#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kau n GLU 2 N 0.00 -3.50 -2.20 0.03 4.71 -1.26 -4.90 120.64 113.53 2kau n GLU 2 Ca 0.00 0.56 -0.42 0.00 -0.01 0.00 0.00 57.16 57.28 2kau n GLU 2 Cb 0.00 -4.84 -0.03 0.00 -1.01 0.00 0.00 31.44 25.56 2kau n GLU 2 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2kau s LEU 3 N -6.59 4.33 0.78 -4.62 1.43 -1.26 -5.02 118.68 107.74 2kau s LEU 3 Ca 0.15 2.18 -0.12 0.00 -1.03 0.00 0.00 54.13 55.31 2kau s LEU 3 Cb -0.05 -3.57 0.06 0.00 0.03 0.00 0.00 46.19 42.67 2kau s LEU 3 CO 0.83 -0.71 1.16 0.42 0.23 0.00 0.00 176.35 178.28 2kau s THR 4 N 2.09 2.38 0.28 5.49 -4.23 -1.26 -4.89 115.64 115.49 2kau s THR 4 Ca 0.65 0.12 -0.03 0.00 -1.18 0.00 0.00 61.69 61.24 2kau s THR 4 Cb -0.33 -3.12 0.27 0.00 1.34 0.00 0.00 72.50 70.65 2kau s THR 4 CO 0.28 -0.16 1.93 -0.65 -0.54 0.00 0.00 174.62 175.48 2kau h PRO 5 N -0.95 1.17 -0.48 3.99 0.11 -2.00 -2.46 132.00 131.39 2kau h PRO 5 Ca -0.46 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 2kau h PRO 5 Cb 1.31 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 2kau h PRO 5 CO 0.65 0.77 0.19 0.07 -0.21 0.00 0.00 178.00 179.47 2kau h ARG 6 N 1.20 0.68 -0.36 1.05 0.11 -1.99 -0.64 114.38 114.44 2kau h ARG 6 Ca 0.36 -0.10 -0.13 0.00 0.10 0.00 0.00 59.98 60.21 2kau h ARG 6 Cb -0.05 -0.13 -0.01 0.00 1.11 0.00 0.00 29.97 30.90 2kau h ARG 6 CO -0.10 0.57 -0.29 0.93 0.10 0.00 0.00 179.97 181.18 2kau h GLU 7 N 0.68 0.83 -0.56 0.08 5.08 -1.83 -2.26 114.58 116.61 2kau h GLU 7 Ca 0.16 -0.41 -0.09 0.00 -1.00 0.00 0.00 59.36 58.02 2kau h GLU 7 Cb 0.14 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2kau h GLU 7 CO -0.02 1.05 -0.02 0.87 -1.00 0.00 0.00 179.01 179.90 2kau h LYS 8 N 0.62 0.97 -0.80 2.33 1.57 -1.19 -2.66 116.57 117.42 2kau h LYS 8 Ca 0.06 -0.30 -0.00 0.00 -1.87 0.00 0.00 60.65 58.54 2kau h LYS 8 Cb 0.87 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.05 2kau h LYS 8 CO 0.08 0.97 0.49 0.22 -0.57 0.00 0.00 179.45 180.64 2kau h ASP 9 N 0.89 0.96 0.47 0.86 -0.00 -0.98 -1.61 116.42 117.00 2kau h ASP 9 Ca 0.16 -0.06 -0.03 0.00 -0.00 0.00 0.00 57.03 57.10 2kau h ASP 9 Cb 0.55 -0.24 -0.00 0.00 -0.00 0.00 0.00 39.33 39.63 2kau h ASP 9 CO 0.03 0.73 -0.15 0.11 -0.00 0.00 0.00 179.24 179.96 2kau h LYS 10 N 1.10 0.00 -0.10 0.28 1.79 -1.11 -1.68 116.57 116.84 2kau h LYS 10 Ca 0.29 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.71 2kau h LYS 10 Cb -0.06 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.58 2kau h LYS 10 CO -0.06 0.15 -0.15 -0.07 -1.08 0.00 0.00 179.45 178.24 2kau h LEU 11 N 0.00 0.16 -0.44 2.94 3.38 -0.96 -0.90 115.31 119.49 2kau h LEU 11 Ca -0.00 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 2kau h LEU 11 Cb 0.42 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2kau h LEU 11 CO 0.02 0.33 -0.26 0.25 0.09 0.00 0.00 178.44 178.87 2kau h LEU 12 N 0.16 0.99 -0.20 1.67 6.46 -1.26 -1.60 115.31 121.53 2kau h LEU 12 Ca 0.03 -0.42 -0.01 0.00 -0.12 0.00 0.00 57.88 57.36 2kau h LEU 12 Cb 0.37 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.02 2kau h LEU 12 CO 0.02 1.19 0.08 0.25 -0.62 0.00 0.00 178.44 179.36 2kau h LEU 13 N 0.79 0.27 -0.17 2.25 5.85 -1.26 -1.68 115.31 121.36 2kau h LEU 13 Ca 0.09 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.69 2kau h LEU 13 Cb 0.84 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.75 2kau h LEU 13 CO 0.07 0.37 -0.10 0.15 -0.34 0.00 0.00 178.44 178.59 2kau h PHE 14 N 0.16 -0.25 -0.83 1.25 3.57 -1.15 -1.20 116.94 118.49 2kau h PHE 14 Ca 0.07 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 2kau h PHE 14 Cb 0.18 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.02 2kau h PHE 14 CO -0.01 -0.16 0.45 1.15 -2.23 0.00 0.00 178.31 177.51 2kau h THR 15 N -0.10 1.25 -0.80 4.41 2.02 -1.20 -1.46 112.91 117.03 2kau h THR 15 Ca 0.10 -0.62 0.01 0.00 0.77 0.00 0.00 66.41 66.67 2kau h THR 15 Cb 0.24 0.13 -0.04 0.00 -1.74 0.00 0.00 68.15 66.75 2kau h THR 15 CO -0.23 0.28 0.53 0.00 0.37 0.00 0.00 175.52 176.47 2kau h ALA 16 N 1.24 1.44 -0.01 6.16 0.00 -0.82 -1.33 119.26 125.93 2kau h ALA 16 Ca 0.29 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 2kau h ALA 16 Cb 0.04 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 2kau h ALA 16 CO -0.05 0.52 -0.52 0.00 0.00 0.00 0.00 179.25 179.21 2kau h ALA 17 N 1.50 1.13 -0.72 0.00 0.00 -0.47 -2.79 119.26 117.90 2kau h ALA 17 Ca 0.29 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 2kau h ALA 17 Cb -0.12 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2kau h ALA 17 CO -0.07 0.65 0.22 -0.07 0.00 0.00 0.00 179.25 179.99 2kau h LEU 18 N 0.02 1.04 0.46 0.00 3.38 -0.24 -0.08 115.31 119.89 2kau h LEU 18 Ca -0.00 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 2kau h LEU 18 Cb 0.93 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 2kau h LEU 18 CO 0.07 0.97 -0.32 0.58 0.09 0.00 0.00 178.44 179.83 2kau h VAL 19 N 1.07 0.33 -0.70 1.22 2.07 -1.24 -2.43 116.25 116.57 2kau h VAL 19 Ca 0.23 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.80 2kau h VAL 19 Cb 0.30 0.33 -0.05 0.00 -1.52 0.00 0.00 31.29 30.36 2kau h VAL 19 CO -0.01 0.00 0.42 0.00 0.02 0.00 0.00 177.57 178.00 2kau h ALA 20 N -0.32 0.94 -0.56 1.67 0.00 -1.33 -2.52 119.26 117.13 2kau h ALA 20 Ca -0.05 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.94 2kau h ALA 20 Cb 0.64 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 2kau h ALA 20 CO 0.02 0.14 0.21 1.49 0.00 0.00 0.00 179.25 181.11 2kau h GLU 21 N 0.78 0.38 -0.34 0.00 4.81 -0.85 -0.01 114.58 119.34 2kau h GLU 21 Ca 0.30 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.39 2kau h GLU 21 Cb 0.12 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 2kau h GLU 21 CO -0.15 0.25 -0.28 0.00 -0.73 0.00 0.00 179.01 178.10 2kau h ARG 22 N 0.39 0.71 -0.46 1.92 3.08 -1.08 -2.38 114.38 116.57 2kau h ARG 22 Ca 0.28 -0.31 -0.12 0.00 0.07 0.00 0.00 59.98 59.90 2kau h ARG 22 Cb 0.32 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 2kau h ARG 22 CO -0.28 0.91 -0.19 0.00 -1.07 0.00 0.00 179.97 179.34 2kau h ARG 23 N 0.61 0.95 -0.68 0.04 3.08 -0.98 -1.94 114.38 115.47 2kau h ARG 23 Ca 0.08 -0.40 -0.04 0.00 0.07 0.00 0.00 59.98 59.68 2kau h ARG 23 Cb 0.78 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.77 2kau h ARG 23 CO 0.06 1.07 0.25 1.25 -1.07 0.00 0.00 179.97 181.53 2kau h LEU 24 N 0.79 0.93 -1.03 3.04 5.85 -0.97 -2.05 115.31 121.87 2kau h LEU 24 Ca 0.11 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 2kau h LEU 24 Cb 0.77 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 2kau h LEU 24 CO 0.06 0.84 0.24 0.00 -0.34 0.00 0.00 178.44 179.25 2kau h ALA 25 N 1.29 1.23 0.00 1.25 0.00 -1.13 -0.21 119.26 121.68 2kau h ALA 25 Ca 0.23 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2kau h ALA 25 Cb 0.22 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2kau h ALA 25 CO -0.02 0.56 0.00 0.00 0.00 0.00 0.00 179.25 179.79 2kau h ARG 26 N 0.92 0.00 0.00 0.00 3.08 -0.67 -3.46 114.38 114.25 2kau h ARG 26 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 2kau h ARG 26 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 2kau h ARG 26 CO -0.02 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.29 2kau n GLY 27 N -0.28 0.92 3.88 0.04 0.00 -0.09 -5.09 105.19 104.57 2kau n GLY 27 Ca 0.01 -0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 2kau n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kau s LEU 28 N 0.00 3.73 -0.22 0.99 1.43 -0.92 -5.02 118.68 118.66 2kau s LEU 28 Ca 0.00 1.11 -0.23 0.00 -1.03 0.00 0.00 54.13 53.98 2kau s LEU 28 Cb 0.00 -4.02 -0.01 0.00 0.03 0.00 0.00 46.19 42.19 2kau s LEU 28 CO 0.00 -0.48 0.75 -0.54 0.23 0.00 0.00 176.35 176.31 2kau s LYS 29 N -4.18 4.19 0.53 1.70 1.02 -1.26 -4.56 119.74 117.18 2kau s LYS 29 Ca 0.51 0.81 -0.20 0.00 0.02 0.00 0.00 55.97 57.11 2kau s LYS 29 Cb -0.10 -3.62 -0.06 0.00 -0.52 0.00 0.00 37.83 33.53 2kau s LYS 29 CO 0.36 -0.41 1.15 -0.51 -0.92 0.00 0.00 175.35 175.02 2kau s LEU 30 N 2.49 3.79 0.00 3.17 1.43 -0.19 -4.43 118.68 124.94 2kau s LEU 30 Ca 0.32 2.25 0.00 0.00 -1.03 0.00 0.00 54.13 55.67 2kau s LEU 30 Cb -0.16 -4.51 0.00 0.00 0.03 0.00 0.00 46.19 41.55 2kau s LEU 30 CO 0.09 -1.22 0.00 -0.46 0.23 0.00 0.00 176.35 174.99 2kau n ASN 31 N -1.17 0.00 0.32 2.29 0.23 -1.26 -0.70 115.26 114.97 2kau n ASN 31 Ca 0.11 -0.60 -0.13 0.00 -0.53 0.00 0.00 54.58 53.44 2kau n ASN 31 Cb 0.50 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.14 2kau n ASN 31 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 2kau h TYR 32 N -0.16 -0.77 -0.86 -2.53 3.20 -1.96 -2.36 116.97 111.53 2kau h TYR 32 Ca 0.00 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.91 2kau h TYR 32 Cb 0.00 0.26 -0.05 0.00 1.54 0.00 0.00 36.73 38.47 2kau h TYR 32 CO 0.00 -0.48 0.56 -1.00 -1.64 0.00 0.00 178.16 175.60 2kau h PRO 33 N -0.95 0.96 -0.59 1.82 0.13 -2.00 -2.18 132.00 129.20 2kau h PRO 33 Ca -0.09 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 64.96 2kau h PRO 33 Cb 0.64 -0.22 -0.03 0.00 0.13 0.00 0.00 31.00 31.53 2kau h PRO 33 CO 0.14 0.64 0.26 0.93 -0.23 0.00 0.00 178.00 179.73 2kau h GLU 34 N 0.99 0.86 -0.25 0.86 5.08 -1.92 -1.46 114.58 118.73 2kau h GLU 34 Ca 0.36 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 2kau h GLU 34 Cb 0.16 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2kau h GLU 34 CO -0.13 0.72 0.11 0.77 -1.00 0.00 0.00 179.01 179.48 2kau h SER 35 N 0.80 0.34 -0.41 1.42 0.02 -0.94 -0.94 113.55 113.84 2kau h SER 35 Ca 0.20 -0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2kau h SER 35 Cb 0.16 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 2kau h SER 35 CO -0.02 0.40 0.25 0.58 -1.14 0.00 0.00 176.83 176.90 2kau h VAL 36 N 0.25 1.13 -0.34 2.27 2.07 -1.27 -2.34 116.25 118.03 2kau h VAL 36 Ca 0.08 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 2kau h VAL 36 Cb 0.16 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 2kau h VAL 36 CO -0.01 0.13 0.15 0.00 0.02 0.00 0.00 177.57 177.86 2kau h ALA 37 N 1.12 0.44 0.02 1.67 0.00 -1.19 -1.51 119.26 119.80 2kau h ALA 37 Ca 0.15 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2kau h ALA 37 Cb -0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2kau h ALA 37 CO -0.03 0.02 -0.04 1.25 0.00 0.00 0.00 179.25 180.45 2kau h LEU 38 N 0.40 -0.11 -0.47 0.00 5.85 -0.99 -1.14 115.31 118.84 2kau h LEU 38 Ca 0.11 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 2kau h LEU 38 Cb 0.15 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 2kau h LEU 38 CO -0.01 -0.06 0.03 0.40 -0.34 0.00 0.00 178.44 178.45 2kau h ILE 39 N -0.08 1.26 -0.39 4.05 2.04 -1.44 -2.66 117.51 120.29 2kau h ILE 39 Ca 0.01 -1.02 0.02 0.00 1.00 0.00 0.00 64.86 64.87 2kau h ILE 39 Cb 0.10 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 2kau h ILE 39 CO -0.03 0.35 0.22 0.28 0.00 0.00 0.00 178.15 178.98 2kau h SER 40 N 0.68 0.36 -0.51 1.72 0.02 -1.13 -2.23 113.55 112.45 2kau h SER 40 Ca 0.14 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 2kau h SER 40 Cb 0.47 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 2kau h SER 40 CO 0.02 0.26 0.22 0.00 -1.14 0.00 0.00 176.83 176.19 2kau h ALA 41 N 1.18 1.35 -0.64 3.77 0.00 -1.17 -2.19 119.26 121.56 2kau h ALA 41 Ca 0.15 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2kau h ALA 41 Cb 0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 2kau h ALA 41 CO -0.08 0.49 0.41 0.35 0.00 0.00 0.00 179.25 180.42 2kau h PHE 42 N 0.79 0.81 -0.66 0.00 3.57 -1.05 -2.27 116.94 118.13 2kau h PHE 42 Ca 0.19 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.64 2kau h PHE 42 Cb 0.15 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.59 2kau h PHE 42 CO 0.01 0.52 0.16 0.82 -2.23 0.00 0.00 178.31 177.59 2kau h ILE 43 N 0.86 1.26 -0.91 1.41 2.04 -0.88 -1.40 117.51 119.89 2kau h ILE 43 Ca 0.23 -0.94 -0.02 0.00 1.00 0.00 0.00 64.86 65.13 2kau h ILE 43 Cb -0.08 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 36.56 2kau h ILE 43 CO -0.05 0.36 0.50 0.24 0.00 0.00 0.00 178.15 179.20 2kau h MET 44 N 0.99 1.27 -0.09 2.37 2.86 -1.05 -0.98 114.93 120.28 2kau h MET 44 Ca 0.21 -0.15 -0.13 0.00 -2.06 0.00 0.00 59.70 57.57 2kau h MET 44 Cb 0.36 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 2kau h MET 44 CO 0.00 0.92 -0.50 0.93 1.06 0.00 0.00 176.91 179.33 2kau h GLU 45 N 1.27 0.25 -0.48 1.72 4.39 -1.20 -1.93 114.58 118.60 2kau h GLU 45 Ca 0.32 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.88 2kau h GLU 45 Cb 0.03 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 2kau h GLU 45 CO -0.05 0.69 0.31 0.78 -1.16 0.00 0.00 179.01 179.58 2kau h GLY 46 N 1.34 0.68 1.01 -3.84 0.00 -0.12 -0.99 103.07 101.16 2kau h GLY 46 Ca 0.01 -0.27 -0.06 0.00 0.00 0.00 0.00 47.33 47.01 2kau h GLY 46 CO 0.08 0.26 0.12 0.00 0.00 0.00 0.00 176.54 176.99 2kau h ALA 47 N 1.16 0.76 -0.74 3.60 0.00 -0.97 -1.95 119.26 121.11 2kau h ALA 47 Ca 0.17 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.90 2kau h ALA 47 Cb -0.05 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 2kau h ALA 47 CO -0.04 0.48 0.49 -0.09 0.00 0.00 0.00 179.25 180.10 2kau h ARG 48 N 0.83 0.80 0.00 0.00 9.65 -0.79 0.21 114.38 125.08 2kau h ARG 48 Ca 0.18 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 59.00 2kau h ARG 48 Cb 0.38 -0.18 -0.00 0.00 -1.39 0.00 0.00 29.97 28.78 2kau h ARG 48 CO 0.01 0.53 -0.02 -0.44 2.80 0.00 0.00 179.97 182.85 2kau h ASP 49 N 0.83 0.00 0.00 -3.80 3.32 -0.75 -3.47 116.42 112.55 2kau h ASP 49 Ca 0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 2kau h ASP 49 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 2kau h ASP 49 CO -0.10 0.02 0.00 0.61 -1.72 0.00 0.00 179.24 178.05 2kau n GLY 50 N 0.22 0.95 3.80 2.75 0.00 0.06 -5.08 105.19 107.89 2kau n GLY 50 Ca 0.01 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 2kau n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kau s LYS 51 N -0.25 3.37 0.63 1.61 1.02 -0.78 -4.95 119.74 120.40 2kau s LYS 51 Ca 0.00 1.28 -0.11 0.00 0.02 0.00 0.00 55.97 57.15 2kau s LYS 51 Cb 0.00 -2.04 -0.03 0.00 -0.52 0.00 0.00 37.83 35.24 2kau s LYS 51 CO 0.00 -0.77 1.04 -1.54 -0.92 0.00 0.00 175.35 173.15 2kau s SER 52 N -2.54 6.04 0.19 2.83 1.04 -1.26 -4.64 113.70 115.36 2kau s SER 52 Ca 0.65 1.48 -0.12 0.00 0.48 0.00 0.00 55.95 58.44 2kau s SER 52 Cb -0.17 -2.48 0.12 0.00 0.10 0.00 0.00 66.02 63.59 2kau s SER 52 CO 0.33 -1.00 1.86 0.58 0.98 0.00 0.00 173.24 175.99 2kau h VAL 53 N -0.34 1.15 -0.36 5.02 2.07 -1.96 -2.17 116.25 119.66 2kau h VAL 53 Ca -0.44 -0.29 0.05 0.00 0.82 0.00 0.00 66.70 66.83 2kau h VAL 53 Cb 1.19 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 2kau h VAL 53 CO 0.61 0.16 0.12 0.00 0.02 0.00 0.00 177.57 178.47 2kau h ALA 54 N 1.24 0.42 -0.38 1.67 0.00 -1.98 -1.19 119.26 119.05 2kau h ALA 54 Ca 0.24 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 2kau h ALA 54 Cb -0.08 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2kau h ALA 54 CO -0.06 -0.28 0.22 0.77 0.00 0.00 0.00 179.25 179.90 2kau h SER 55 N 0.26 0.46 -0.52 0.00 0.02 -1.87 -3.02 113.55 108.88 2kau h SER 55 Ca 0.17 -0.07 -0.07 0.00 -0.84 0.00 0.00 61.79 60.98 2kau h SER 55 Cb 0.16 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 2kau h SER 55 CO -0.18 0.40 0.08 -0.07 -1.14 0.00 0.00 176.83 175.91 2kau h LEU 56 N 0.49 0.87 -2.18 5.07 3.38 -0.97 -0.34 115.31 121.62 2kau h LEU 56 Ca 0.13 -0.19 0.06 0.00 0.09 0.00 0.00 57.88 57.97 2kau h LEU 56 Cb 0.03 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 2kau h LEU 56 CO -0.02 0.88 0.18 0.24 0.09 0.00 0.00 178.44 179.81 2kau h MET 57 N 0.86 0.00 0.00 1.13 2.86 -1.10 0.43 114.93 119.11 2kau h MET 57 Ca 0.18 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.77 2kau h MET 57 Cb 0.40 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 2kau h MET 57 CO 0.01 0.00 -0.56 1.49 1.06 0.00 0.00 176.91 178.91 2kau h GLU 58 N 0.00 0.00 -0.69 1.72 4.57 -1.39 -3.39 114.58 115.40 2kau h GLU 58 Ca 0.09 0.00 0.16 0.00 -1.18 0.00 0.00 59.36 58.43 2kau h GLU 58 Cb 0.45 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.00 2kau h GLU 58 CO -0.00 0.22 0.47 0.93 -1.18 0.00 0.00 179.01 179.45 2kau h GLU 59 N -1.00 0.25 0.00 1.92 5.08 -0.88 -0.88 114.58 119.06 2kau h GLU 59 Ca -0.07 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2kau h GLU 59 Cb 0.61 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 2kau h GLU 59 CO -0.04 0.16 -0.01 0.78 -1.00 0.00 0.00 179.01 178.91 2kau h GLY 60 N 0.26 0.00 0.03 -3.84 0.00 -1.11 -1.57 103.07 96.84 2kau h GLY 60 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 2kau h GLY 60 CO -0.07 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.01 2kau n ARG 61 N -3.22 1.36 -0.47 4.80 1.74 -0.34 -3.75 116.66 116.78 2kau n ARG 61 Ca -0.03 -0.53 0.07 0.00 -0.77 0.00 0.00 57.85 56.59 2kau n ARG 61 Cb 0.11 -1.41 0.15 0.00 -1.02 0.00 0.00 32.46 30.29 2kau n ARG 61 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2kau n HIS 62 N -0.30 0.00 -0.05 -1.55 8.25 -0.59 -4.68 115.22 116.30 2kau n HIS 62 Ca 0.18 -1.12 -0.21 0.00 -0.26 0.00 0.00 57.72 56.31 2kau n HIS 62 Cb 0.22 -0.19 -0.13 0.00 1.12 0.00 0.00 29.99 31.01 2kau n HIS 62 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2kau h VAL 63 N 1.57 1.06 -4.07 1.59 2.07 -1.69 -3.47 116.25 113.32 2kau h VAL 63 Ca -0.02 -2.30 -0.44 0.00 0.82 0.00 0.00 66.70 64.75 2kau h VAL 63 Cb 1.11 2.60 -0.26 0.00 -1.52 0.00 0.00 31.29 33.22 2kau h VAL 63 CO 0.01 0.55 -0.79 -0.76 0.02 0.00 0.00 177.57 176.60 2kau s LEU 64 N -7.73 2.13 0.40 2.57 1.43 -1.26 -5.10 118.68 111.12 2kau s LEU 64 Ca -0.23 -0.39 0.08 0.00 -1.03 0.00 0.00 54.13 52.55 2kau s LEU 64 Cb 0.04 -0.60 -0.04 0.00 0.03 0.00 0.00 46.19 45.62 2kau s LEU 64 CO 0.69 0.06 0.24 0.42 0.23 0.00 0.00 176.35 177.99 2kau s THR 65 N -0.70 2.63 0.55 5.49 -4.23 -1.26 -4.31 115.64 113.81 2kau s THR 65 Ca 0.02 -1.56 0.25 0.00 -1.18 0.00 0.00 61.69 59.22 2kau s THR 65 Cb -0.07 -3.00 0.35 0.00 1.34 0.00 0.00 72.50 71.12 2kau s THR 65 CO 0.01 -0.05 2.08 -0.09 -0.54 0.00 0.00 174.62 176.03 2kau h ARG 66 N 1.31 0.00 -0.00 3.99 2.43 -1.88 -0.88 114.38 119.35 2kau h ARG 66 Ca -0.43 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 2kau h ARG 66 Cb 1.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 2kau h ARG 66 CO 0.64 0.00 -0.08 -0.85 -1.51 0.00 0.00 179.97 178.16 2kau n GLU 67 N -4.16 0.60 0.00 0.20 0.00 -1.26 -3.43 120.64 112.59 2kau n GLU 67 Ca 0.03 -0.16 0.11 0.00 0.00 0.00 0.00 57.16 57.14 2kau n GLU 67 Cb 0.37 -1.50 0.04 0.00 0.00 0.00 0.00 31.44 30.35 2kau n GLU 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 2kau n GLN 68 N -1.06 1.65 -4.39 3.44 6.02 -0.34 -4.96 117.38 117.75 2kau n GLN 68 Ca 0.14 -1.33 -0.20 0.00 -0.01 0.00 0.00 57.00 55.61 2kau n GLN 68 Cb 0.27 -1.44 -0.10 0.00 1.02 0.00 0.00 30.24 29.98 2kau n GLN 68 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 2kau s VAL 69 N -2.19 1.69 0.78 5.09 -7.23 -1.22 -1.02 120.40 116.31 2kau s VAL 69 Ca 0.21 -2.17 -0.12 0.00 -1.81 0.00 0.00 61.98 58.09 2kau s VAL 69 Cb 0.18 -2.24 0.07 0.00 0.56 0.00 0.00 36.38 34.94 2kau s VAL 69 CO 0.44 -0.45 1.12 -0.04 -0.31 0.00 0.00 175.10 175.87 2kau s MET 70 N -3.69 2.01 0.29 4.82 -1.94 0.12 -4.77 119.30 116.15 2kau s MET 70 Ca 0.26 1.39 -0.30 0.00 -1.71 0.00 0.00 55.69 55.33 2kau s MET 70 Cb 0.01 -1.85 -0.12 0.00 2.01 0.00 0.00 34.83 34.88 2kau s MET 70 CO 0.09 -1.86 1.51 -1.91 -0.01 0.00 0.00 175.02 172.85 2kau n GLU 71 N -3.41 2.49 0.00 2.03 2.13 -1.26 -2.19 120.64 120.44 2kau n GLU 71 Ca 0.11 0.88 0.00 0.00 0.66 0.00 0.00 57.16 58.81 2kau n GLU 71 Cb 0.52 -2.61 0.00 0.00 0.27 0.00 0.00 31.44 29.62 2kau n GLU 71 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kau n GLY 72 N 1.85 2.89 0.20 8.31 0.00 -1.26 -4.91 105.19 112.26 2kau n GLY 72 Ca 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.02 2kau n GLY 72 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2kau h VAL 73 N 0.00 1.16 -0.55 1.61 2.07 -1.80 -2.30 116.25 116.43 2kau h VAL 73 Ca 0.00 -0.39 0.04 0.00 0.82 0.00 0.00 66.70 67.17 2kau h VAL 73 Cb 0.00 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 2kau h VAL 73 CO 0.00 0.16 0.37 -0.65 0.02 0.00 0.00 177.57 177.47 2kau h PRO 74 N 0.58 0.60 0.00 1.57 0.11 -1.89 -1.01 132.00 131.95 2kau h PRO 74 Ca 0.16 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.20 2kau h PRO 74 Cb 0.04 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.01 2kau h PRO 74 CO -0.03 0.39 -0.13 0.93 -0.21 0.00 0.00 178.00 178.96 2kau h GLU 75 N 0.61 0.00 -0.00 1.05 3.07 -1.85 -2.86 114.58 114.61 2kau h GLU 75 Ca 0.22 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.08 2kau h GLU 75 Cb 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.04 2kau h GLU 75 CO -0.06 0.13 -0.15 -1.33 -1.40 0.00 0.00 179.01 176.21 2kau n MET 76 N -3.20 0.46 -3.57 2.33 2.81 -0.40 -4.40 117.12 111.16 2kau n MET 76 Ca 0.02 -0.15 -0.27 0.00 -1.81 0.00 0.00 57.70 55.48 2kau n MET 76 Cb 0.47 -1.50 -0.10 0.00 -0.71 0.00 0.00 33.22 31.38 2kau n MET 76 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 2kau n ILE 77 N -1.14 0.83 0.28 2.02 5.41 -1.08 -4.92 119.36 120.76 2kau n ILE 77 Ca 0.12 -4.50 0.15 0.00 1.00 0.00 0.00 62.75 59.52 2kau n ILE 77 Cb 0.30 -2.01 0.79 0.00 -0.71 0.00 0.00 39.64 38.00 2kau n ILE 77 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 2kau h PRO 78 N 4.95 0.00 -2.34 0.38 0.13 -1.77 -3.39 132.00 129.96 2kau h PRO 78 Ca 0.18 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 65.45 2kau h PRO 78 Cb 0.78 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.80 2kau h PRO 78 CO 0.63 0.08 0.48 0.16 -0.23 0.00 0.00 178.00 179.12 2kau s ASP 79 N -5.89 -0.26 -0.01 1.44 1.47 -1.26 -0.19 116.67 111.96 2kau s ASP 79 Ca -0.02 -0.24 0.01 0.00 1.18 0.00 0.00 52.55 53.48 2kau s ASP 79 Cb 0.12 0.45 0.01 0.00 -0.34 0.00 0.00 42.92 43.16 2kau s ASP 79 CO 0.55 -0.80 -0.04 -0.63 0.68 0.00 0.00 175.17 174.94 2kau s ILE 80 N -3.24 0.36 -0.00 2.11 1.01 -0.17 -4.96 121.20 116.32 2kau s ILE 80 Ca 0.09 -0.14 0.04 0.00 0.00 0.00 0.00 60.65 60.64 2kau s ILE 80 Cb -0.01 -0.35 -0.01 0.00 0.01 0.00 0.00 42.46 42.10 2kau s ILE 80 CO -0.03 0.13 -0.13 -1.10 0.00 0.00 0.00 174.94 173.82 2kau s GLN 81 N 0.26 1.00 -0.15 2.79 -0.21 -1.26 -0.52 119.66 121.58 2kau s GLN 81 Ca -0.03 -0.48 -0.28 0.00 0.02 0.00 0.00 55.36 54.59 2kau s GLN 81 Cb -0.06 -0.97 0.07 0.00 1.00 0.00 0.00 33.01 33.05 2kau s GLN 81 CO -0.00 0.26 0.71 0.54 -2.12 0.00 0.00 175.29 174.68 2kau s VAL 82 N -0.35 0.00 0.17 1.09 0.11 -0.90 -5.01 120.40 115.51 2kau s VAL 82 Ca 0.04 0.00 0.09 0.00 -2.93 0.00 0.00 61.98 59.18 2kau s VAL 82 Cb -0.05 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.76 2kau s VAL 82 CO -0.00 0.00 -0.09 -1.61 -3.33 0.00 0.00 175.10 170.07 2kau s GLU 83 N -0.51 2.10 0.24 1.54 2.02 -1.26 -1.60 118.70 121.23 2kau s GLU 83 Ca -0.06 -1.23 -0.22 0.00 0.02 0.00 0.00 54.97 53.48 2kau s GLU 83 Cb -0.02 -2.19 0.04 0.00 0.10 0.00 0.00 34.13 32.05 2kau s GLU 83 CO 0.06 0.44 0.70 0.00 0.02 0.00 0.00 175.26 176.48 2kau s ALA 84 N -1.66 -1.34 -0.52 5.21 0.00 -1.17 -4.96 121.76 117.33 2kau s ALA 84 Ca 0.25 -0.08 -0.24 0.00 0.00 0.00 0.00 51.96 51.89 2kau s ALA 84 Cb -0.09 0.85 0.04 0.00 0.00 0.00 0.00 23.12 23.92 2kau s ALA 84 CO 0.15 -0.97 0.88 0.99 0.00 0.00 0.00 175.76 176.82 2kau s THR 85 N -3.84 4.49 0.76 0.00 2.01 -1.26 -2.48 115.64 115.31 2kau s THR 85 Ca 0.08 0.27 -0.07 0.00 0.31 0.00 0.00 61.69 62.28 2kau s THR 85 Cb -0.05 -4.47 0.10 0.00 0.01 0.00 0.00 72.50 68.10 2kau s THR 85 CO 0.02 -0.99 1.07 -0.36 -0.69 0.00 0.00 174.62 173.67 2kau s PHE 86 N 3.68 2.41 0.57 4.92 0.08 -0.07 -4.33 117.98 125.24 2kau s PHE 86 Ca 0.29 0.28 0.26 0.00 0.12 0.00 0.00 56.93 57.88 2kau s PHE 86 Cb -0.13 -3.34 1.64 0.00 -0.57 0.00 0.00 43.02 40.62 2kau s PHE 86 CO 0.20 -1.71 2.20 -1.35 -0.10 0.00 0.00 175.22 174.46 2kau h PRO 87 N -0.79 0.00 -0.93 0.24 0.11 -1.93 -1.15 132.00 127.56 2kau h PRO 87 Ca -0.43 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.15 2kau h PRO 87 Cb 1.29 0.00 -0.29 0.00 0.11 0.00 0.00 31.00 32.11 2kau h PRO 87 CO 0.52 0.00 0.61 -0.40 -0.21 0.00 0.00 178.00 178.52 2kau n ASP 88 N -4.06 4.74 0.00 -2.05 3.85 -1.26 -5.06 116.55 112.71 2kau n ASP 88 Ca -0.02 -3.68 0.00 0.00 -0.71 0.00 0.00 54.79 50.38 2kau n ASP 88 Cb 0.12 -0.85 0.00 0.00 -1.35 0.00 0.00 41.12 39.05 2kau n ASP 88 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2kau n GLY 89 N -1.07 -2.76 3.75 6.12 0.00 -0.43 -4.94 105.19 105.85 2kau n GLY 89 Ca 0.58 -1.83 -0.41 0.00 0.00 0.00 0.00 46.02 44.36 2kau n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kau s SER 90 N -2.26 6.78 0.03 1.61 0.01 -1.26 -0.89 113.70 117.72 2kau s SER 90 Ca 0.00 2.58 -0.04 0.00 1.31 0.00 0.00 55.95 59.80 2kau s SER 90 Cb 0.00 -2.63 -0.02 0.00 0.21 0.00 0.00 66.02 63.59 2kau s SER 90 CO 0.00 -0.58 0.05 -0.54 0.41 0.00 0.00 173.24 172.58 2kau s LYS 91 N -0.70 0.53 -0.19 12.44 -0.14 -1.03 -4.92 119.74 125.73 2kau s LYS 91 Ca 0.55 -0.77 -0.09 0.00 -1.36 0.00 0.00 55.97 54.30 2kau s LYS 91 Cb -0.39 0.20 -0.05 0.00 -1.68 0.00 0.00 37.83 35.91 2kau s LYS 91 CO 0.44 -0.12 0.11 -1.17 -0.76 0.00 0.00 175.35 173.85 2kau s LEU 92 N -2.06 4.10 -0.17 3.17 2.96 -1.26 -3.02 118.68 122.40 2kau s LEU 92 Ca -0.06 0.21 -0.01 0.00 -0.22 0.00 0.00 54.13 54.05 2kau s LEU 92 Cb -0.02 -2.05 -0.00 0.00 0.50 0.00 0.00 46.19 44.62 2kau s LEU 92 CO -0.04 0.20 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.37 2kau s VAL 93 N 0.21 2.82 -0.18 1.68 1.01 -0.63 -5.00 120.40 120.32 2kau s VAL 93 Ca 0.07 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.33 2kau s VAL 93 Cb -0.11 -2.21 -0.00 0.00 0.00 0.00 0.00 36.38 34.05 2kau s VAL 93 CO -0.01 0.50 -0.12 -0.89 0.00 0.00 0.00 175.10 174.58 2kau s THR 94 N 0.91 2.83 -0.31 3.92 2.01 -1.26 -2.13 115.64 121.61 2kau s THR 94 Ca -0.03 -0.69 -0.06 0.00 0.31 0.00 0.00 61.69 61.22 2kau s THR 94 Cb -0.15 -2.23 0.02 0.00 0.01 0.00 0.00 72.50 70.15 2kau s THR 94 CO -0.01 0.49 0.07 -0.69 -0.69 0.00 0.00 174.62 173.79 2kau s VAL 95 N 1.14 3.75 0.19 3.82 1.01 0.33 -4.73 120.40 125.92 2kau s VAL 95 Ca 0.01 -0.93 -0.22 0.00 0.00 0.00 0.00 61.98 60.84 2kau s VAL 95 Cb -0.14 -3.02 -0.08 0.00 0.00 0.00 0.00 36.38 33.14 2kau s VAL 95 CO -0.04 -0.02 0.75 -1.00 0.00 0.00 0.00 175.10 174.79 2kau s HIS 96 N 1.44 3.77 -1.01 5.22 3.76 -1.26 -1.00 115.29 126.20 2kau s HIS 96 Ca 0.00 1.51 -0.27 0.00 -0.15 0.00 0.00 55.06 56.15 2kau s HIS 96 Cb -0.18 -2.69 0.04 0.00 1.11 0.00 0.00 32.58 30.86 2kau s HIS 96 CO 0.02 0.42 0.58 0.09 -0.85 0.00 0.00 174.74 175.00 2kau n ASN 97 N 1.15 -3.65 0.09 1.40 3.02 0.73 -4.82 115.26 113.18 2kau n ASN 97 Ca -0.04 -1.11 0.09 0.00 -0.03 0.00 0.00 54.58 53.50 2kau n ASN 97 Cb 0.50 -1.38 0.56 0.00 -0.61 0.00 0.00 39.78 38.86 2kau n ASN 97 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2kau h PRO 98 N -1.67 0.22 -4.79 3.52 0.13 -1.76 -3.40 132.00 124.25 2kau h PRO 98 Ca -0.62 -0.01 -0.68 0.00 -0.87 0.00 0.00 66.00 63.82 2kau h PRO 98 Cb 1.23 -0.05 -0.27 0.00 0.13 0.00 0.00 31.00 32.04 2kau h PRO 98 CO 0.43 0.15 -0.62 0.42 -0.23 0.00 0.00 178.00 178.15 2kau s ILE 99 N -5.24 3.92 -1.23 -3.56 1.01 -1.26 -4.40 121.20 110.44 2kau s ILE 99 Ca -0.06 -0.76 0.10 0.00 0.00 0.00 0.00 60.65 59.92 2kau s ILE 99 Cb 0.18 -3.05 0.08 0.00 0.01 0.00 0.00 42.46 39.68 2kau s ILE 99 CO 0.71 0.04 0.81 -0.38 0.00 0.00 0.00 174.94 176.13