00 47.33 47.82 2qke h GLY 78 CO -0.22 -0.09 0.17 -0.55 0.00 0.00 0.00 176.54 175.84 2qke h ASP 79 N -0.36 1.06 0.20 0.19 3.32 -0.33 1.10 116.42 121.60 2qke h ASP 79 Ca -0.03 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 56.79 2qke h ASP 79 Cb 0.28 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2qke h ASP 79 CO 0.04 1.02 0.00 -0.07 -1.72 0.00 0.00 179.24 178.51 2qke h LEU 80 N 1.06 0.00 0.00 1.55 3.38 -0.85 0.21 115.31 120.66 2qke h LEU 80 Ca 0.22 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.99 2qke h LEU 80 Cb 0.38 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 2qke h LEU 80 CO 0.00 0.00 -1.76 -1.20 0.09 0.00 0.00 178.44 175.57 2qke n SER 81 N -2.43 2.44 -0.09 -0.43 7.64 -0.45 -0.81 113.62 119.48 2qke n SER 81 Ca -0.01 -0.02 -0.13 0.00 1.01 0.00 0.00 58.87 59.72 2qke n SER 81 Cb 0.09 0.55 -0.08 0.00 -1.01 0.00 0.00 64.21 63.76 2qke n SER 81 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2qke n ASN 82 N -2.52 2.47 0.00 6.43 3.02 0.37 -4.09 115.26 120.94 2qke n ASN 82 Ca -0.19 -0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.29 2qke n ASN 82 Cb 0.84 -0.31 0.00 0.00 -0.61 0.00 0.00 39.78 39.69 2qke n ASN 82 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 2qke n ARG 83 N -3.11 0.00 0.23 3.52 0.63 0.13 -4.26 116.66 113.81 2qke n ARG 83 Ca -0.33 0.31 0.16 0.00 -0.92 0.00 0.00 57.85 57.07 2qke n ARG 83 Cb 0.83 -0.81 0.71 0.00 0.45 0.00 0.00 32.46 33.64 2qke n ARG 83 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 2qke h GLU 84 N 0.00 0.00 -6.88 -0.14 3.07 -0.95 -3.47 114.58 106.21 2qke h GLU 84 Ca 0.00 0.00 -0.58 0.00 -0.50 0.00 0.00 59.36 58.28 2qke h GLU 84 Cb 0.00 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 27.82 2qke h GLU 84 CO 0.00 0.00 -0.97 1.63 -1.40 0.00 0.00 179.01 178.27 2qke n LYS 85 N -2.76 -1.01 0.00 2.33 5.02 -1.22 -4.83 118.16 115.69 2qke n LYS 85 Ca 0.00 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 2qke n LYS 85 Cb 0.22 -3.34 0.00 0.00 -0.02 0.00 0.00 35.03 31.88 2qke n LYS 85 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2qke n VAL 86 N -4.72 0.00 -3.65 -0.18 0.24 -0.48 -5.00 118.33 104.55 2qke n VAL 86 Ca -0.22 -0.33 -0.36 0.00 -2.04 0.00 0.00 64.34 61.39 2qke n VAL 86 Cb 0.64 1.33 -0.08 0.00 -1.47 0.00 0.00 33.84 34.26 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 -0.03 4.23 -0.19 1.34 2.96 0.01 0.34 118.68 127.34 2qke s LEU 87 Ca 0.00 0.35 -0.18 0.00 -0.22 0.00 0.00 54.13 54.08 2qke s LEU 87 Cb 0.00 -2.21 -0.14 0.00 0.50 0.00 0.00 46.19 44.34 2qke s LEU 87 CO 0.00 0.15 0.10 0.40 -1.32 0.00 0.00 176.35 175.68 2qke h ILE 88 N 4.66 0.65 -1.32 6.68 2.04 -0.87 -3.45 117.51 125.90 2qke h ILE 88 Ca -0.41 -1.84 0.00 0.00 1.00 0.00 0.00 64.86 63.61 2qke h ILE 88 Cb 1.16 1.57 0.00 0.00 -0.74 0.00 0.00 36.82 38.81 2qke h ILE 88 CO 0.75 0.22 0.00 0.61 0.00 0.00 0.00 178.15 179.73 2qke n GLY 89 N 1.49 0.94 1.37 5.37 0.00 -1.18 -4.53 105.19 108.65 2qke n GLY 89 Ca -0.25 -0.87 -0.06 0.00 0.00 0.00 0.00 46.02 44.84 2qke n GLY 89 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2qke n LEU 90 N 0.00 0.00 -3.49 0.99 -0.00 -0.32 -0.82 117.00 113.36 2qke n LEU 90 Ca 0.00 -1.16 -0.10 0.00 -0.00 0.00 0.00 56.01 54.75 2qke n LEU 90 Cb 0.00 1.03 -0.02 0.00 -0.00 0.00 0.00 43.42 44.43 2qke n LEU 90 CO 0.00 -0.27 0.62 -0.62 -0.00 0.00 0.00 177.39 177.13 2qke s ASP 91 N -1.88 -0.42 -0.31 1.45 -1.08 -0.36 -1.83 116.67 112.23 2qke s ASP 91 Ca 0.12 0.04 -0.01 0.00 -0.52 0.00 0.00 52.55 52.18 2qke s ASP 91 Cb -0.00 0.43 0.10 0.00 -1.46 0.00 0.00 42.92 41.99 2qke s ASP 91 CO 0.08 -0.68 0.10 -0.22 0.52 0.00 0.00 175.17 174.97 2qke s LEU 92 N -2.43 2.35 0.12 -1.34 2.96 -1.26 -1.27 118.68 117.81 2qke s LEU 92 Ca 0.03 -1.67 0.10 0.00 -0.22 0.00 0.00 54.13 52.37 2qke s LEU 92 Cb -0.01 -0.90 -0.04 0.00 0.50 0.00 0.00 46.19 45.74 2qke s LEU 92 CO -0.09 -0.41 -0.21 -0.76 -1.32 0.00 0.00 176.35 173.56 2qke s LEU 93 N 1.58 2.56 -0.43 -0.68 1.43 -0.60 -4.87 118.68 117.66 2qke s LEU 93 Ca 0.10 -0.62 -0.21 0.00 -1.03 0.00 0.00 54.13 52.37 2qke s LEU 93 Cb -0.17 -1.43 0.02 0.00 0.03 0.00 0.00 46.19 44.64 2qke s LEU 93 CO -0.24 0.18 0.66 -0.47 0.23 0.00 0.00 176.35 176.71 2qke s TYR 94 N -1.10 3.06 0.00 0.29 6.14 -1.26 0.24 117.35 124.72 2qke s TYR 94 Ca 0.16 -0.00 0.00 0.00 0.64 0.00 0.00 57.07 57.87 2qke s TYR 94 Cb -0.10 -3.38 0.00 0.00 0.42 0.00 0.00 41.96 38.90 2qke s TYR 94 CO 0.08 -0.87 0.00 0.39 0.64 0.00 0.00 175.55 175.79 2qke n GLU 95 N 6.31 1.47 -3.43 4.97 1.02 -0.58 -4.96 120.64 125.45 2qke n GLU 95 Ca -0.01 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.89 2qke n GLU 95 Cb 0.48 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.79 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 4.52 0.53 0.16 3.49 2.12 -1.26 -3.45 118.70 124.81 2qke s GLU 96 Ca 0.00 -1.01 -0.31 0.00 0.36 0.00 0.00 54.97 54.01 2qke s GLU 96 Cb 0.00 -1.04 -0.10 0.00 0.26 0.00 0.00 34.13 33.25 2qke s GLU 96 CO 0.00 -1.17 1.56 0.96 -0.54 0.00 0.00 175.26 176.06 2qke s ILE 97 N 1.38 2.68 0.74 -3.70 -4.36 -1.22 -4.97 121.20 111.75 2qke s ILE 97 Ca 0.16 0.48 -0.13 0.00 -0.26 0.00 0.00 60.65 60.90 2qke s ILE 97 Cb -0.19 -3.31 0.04 0.00 1.25 0.00 0.00 42.46 40.25 2qke s ILE 97 CO -0.06 0.04 1.14 -0.83 0.24 0.00 0.00 174.94 175.46 2qke s GLY 98 N 1.19 2.04 0.00 6.27 0.00 -1.26 -4.52 107.32 111.04 2qke s GLY 98 Ca 0.70 0.58 0.00 0.00 0.00 0.00 0.00 44.72 46.00 2qke s GLY 98 CO 0.31 0.95 0.83 1.22 0.00 0.00 0.00 173.10 176.42 2qke n ASP 99 N -2.97 0.00 0.00 1.64 8.00 -1.26 -4.57 116.55 117.39 2qke n ASP 99 Ca 0.11 0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.94 2qke n ASP 99 Cb 0.52 -0.33 0.00 0.00 -0.02 0.00 0.00 41.12 41.28 2qke n ASP 99 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qke n GLN 100 N -1.33 0.00 0.00 -1.24 0.00 -1.26 -5.14 117.38 108.40 2qke n GLN 100 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.00 2qke n GLN 100 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.41 2qke n GLN 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06