#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ka6 n PRO 2 N 0.00 0.00 0.25 1.43 -0.04 -1.26 -3.65 135.00 131.73 2ka6 n PRO 2 Ca 0.00 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.57 2ka6 n PRO 2 Cb 0.00 -0.55 0.64 0.00 -0.04 0.00 0.00 33.50 33.55 2ka6 n PRO 2 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2ka6 h GLN 3 N 0.00 0.00 -1.00 0.54 4.20 -2.06 -3.02 115.11 113.76 2ka6 h GLN 3 Ca 0.00 0.00 0.24 0.00 0.06 0.00 0.00 58.65 58.95 2ka6 h GLN 3 Cb 0.00 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 27.69 2ka6 h GLN 3 CO 0.00 0.17 0.64 0.93 -0.67 0.00 0.00 178.83 179.90 2ka6 h GLU 4 N 0.00 0.46 -0.66 1.46 3.07 -1.99 -1.41 114.58 115.52 2ka6 h GLU 4 Ca -0.00 -0.03 0.11 0.00 -0.50 0.00 0.00 59.36 58.94 2ka6 h GLU 4 Cb 0.43 -0.10 -0.08 0.00 -0.84 0.00 0.00 28.75 28.15 2ka6 h GLU 4 CO 0.02 0.31 0.25 0.66 -1.40 0.00 0.00 179.01 178.85 2ka6 h SER 5 N 0.48 0.23 -0.03 1.42 4.64 -1.60 0.50 113.55 119.19 2ka6 h SER 5 Ca 0.57 0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 61.96 2ka6 h SER 5 Cb 1.31 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 2ka6 h SER 5 CO -0.30 0.12 -0.08 0.03 -0.87 0.00 0.00 176.83 175.74 2ka6 h ARG 6 N 0.42 0.11 -0.24 4.77 3.08 -1.51 -2.84 114.38 118.17 2ka6 h ARG 6 Ca 0.34 -0.07 0.06 0.00 0.07 0.00 0.00 59.98 60.38 2ka6 h ARG 6 Cb 0.46 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.47 2ka6 h ARG 6 CO -0.34 0.67 -0.13 0.00 -1.07 0.00 0.00 179.97 179.10 2ka6 h ARG 7 N -0.43 -0.10 -0.74 0.04 3.08 -1.00 -0.34 114.38 114.90 2ka6 h ARG 7 Ca 0.00 0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 2ka6 h ARG 7 Cb 0.67 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.71 2ka6 h ARG 7 CO 0.02 -0.06 0.25 -0.07 -1.07 0.00 0.00 179.97 179.03 2ka6 h LEU 8 N -0.10 1.07 -0.66 3.04 4.07 -1.03 -2.08 115.31 119.61 2ka6 h LEU 8 Ca 0.13 -0.20 -0.05 0.00 0.08 0.00 0.00 57.88 57.84 2ka6 h LEU 8 Cb 0.30 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 41.73 2ka6 h LEU 8 CO -0.30 0.98 0.23 0.28 -1.08 0.00 0.00 178.44 178.55 2ka6 h SER 9 N 1.09 0.94 -0.82 -0.43 0.02 -1.16 -2.47 113.55 110.72 2ka6 h SER 9 Ca 0.24 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2ka6 h SER 9 Cb 0.29 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.54 2ka6 h SER 9 CO -0.01 0.88 0.53 0.40 -1.14 0.00 0.00 176.83 177.49 2ka6 h ILE 10 N 0.95 1.22 -0.83 3.27 2.04 -0.83 -2.15 117.51 121.18 2ka6 h ILE 10 Ca 0.22 -0.42 0.02 0.00 1.00 0.00 0.00 64.86 65.67 2ka6 h ILE 10 Cb 0.26 0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 36.32 2ka6 h ILE 10 CO -0.01 0.22 0.55 1.56 0.00 0.00 0.00 178.15 180.46 2ka6 h GLN 11 N 1.12 1.06 -0.72 2.37 1.08 -1.05 -0.21 115.11 118.76 2ka6 h GLN 11 Ca 0.30 -0.06 -0.05 0.00 -1.45 0.00 0.00 58.65 57.39 2ka6 h GLN 11 Cb -0.10 -0.24 -0.03 0.00 -0.05 0.00 0.00 27.48 27.06 2ka6 h GLN 11 CO -0.06 0.70 0.27 0.00 -0.95 0.00 0.00 178.83 178.79 2ka6 h ARG 12 N 1.10 1.10 -0.62 1.46 2.47 -0.96 -1.24 114.38 117.68 2ka6 h ARG 12 Ca 0.31 -0.21 -0.08 0.00 -1.26 0.00 0.00 59.98 58.74 2ka6 h ARG 12 Cb -0.08 -0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 28.05 2ka6 h ARG 12 CO -0.08 0.91 0.08 0.00 0.56 0.00 0.00 179.97 181.45 2ka6 h ILE 14 N 0.96 1.02 -0.94 0.00 2.04 -0.75 -0.23 117.51 119.60 2ka6 h ILE 14 Ca 0.19 -0.08 0.01 0.00 1.00 0.00 0.00 64.86 65.97 2ka6 h ILE 14 Cb 0.46 0.75 -0.05 0.00 -0.74 0.00 0.00 36.82 37.24 2ka6 h ILE 14 CO 0.02 0.04 0.62 1.56 0.00 0.00 0.00 178.15 180.39 2ka6 h GLN 15 N 0.25 1.25 -0.54 2.37 1.08 -1.10 -0.18 115.11 118.24 2ka6 h GLN 15 Ca 0.08 -0.08 -0.04 0.00 -1.45 0.00 0.00 58.65 57.16 2ka6 h GLN 15 Cb 0.00 -0.28 -0.02 0.00 -0.05 0.00 0.00 27.48 27.13 2ka6 h GLN 15 CO -0.04 0.83 0.17 0.77 -0.95 0.00 0.00 178.83 179.60 2ka6 h SER 16 N 1.28 0.79 -0.40 1.46 0.02 -0.74 -0.28 113.55 115.68 2ka6 h SER 16 Ca 0.35 -0.21 -0.11 0.00 -0.84 0.00 0.00 61.79 60.98 2ka6 h SER 16 Cb -0.14 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.18 2ka6 h SER 16 CO -0.07 0.79 -0.16 0.25 -1.14 0.00 0.00 176.83 176.50 2ka6 h LEU 17 N 0.75 0.83 -0.56 5.07 5.85 -0.71 -1.38 115.31 125.16 2ka6 h LEU 17 Ca 0.17 -0.39 0.02 0.00 0.84 0.00 0.00 57.88 58.53 2ka6 h LEU 17 Cb 0.28 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 2ka6 h LEU 17 CO -0.00 1.04 0.35 0.58 -0.34 0.00 0.00 178.44 180.06 2ka6 h VAL 18 N 0.63 1.07 0.36 1.05 2.07 -0.91 -0.05 116.25 120.48 2ka6 h VAL 18 Ca 0.09 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 2ka6 h VAL 18 Cb 0.71 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 2ka6 h VAL 18 CO 0.05 0.13 -0.20 -0.74 0.02 0.00 0.00 177.57 176.83 2ka6 h HIS 19 N 0.69 -0.53 -0.54 1.57 -0.00 -0.96 -2.98 115.15 112.40 2ka6 h HIS 19 Ca 0.22 -0.01 0.08 0.00 -0.00 0.00 0.00 60.37 60.66 2ka6 h HIS 19 Cb 0.01 0.18 -0.03 0.00 -0.00 0.00 0.00 27.41 27.57 2ka6 h HIS 19 CO -0.06 -0.32 0.36 0.00 -0.00 0.00 0.00 177.93 177.92 2ka6 h ALA 20 N 0.10 1.97 0.00 5.26 0.00 -0.91 0.87 119.26 126.55 2ka6 h ALA 20 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2ka6 h ALA 20 Cb 0.43 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2ka6 h ALA 20 CO 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.23 2ka6 n GLN 22 N -2.22 2.28 -1.56 0.00 6.02 -0.45 -4.89 117.38 116.55 2ka6 n GLN 22 Ca 0.01 0.01 -0.34 0.00 -0.01 0.00 0.00 57.00 56.67 2ka6 n GLN 22 Cb 0.17 -1.17 0.07 0.00 1.02 0.00 0.00 30.24 30.34 2ka6 n GLN 22 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ka6 n ARG 24 N -2.62 3.91 -1.90 0.00 5.12 -1.26 -4.93 116.66 114.98 2ka6 n ARG 24 Ca 0.12 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.62 2ka6 n ARG 24 Cb 0.51 -0.68 -0.03 0.00 -1.16 0.00 0.00 32.46 31.11 2ka6 n ARG 24 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 2ka6 s ASN 25 N -1.32 6.49 0.56 0.55 0.01 -1.26 -4.90 114.94 115.07 2ka6 s ASN 25 Ca 0.00 2.25 0.26 0.00 -0.71 0.00 0.00 52.86 54.66 2ka6 s ASN 25 Cb 0.00 -2.53 1.63 0.00 0.41 0.00 0.00 41.25 40.76 2ka6 s ASN 25 CO 0.00 -1.08 2.20 0.00 -1.51 0.00 0.00 177.10 176.72 2ka6 h ALA 26 N 10.37 1.61 -1.61 0.60 0.00 -1.99 -3.23 119.26 125.01 2ka6 h ALA 26 Ca -0.41 -0.02 -0.43 0.00 0.00 0.00 0.00 54.91 54.04 2ka6 h ALA 26 Cb 1.20 -0.00 -0.39 0.00 0.00 0.00 0.00 17.79 18.59 2ka6 h ALA 26 CO 0.96 0.03 -1.16 0.09 0.00 0.00 0.00 179.25 179.17 2ka6 n ASN 27 N -4.00 0.84 -4.36 0.00 3.02 -1.26 -4.87 115.26 104.63 2ka6 n ASN 27 Ca -0.03 -2.94 -0.35 0.00 -0.03 0.00 0.00 54.58 51.23 2ka6 n ASN 27 Cb 0.11 -0.47 0.09 0.00 -0.61 0.00 0.00 39.78 38.89 2ka6 n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ka6 h SER 29 N -1.00 0.00 -3.41 0.00 4.64 -2.01 -3.43 113.55 108.34 2ka6 h SER 29 Ca -0.44 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.33 2ka6 h SER 29 Cb 1.31 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.37 2ka6 h SER 29 CO 0.36 0.01 0.26 -0.76 -0.87 0.00 0.00 176.83 175.83 2ka6 s LEU 30 N -6.27 4.37 0.25 5.97 1.43 -1.26 -4.98 118.68 118.19 2ka6 s LEU 30 Ca -0.02 1.50 -0.04 0.00 -1.03 0.00 0.00 54.13 54.54 2ka6 s LEU 30 Cb 0.11 -3.39 0.30 0.00 0.03 0.00 0.00 46.19 43.24 2ka6 s LEU 30 CO 0.50 -0.18 1.84 1.55 0.23 0.00 0.00 176.35 180.29 2ka6 h PRO 31 N 6.61 1.05 -0.17 1.29 0.13 -2.01 -3.11 132.00 135.79 2ka6 h PRO 31 Ca -0.41 -0.17 -0.12 0.00 -0.87 0.00 0.00 66.00 64.42 2ka6 h PRO 31 Cb 1.21 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2ka6 h PRO 31 CO 0.75 0.84 -0.37 0.77 -0.23 0.00 0.00 178.00 179.76 2ka6 h SER 32 N 1.04 0.63 -0.70 1.44 0.02 -1.95 -3.29 113.55 110.74 2ka6 h SER 32 Ca 0.25 -0.56 0.14 0.00 -0.84 0.00 0.00 61.79 60.78 2ka6 h SER 32 Cb 0.17 -0.18 -0.10 0.00 0.14 0.00 0.00 62.40 62.42 2ka6 h SER 32 CO -0.02 1.07 0.15 0.00 -1.14 0.00 0.00 176.83 176.89 2ka6 h GLN 34 N 0.26 0.88 0.14 0.00 4.20 -1.62 -2.09 115.11 116.88 2ka6 h GLN 34 Ca 0.38 -0.05 -0.21 0.00 0.06 0.00 0.00 58.65 58.83 2ka6 h GLN 34 Cb 0.63 -0.20 0.02 0.00 0.30 0.00 0.00 27.48 28.23 2ka6 h GLN 34 CO -0.48 0.58 -0.96 -0.22 -0.67 0.00 0.00 178.83 177.08 2ka6 h LYS 35 N 0.91 0.29 -0.98 1.46 3.64 -1.24 -3.27 116.57 117.38 2ka6 h LYS 35 Ca 0.51 -0.50 0.09 0.00 -1.27 0.00 0.00 60.65 59.47 2ka6 h LYS 35 Cb 0.59 0.19 -0.07 0.00 -0.41 0.00 0.00 32.23 32.52 2ka6 h LYS 35 CO -0.30 1.24 0.63 0.52 -2.27 0.00 0.00 179.45 179.27 2ka6 h MET 36 N -0.35 1.03 -0.22 1.90 2.86 -0.49 0.72 114.93 120.38 2ka6 h MET 36 Ca -0.18 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.38 2ka6 h MET 36 Cb 1.68 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 33.10 2ka6 h MET 36 CO 0.14 0.68 0.06 0.87 1.06 0.00 0.00 176.91 179.72 2ka6 h LYS 37 N 1.06 0.35 -0.71 1.72 1.57 -1.52 -1.24 116.57 117.79 2ka6 h LYS 37 Ca 0.45 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 59.13 2ka6 h LYS 37 Cb 0.31 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 2ka6 h LYS 37 CO -0.20 0.45 0.36 0.00 -0.57 0.00 0.00 179.45 179.49 2ka6 h ARG 38 N 0.18 0.99 0.28 3.15 3.08 -1.38 -1.54 114.38 119.14 2ka6 h ARG 38 Ca 0.07 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 2ka6 h ARG 38 Cb 0.25 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.11 2ka6 h ARG 38 CO -0.00 0.75 -0.13 0.28 -1.07 0.00 0.00 179.97 179.79 2ka6 h VAL 39 N 0.99 0.76 -0.69 2.04 2.07 -0.75 -1.45 116.25 119.22 2ka6 h VAL 39 Ca 0.25 -0.35 -0.05 0.00 0.82 0.00 0.00 66.70 67.37 2ka6 h VAL 39 Cb 0.06 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 2ka6 h VAL 39 CO -0.04 0.07 0.25 1.62 0.02 0.00 0.00 177.57 179.49 2ka6 h VAL 40 N -0.56 1.25 -0.91 2.57 3.04 -1.10 -2.54 116.25 118.00 2ka6 h VAL 40 Ca -0.04 -0.83 0.05 0.00 -1.01 0.00 0.00 66.70 64.87 2ka6 h VAL 40 Cb 0.41 0.48 -0.06 0.00 -2.01 0.00 0.00 31.29 30.12 2ka6 h VAL 40 CO 0.06 0.33 0.58 1.56 -1.01 0.00 0.00 177.57 179.09 2ka6 h GLN 41 N 1.00 1.06 0.55 4.17 1.08 -1.27 0.07 115.11 121.77 2ka6 h GLN 41 Ca 0.23 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.34 2ka6 h GLN 41 Cb 0.26 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 2ka6 h GLN 41 CO -0.01 0.70 -0.37 1.25 -0.95 0.00 0.00 178.83 179.45 2ka6 h HIS 42 N 1.09 -0.99 -0.94 2.96 -0.00 -0.96 -3.13 115.15 113.18 2ka6 h HIS 42 Ca 0.38 -0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.78 2ka6 h HIS 42 Cb 0.09 0.36 -0.05 0.00 -0.00 0.00 0.00 27.41 27.80 2ka6 h HIS 42 CO -0.02 -0.56 0.62 1.15 -0.00 0.00 0.00 177.93 179.12 2ka6 h THR 43 N -0.89 1.16 -0.02 6.26 2.02 -1.05 -0.41 112.91 119.98 2ka6 h THR 43 Ca -0.06 -0.40 0.01 0.00 0.77 0.00 0.00 66.41 66.72 2ka6 h THR 43 Cb 0.74 -0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 67.02 2ka6 h THR 43 CO 0.04 0.21 0.15 0.11 0.37 0.00 0.00 175.52 176.40 2ka6 h LYS 44 N 1.18 0.00 0.00 6.66 1.57 -0.94 -2.94 116.57 122.10 2ka6 h LYS 44 Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 2ka6 h LYS 44 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 2ka6 h LYS 44 CO -0.12 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.17 2ka6 n GLY 45 N -1.18 0.47 3.75 3.86 0.00 -0.74 -5.09 105.19 106.26 2ka6 n GLY 45 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 2ka6 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ka6 n LYS 47 N -2.73 1.73 -0.08 0.00 4.76 -1.26 -4.82 118.16 115.76 2ka6 n LYS 47 Ca 0.11 -1.13 -0.07 0.00 -2.87 0.00 0.00 58.31 54.35 2ka6 n LYS 47 Cb 0.52 -0.93 -0.02 0.00 -1.84 0.00 0.00 35.03 32.75 2ka6 n LYS 47 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2ka6 n ARG 48 N -0.32 0.45 -0.10 1.97 1.74 -1.26 -4.96 116.66 114.17 2ka6 n ARG 48 Ca 0.00 0.24 0.01 0.00 -0.77 0.00 0.00 57.85 57.33 2ka6 n ARG 48 Cb 0.22 -1.36 -0.00 0.00 -1.02 0.00 0.00 32.46 30.30 2ka6 n ARG 48 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 2ka6 n LYS 49 N -4.23 -0.19 -0.03 5.56 0.00 -1.26 -1.86 118.16 116.15 2ka6 n LYS 49 Ca -0.11 0.13 0.12 0.00 -0.00 0.00 0.00 58.31 58.44 2ka6 n LYS 49 Cb 0.41 -0.24 0.53 0.00 -0.00 0.00 0.00 35.03 35.74 2ka6 n LYS 49 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 2ka6 h THR 50 N -0.09 0.91 0.00 0.58 1.35 -1.89 0.18 112.91 113.95 2ka6 h THR 50 Ca 0.00 -0.11 -0.02 0.00 -0.55 0.00 0.00 66.41 65.73 2ka6 h THR 50 Cb 0.09 0.55 -0.00 0.00 -1.73 0.00 0.00 68.15 67.05 2ka6 h THR 50 CO 0.00 0.06 -0.11 -1.13 -0.25 0.00 0.00 175.52 174.09 2ka6 h ASN 51 N 0.33 0.00 0.00 5.36 -0.73 -1.98 -3.36 115.58 115.20 2ka6 h ASN 51 Ca 0.23 0.00 -0.07 0.00 1.87 0.00 0.00 56.30 58.33 2ka6 h ASN 51 Cb 0.49 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.07 2ka6 h ASN 51 CO -0.05 0.11 -1.28 0.61 -0.37 0.00 0.00 177.43 176.44 2ka6 n GLY 52 N -0.15 -0.12 0.00 1.57 0.00 -0.78 -5.07 105.19 100.64 2ka6 n GLY 52 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2ka6 n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ka6 n GLY 53 N 3.06 -0.69 3.66 -0.02 0.00 -0.02 -5.01 105.19 106.17 2ka6 n GLY 53 Ca -0.08 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.46 2ka6 n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ka6 h PRO 55 N 6.51 0.00 0.16 0.00 0.13 -2.00 -2.95 132.00 133.86 2ka6 h PRO 55 Ca -0.46 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 2ka6 h PRO 55 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2ka6 h PRO 55 CO 0.89 0.50 -0.08 0.28 -0.23 0.00 0.00 178.00 179.36 2ka6 h VAL 56 N 0.00 0.04 -0.46 1.56 2.07 -1.99 -3.17 116.25 114.30 2ka6 h VAL 56 Ca -0.00 -0.87 0.09 0.00 0.82 0.00 0.00 66.70 66.74 2ka6 h VAL 56 Cb 1.12 0.07 -0.09 0.00 -1.52 0.00 0.00 31.29 30.87 2ka6 h VAL 56 CO 0.06 0.01 -0.09 0.00 0.02 0.00 0.00 177.57 177.58 2ka6 h LYS 58 N 0.03 0.27 -0.18 0.00 1.57 -1.67 -1.86 116.57 114.72 2ka6 h LYS 58 Ca 0.23 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.96 2ka6 h LYS 58 Cb 0.35 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 2ka6 h LYS 58 CO -0.46 0.18 -0.00 0.37 -0.57 0.00 0.00 179.45 178.97 2ka6 h GLN 59 N 0.28 0.31 0.04 3.15 5.75 -1.00 -1.86 115.11 121.78 2ka6 h GLN 59 Ca 0.27 -0.10 -0.00 0.00 -0.15 0.00 0.00 58.65 58.67 2ka6 h GLN 59 Cb 0.68 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.21 2ka6 h GLN 59 CO -0.06 0.53 -0.02 -0.07 -2.65 0.00 0.00 178.83 176.56 2ka6 h LEU 60 N 0.06 -0.05 -0.81 -2.39 4.07 -1.10 -2.62 115.31 112.47 2ka6 h LEU 60 Ca 0.05 -0.02 0.01 0.00 0.08 0.00 0.00 57.88 58.00 2ka6 h LEU 60 Cb 0.39 0.01 -0.04 0.00 1.08 0.00 0.00 40.66 42.10 2ka6 h LEU 60 CO 0.01 -0.01 0.53 0.40 -1.08 0.00 0.00 178.44 178.29 2ka6 h ILE 61 N -0.08 1.20 -0.04 1.22 1.08 -1.35 0.16 117.51 119.70 2ka6 h ILE 61 Ca -0.01 -0.37 0.02 0.00 -0.39 0.00 0.00 64.86 64.11 2ka6 h ILE 61 Cb 0.07 0.02 -0.02 0.00 -3.07 0.00 0.00 36.82 33.81 2ka6 h ILE 61 CO 0.01 0.20 -0.06 0.00 -0.69 0.00 0.00 178.15 177.60 2ka6 h ALA 62 N 1.30 -0.03 -1.00 1.87 0.00 -1.27 0.24 119.26 120.37 2ka6 h ALA 62 Ca 0.30 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.28 2ka6 h ALA 62 Cb -0.11 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 2ka6 h ALA 62 CO -0.07 -0.54 0.65 1.25 0.00 0.00 0.00 179.25 180.54 2ka6 h LEU 63 N -0.09 1.06 -0.13 0.00 6.46 -1.03 -1.86 115.31 119.72 2ka6 h LEU 63 Ca 0.04 -0.00 -0.22 0.00 -0.12 0.00 0.00 57.88 57.58 2ka6 h LEU 63 Cb 0.15 -0.23 0.01 0.00 -0.73 0.00 0.00 40.66 39.86 2ka6 h LEU 63 CO -0.10 0.70 -0.78 0.00 -0.62 0.00 0.00 178.44 177.65 2ka6 h TYR 66 N 0.54 1.04 0.07 0.00 3.20 -1.40 -0.93 116.97 119.49 2ka6 h TYR 66 Ca 0.21 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.11 2ka6 h TYR 66 Cb 0.08 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.02 2ka6 h TYR 66 CO -0.08 0.48 -0.03 1.25 -1.64 0.00 0.00 178.16 178.13 2ka6 h HIS 67 N 0.98 -0.09 -0.52 -3.82 2.76 -1.40 -3.36 115.15 109.70 2ka6 h HIS 67 Ca 0.42 -0.00 0.13 0.00 -2.20 0.00 0.00 60.37 58.72 2ka6 h HIS 67 Cb 0.28 0.03 -0.02 0.00 1.55 0.00 0.00 27.41 29.25 2ka6 h HIS 67 CO -0.03 0.45 0.36 0.00 -1.30 0.00 0.00 177.93 177.41 2ka6 h ALA 68 N -0.30 2.35 -0.77 5.26 0.00 -0.48 -0.71 119.26 124.61 2ka6 h ALA 68 Ca -0.01 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2ka6 h ALA 68 Cb 0.58 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 2ka6 h ALA 68 CO 0.02 -0.49 0.51 0.87 0.00 0.00 0.00 179.25 180.16 2ka6 h LYS 69 N 0.10 0.97 0.05 0.00 1.57 -1.31 -3.09 116.57 114.87 2ka6 h LYS 69 Ca 0.25 -0.06 -0.32 0.00 -1.87 0.00 0.00 60.65 58.65 2ka6 h LYS 69 Cb 0.84 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 32.89 2ka6 h LYS 69 CO -0.03 0.64 -1.82 1.58 -0.57 0.00 0.00 179.45 179.26 2ka6 n HIS 70 N -4.43 1.12 -1.60 -1.35 -0.00 -0.53 -4.98 115.22 103.44 2ka6 n HIS 70 Ca 0.09 0.33 -0.35 0.00 0.46 0.00 0.00 57.72 58.25 2ka6 n HIS 70 Cb 0.06 -1.18 0.08 0.00 -0.12 0.00 0.00 29.99 28.83 2ka6 n HIS 70 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2ka6 n GLN 72 N -2.38 0.02 -2.13 0.00 6.02 -1.26 -4.93 117.38 112.71 2ka6 n GLN 72 Ca 0.14 -0.02 -0.32 0.00 -0.01 0.00 0.00 57.00 56.78 2ka6 n GLN 72 Cb 0.50 -0.44 -0.00 0.00 1.02 0.00 0.00 30.24 31.32 2ka6 n GLN 72 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2ka6 s GLU 73 N -0.01 3.51 0.00 -1.09 2.56 -1.26 -5.00 118.70 117.40 2ka6 s GLU 73 Ca 0.00 1.11 0.12 0.00 0.00 0.00 0.00 54.97 56.20 2ka6 s GLU 73 Cb 0.00 -2.06 -0.09 0.00 2.00 0.00 0.00 34.13 33.97 2ka6 s GLU 73 CO 0.00 -0.65 0.58 -1.71 -0.56 0.00 0.00 175.26 172.93 2ka6 n ASN 74 N -1.94 0.83 -0.08 -1.70 5.15 -1.26 -4.54 115.26 111.72 2ka6 n ASN 74 Ca 0.08 -0.92 0.07 0.00 -0.60 0.00 0.00 54.58 53.22 2ka6 n ASN 74 Cb 0.53 0.84 0.10 0.00 -0.53 0.00 0.00 39.78 40.72 2ka6 n ASN 74 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2ka6 n LYS 75 N -0.95 1.51 -1.67 1.20 4.01 -1.26 -5.02 118.16 115.98 2ka6 n LYS 75 Ca 0.03 -2.26 -0.44 0.00 -0.51 0.00 0.00 58.31 55.14 2ka6 n LYS 75 Cb 0.21 -1.33 -0.01 0.00 -0.51 0.00 0.00 35.03 33.39 2ka6 n LYS 75 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2ka6 h PRO 77 N 2.96 0.00 -6.52 0.00 0.13 -1.94 -3.44 132.00 123.20 2ka6 h PRO 77 Ca -0.45 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.15 2ka6 h PRO 77 Cb 1.29 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.44 2ka6 h PRO 77 CO 0.66 0.27 0.79 0.08 -0.23 0.00 0.00 178.00 179.57 2ka6 s VAL 78 N -4.03 3.25 0.38 1.56 1.01 -1.26 -4.87 120.40 116.45 2ka6 s VAL 78 Ca -0.02 0.85 0.16 0.00 0.00 0.00 0.00 61.98 62.97 2ka6 s VAL 78 Cb 0.13 -3.54 0.15 0.00 0.00 0.00 0.00 36.38 33.12 2ka6 s VAL 78 CO 0.66 0.05 1.90 1.55 0.00 0.00 0.00 175.10 179.26 2ka6 h PRO 79 N 7.12 0.00 0.00 2.72 0.13 -1.97 -3.21 132.00 136.79 2ka6 h PRO 79 Ca -0.42 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.57 2ka6 h PRO 79 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 2ka6 h PRO 79 CO 0.88 0.28 -1.34 0.74 -0.23 0.00 0.00 178.00 178.34 2ka6 h PHE 80 N 0.00 0.00 -0.32 1.56 0.04 -1.96 -3.38 116.94 112.89 2ka6 h PHE 80 Ca -0.00 0.00 0.07 0.00 2.80 0.00 0.00 57.97 60.84 2ka6 h PHE 80 Cb 0.54 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 38.61 2ka6 h PHE 80 CO 0.00 0.49 -0.21 0.00 -0.60 0.00 0.00 178.31 177.99 2ka6 h LEU 82 N -0.18 0.04 -1.13 0.00 -0.00 -1.77 -1.02 115.31 111.25 2ka6 h LEU 82 Ca 0.16 -0.12 0.09 0.00 -0.00 0.00 0.00 57.88 58.01 2ka6 h LEU 82 Cb 0.43 -0.01 -0.07 0.00 -0.00 0.00 0.00 40.66 41.01 2ka6 h LEU 82 CO -0.43 0.16 0.60 0.78 -0.00 0.00 0.00 178.44 179.55 2ka6 h ASN 83 N -0.07 0.87 0.03 -0.43 2.35 -1.62 -2.25 115.58 114.46 2ka6 h ASN 83 Ca 0.01 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2ka6 h ASN 83 Cb 0.12 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.34 2ka6 h ASN 83 CO -0.00 0.52 -0.01 0.40 -1.65 0.00 0.00 177.43 176.68 2ka6 h ILE 84 N 0.97 1.14 -0.75 2.81 2.04 -0.71 -3.30 117.51 119.71 2ka6 h ILE 84 Ca 0.43 -1.73 0.09 0.00 1.00 0.00 0.00 64.86 64.65 2ka6 h ILE 84 Cb 0.36 2.11 -0.05 0.00 -0.74 0.00 0.00 36.82 38.50 2ka6 h ILE 84 CO -0.19 0.37 0.49 0.07 0.00 0.00 0.00 178.15 178.89 2ka6 h LYS 85 N -0.96 0.67 0.00 2.37 2.10 -1.12 -0.01 116.57 119.63 2ka6 h LYS 85 Ca -0.00 -0.04 -0.02 0.00 -2.00 0.00 0.00 60.65 58.58 2ka6 h LYS 85 Cb 0.63 -0.15 -0.00 0.00 -0.90 0.00 0.00 32.23 31.81 2ka6 h LYS 85 CO 0.01 0.44 -0.11 0.45 -2.00 0.00 0.00 179.45 178.24 2ka6 h HIS 86 N 0.69 0.00 0.06 0.07 3.86 -1.55 0.16 115.15 118.44 2ka6 h HIS 86 Ca 0.34 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 59.22 2ka6 h HIS 86 Cb 0.42 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.86 2ka6 h HIS 86 CO -0.00 0.11 -1.84 1.63 0.86 0.00 0.00 177.93 178.68 2ka6 n LYS 87 N -3.40 0.70 -0.08 2.45 5.02 -0.23 -4.33 118.16 118.29 2ka6 n LYS 87 Ca -0.01 0.28 -0.14 0.00 -2.02 0.00 0.00 58.31 56.42 2ka6 n LYS 87 Cb 0.28 -1.76 -0.03 0.00 -0.02 0.00 0.00 35.03 33.50 2ka6 n LYS 87 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2ka6 h LEU 88 N 0.04 0.96 -1.99 -0.35 3.38 -0.80 -3.25 115.31 113.30 2ka6 h LEU 88 Ca -0.35 -0.50 0.26 0.00 0.09 0.00 0.00 57.88 57.38 2ka6 h LEU 88 Cb 2.03 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 42.47 2ka6 h LEU 88 CO 0.09 1.29 0.65 0.08 0.09 0.00 0.00 178.44 180.65 2ka6 h ARG 89 N 0.67 0.00 0.00 1.13 0.11 -1.16 -0.50 114.38 114.64 2ka6 h ARG 89 Ca 0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.10 2ka6 h ARG 89 Cb 1.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.20 2ka6 h ARG 89 CO 0.12 0.00 0.00 1.04 0.10 0.00 0.00 179.97 181.23 2ka6 n GLN 90 N -4.22 0.10 0.00 0.08 1.13 -1.23 -2.41 117.38 110.84 2ka6 n GLN 90 Ca 0.18 0.57 0.00 0.00 -1.94 0.00 0.00 57.00 55.81 2ka6 n GLN 90 Cb 0.97 -1.81 0.00 0.00 0.11 0.00 0.00 30.24 29.51 2ka6 n GLN 90 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2ka6 n GLN 91 N -2.02 3.52 0.00 -1.09 1.13 -0.20 -5.18 117.38 113.53 2ka6 n GLN 91 Ca -0.01 -0.14 0.00 0.00 -1.94 0.00 0.00 57.00 54.92 2ka6 n GLN 91 Cb 0.04 -0.58 0.00 0.00 0.11 0.00 0.00 30.24 29.82 2ka6 n GLN 91 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62