#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 0.13 1.43 -0.04 -1.26 -2.85 135.00 132.41 2ka6 n PRO 2 Ca 0.00 0.18 -0.00 0.00 -0.04 0.00 0.00 63.50 63.63 2ka6 n PRO 2 Cb 0.00 -0.92 0.26 0.00 -0.04 0.00 0.00 33.50 32.80 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 0.13 -0.64 0.54 4.20 -2.07 -3.08 115.11 114.19 2ka6 h GLN 3 Ca 0.00 -0.06 0.14 0.00 0.06 0.00 0.00 58.65 58.79 2ka6 h GLN 3 Cb 0.00 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 2ka6 h GLN 3 CO 0.00 0.53 0.44 0.93 -0.67 0.00 0.00 178.83 180.06 2ka6 h GLU 4 N 0.11 0.24 -0.66 1.46 3.07 -2.00 -2.35 114.58 114.45 2ka6 h GLU 4 Ca 0.01 -0.01 0.09 0.00 -0.50 0.00 0.00 59.36 58.94 2ka6 h GLU 4 Cb 0.79 -0.05 -0.07 0.00 -0.84 0.00 0.00 28.75 28.58 2ka6 h GLU 4 CO 0.06 0.16 0.32 1.03 -1.40 0.00 0.00 179.01 179.17 2ka6 h SER 5 N 0.25 0.40 -0.11 1.42 0.87 -1.43 0.74 113.55 115.70 2ka6 h SER 5 Ca 0.31 0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.91 2ka6 h SER 5 Cb 0.87 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.82 2ka6 h SER 5 CO -0.07 0.24 -0.00 0.03 -0.53 0.00 0.00 176.83 176.50 2ka6 h ARG 6 N 0.55 0.19 -0.15 2.24 3.08 -1.64 -2.15 114.38 116.50 2ka6 h ARG 6 Ca 0.32 -0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.35 2ka6 h ARG 6 Cb 0.34 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 2ka6 h ARG 6 CO -0.26 0.44 -0.07 0.00 -1.07 0.00 0.00 179.97 179.01 2ka6 h ARG 7 N -0.09 -0.04 -0.07 0.04 3.08 -1.37 -2.68 114.38 113.25 2ka6 h ARG 7 Ca 0.03 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.95 2ka6 h ARG 7 Cb 0.36 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 2ka6 h ARG 7 CO 0.01 -0.03 -0.53 -0.07 -1.07 0.00 0.00 179.97 178.27 2ka6 h LEU 8 N -0.05 0.23 -0.35 3.04 3.38 -0.94 -3.18 115.31 117.44 2ka6 h LEU 8 Ca 0.08 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2ka6 h LEU 8 Cb 0.17 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2ka6 h LEU 8 CO -0.18 0.72 0.19 0.28 0.09 0.00 0.00 178.44 179.53 2ka6 h SER 9 N 0.16 0.45 -0.94 -0.43 0.02 -1.11 -3.01 113.55 108.69 2ka6 h SER 9 Ca 0.00 -0.10 0.18 0.00 -0.84 0.00 0.00 61.79 61.03 2ka6 h SER 9 Cb 0.99 -0.11 -0.08 0.00 0.14 0.00 0.00 62.40 63.34 2ka6 h SER 9 CO 0.08 0.42 0.60 0.40 -1.14 0.00 0.00 176.83 177.19 2ka6 h ILE 10 N 0.44 0.75 -0.68 3.27 2.04 -1.46 -1.86 117.51 120.02 2ka6 h ILE 10 Ca 0.12 -0.22 0.11 0.00 1.00 0.00 0.00 64.86 65.87 2ka6 h ILE 10 Cb 0.08 0.04 -0.04 0.00 -0.74 0.00 0.00 36.82 36.16 2ka6 h ILE 10 CO -0.02 0.12 0.45 1.56 0.00 0.00 0.00 178.15 180.27 2ka6 h GLN 11 N 0.65 0.47 -0.90 2.37 1.08 -1.61 -2.02 115.11 115.15 2ka6 h GLN 11 Ca 0.50 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.66 2ka6 h GLN 11 Cb 0.91 -0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 28.19 2ka6 h GLN 11 CO -0.26 0.31 0.51 0.07 -0.95 0.00 0.00 178.83 178.52 2ka6 h ARG 12 N 0.49 1.24 -0.10 1.46 0.11 -1.47 -1.75 114.38 114.36 2ka6 h ARG 12 Ca 0.32 -0.13 -0.19 0.00 0.10 0.00 0.00 59.98 60.08 2ka6 h ARG 12 Cb 0.59 -0.25 -0.00 0.00 1.11 0.00 0.00 29.97 31.42 2ka6 h ARG 12 CO -0.10 0.89 -0.73 0.00 0.10 0.00 0.00 179.97 180.13 2ka6 h ILE 14 N 0.34 1.04 -0.82 0.00 2.04 -1.11 0.38 117.51 119.37 2ka6 h ILE 14 Ca -0.03 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.71 2ka6 h ILE 14 Cb 1.32 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 38.47 2ka6 h ILE 14 CO 0.13 0.03 0.52 1.56 0.00 0.00 0.00 178.15 180.40 2ka6 h GLN 15 N -0.04 1.10 -0.50 2.37 4.20 -1.33 -1.10 115.11 119.81 2ka6 h GLN 15 Ca 0.00 -0.08 -0.04 0.00 0.06 0.00 0.00 58.65 58.59 2ka6 h GLN 15 Cb 0.05 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.57 2ka6 h GLN 15 CO -0.00 0.75 0.17 0.77 -0.67 0.00 0.00 178.83 179.85 2ka6 h SER 16 N 1.12 0.72 -0.39 1.46 0.02 -0.99 -0.52 113.55 114.98 2ka6 h SER 16 Ca 0.30 -0.20 -0.12 0.00 -0.84 0.00 0.00 61.79 60.93 2ka6 h SER 16 Cb -0.09 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.25 2ka6 h SER 16 CO -0.06 0.73 -0.22 0.25 -1.14 0.00 0.00 176.83 176.38 2ka6 h LEU 17 N 0.68 0.87 -0.55 5.07 5.85 -0.76 -0.95 115.31 125.51 2ka6 h LEU 17 Ca 0.16 -0.42 0.02 0.00 0.84 0.00 0.00 57.88 58.49 2ka6 h LEU 17 Cb 0.25 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 2ka6 h LEU 17 CO -0.01 1.10 0.34 0.58 -0.34 0.00 0.00 178.44 180.10 2ka6 h VAL 18 N 0.64 1.07 0.37 1.05 2.07 -1.10 -0.20 116.25 120.15 2ka6 h VAL 18 Ca 0.08 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 2ka6 h VAL 18 Cb 0.78 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2ka6 h VAL 18 CO 0.06 0.12 -0.20 -0.74 0.02 0.00 0.00 177.57 176.84 2ka6 h HIS 19 N 0.67 -0.51 -0.58 1.57 -0.00 -0.98 -2.98 115.15 112.33 2ka6 h HIS 19 Ca 0.22 -0.01 0.09 0.00 -0.00 0.00 0.00 60.37 60.67 2ka6 h HIS 19 Cb 0.02 0.17 -0.04 0.00 -0.00 0.00 0.00 27.41 27.56 2ka6 h HIS 19 CO -0.06 -0.31 0.39 0.00 -0.00 0.00 0.00 177.93 177.95 2ka6 h ALA 20 N 0.09 1.98 0.00 5.26 0.00 -0.85 0.71 119.26 126.46 2ka6 h ALA 20 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2ka6 h ALA 20 Cb 0.42 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2ka6 h ALA 20 CO 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.22 2ka6 n GLN 22 N -1.88 0.85 -1.30 0.00 6.02 -0.34 -4.89 117.38 115.83 2ka6 n GLN 22 Ca 0.02 -0.02 -0.31 0.00 -0.01 0.00 0.00 57.00 56.69 2ka6 n GLN 22 Cb 0.18 -1.06 0.10 0.00 1.02 0.00 0.00 30.24 30.47 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 -3.55 3.10 -1.88 0.00 3.00 -1.26 -4.97 116.66 111.09 2ka6 n ARG 24 Ca 0.08 0.00 -0.42 0.00 -0.01 0.00 0.00 57.85 57.50 2ka6 n ARG 24 Cb 0.54 -0.60 -0.03 0.00 0.00 0.00 0.00 32.46 32.37 2ka6 n ARG 24 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 2ka6 s ASN 25 N -0.93 6.54 0.26 0.55 0.01 -1.26 -4.92 114.94 115.19 2ka6 s ASN 25 Ca 0.00 2.67 -0.03 0.00 -0.71 0.00 0.00 52.86 54.79 2ka6 s ASN 25 Cb 0.00 -2.59 0.39 0.00 0.41 0.00 0.00 41.25 39.46 2ka6 s ASN 25 CO 0.00 -0.86 1.87 0.00 -1.51 0.00 0.00 177.10 176.60 2ka6 h ALA 26 N 6.92 1.34 -1.74 0.60 0.00 -2.01 -3.32 119.26 121.05 2ka6 h ALA 26 Ca -0.43 -0.02 -0.48 0.00 0.00 0.00 0.00 54.91 53.98 2ka6 h ALA 26 Cb 1.20 -0.28 -0.33 0.00 0.00 0.00 0.00 17.79 18.39 2ka6 h ALA 26 CO 0.93 0.38 -0.92 0.09 0.00 0.00 0.00 179.25 179.72 2ka6 n ASN 27 N -4.55 -0.82 -4.27 0.00 3.02 -1.26 -4.90 115.26 102.49 2ka6 n ASN 27 Ca 0.15 -2.70 -0.34 0.00 -0.03 0.00 0.00 54.58 51.66 2ka6 n ASN 27 Cb 0.19 -0.04 0.12 0.00 -0.61 0.00 0.00 39.78 39.45 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 -1.63 0.00 -3.48 0.00 4.64 -2.01 -3.43 113.55 107.65 2ka6 h SER 29 Ca -0.47 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.32 2ka6 h SER 29 Cb 1.33 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.39 2ka6 h SER 29 CO 0.33 0.09 0.34 -0.76 -0.87 0.00 0.00 176.83 175.96 2ka6 s LEU 30 N -7.12 4.43 0.43 5.97 1.43 -1.26 -4.97 118.68 117.59 2ka6 s LEU 30 Ca -0.03 1.68 0.16 0.00 -1.03 0.00 0.00 54.13 54.91 2ka6 s LEU 30 Cb 0.13 -3.53 0.97 0.00 0.03 0.00 0.00 46.19 43.78 2ka6 s LEU 30 CO 0.57 -0.15 1.94 1.55 0.23 0.00 0.00 176.35 180.49 2ka6 h PRO 31 N 6.20 0.00 0.03 1.29 0.13 -2.00 -3.09 132.00 134.56 2ka6 h PRO 31 Ca -0.42 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.60 2ka6 h PRO 31 Cb 1.21 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.35 2ka6 h PRO 31 CO 0.73 0.24 -0.43 0.66 -0.23 0.00 0.00 178.00 178.97 2ka6 h SER 32 N 0.00 0.32 -0.74 1.44 4.64 -1.95 -3.33 113.55 113.93 2ka6 h SER 32 Ca -0.00 -0.84 0.16 0.00 -0.47 0.00 0.00 61.79 60.63 2ka6 h SER 32 Cb 0.45 -0.10 -0.11 0.00 -0.31 0.00 0.00 62.40 62.33 2ka6 h SER 32 CO 0.03 1.13 0.22 0.00 -0.87 0.00 0.00 176.83 177.34 2ka6 h GLN 34 N 0.31 0.44 0.08 0.00 4.20 -1.66 -2.24 115.11 116.24 2ka6 h GLN 34 Ca 0.42 -0.03 -0.31 0.00 0.06 0.00 0.00 58.65 58.79 2ka6 h GLN 34 Cb 0.70 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.36 2ka6 h GLN 34 CO -0.48 0.29 -1.71 1.17 -0.67 0.00 0.00 178.83 177.43 2ka6 n LYS 35 N -4.50 0.69 -0.36 1.46 4.81 -0.15 -4.04 118.16 116.06 2ka6 n LYS 35 Ca 0.16 0.39 0.06 0.00 -0.87 0.00 0.00 58.31 58.05 2ka6 n LYS 35 Cb 0.58 -1.73 0.22 0.00 0.02 0.00 0.00 35.03 34.12 2ka6 n LYS 35 CO 0.00 0.00 0.00 0.52 1.17 0.00 0.00 177.40 179.09 2ka6 h MET 36 N -0.34 1.02 -0.42 1.64 2.86 -0.52 -0.34 114.93 118.84 2ka6 h MET 36 Ca -0.39 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.16 2ka6 h MET 36 Cb 1.75 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 33.17 2ka6 h MET 36 CO -0.03 0.68 0.17 0.87 1.06 0.00 0.00 176.91 179.66 2ka6 h LYS 37 N 1.06 0.62 -0.80 1.72 1.57 -1.60 -0.92 116.57 118.21 2ka6 h LYS 37 Ca 0.47 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 59.10 2ka6 h LYS 37 Cb 0.37 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.54 2ka6 h LYS 37 CO -0.23 0.58 0.37 0.00 -0.57 0.00 0.00 179.45 179.60 2ka6 h ARG 38 N 0.53 1.16 0.42 3.15 3.08 -1.46 -1.07 114.38 120.19 2ka6 h ARG 38 Ca 0.14 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 2ka6 h ARG 38 Cb 0.19 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.04 2ka6 h ARG 38 CO -0.01 0.91 -0.20 0.28 -1.07 0.00 0.00 179.97 179.87 2ka6 h VAL 39 N 1.13 0.58 -0.61 2.04 2.07 -0.91 -1.08 116.25 119.47 2ka6 h VAL 39 Ca 0.27 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.53 2ka6 h VAL 39 Cb 0.14 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 2ka6 h VAL 39 CO -0.03 0.04 0.22 1.62 0.02 0.00 0.00 177.57 179.44 2ka6 h VAL 40 N -0.69 1.24 -0.68 2.57 3.04 -1.12 -2.28 116.25 118.32 2ka6 h VAL 40 Ca -0.06 -0.77 0.09 0.00 -1.01 0.00 0.00 66.70 64.95 2ka6 h VAL 40 Cb 0.50 0.59 -0.07 0.00 -2.01 0.00 0.00 31.29 30.30 2ka6 h VAL 40 CO 0.09 0.30 0.33 1.56 -1.01 0.00 0.00 177.57 178.84 2ka6 h GLN 41 N 0.86 0.55 0.51 4.17 1.08 -1.17 0.39 115.11 121.50 2ka6 h GLN 41 Ca 0.20 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.34 2ka6 h GLN 41 Cb 0.24 -0.12 0.01 0.00 -0.05 0.00 0.00 27.48 27.55 2ka6 h GLN 41 CO -0.01 0.36 -0.25 1.25 -0.95 0.00 0.00 178.83 179.24 2ka6 h HIS 42 N 0.57 -0.64 -0.62 2.96 2.76 -0.91 -3.18 115.15 116.09 2ka6 h HIS 42 Ca 0.33 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.48 2ka6 h HIS 42 Cb 0.35 0.21 -0.03 0.00 1.55 0.00 0.00 27.41 29.49 2ka6 h HIS 42 CO -0.12 -0.38 0.37 1.15 -1.30 0.00 0.00 177.93 177.65 2ka6 h THR 43 N -0.71 1.18 0.00 6.26 2.02 -1.04 -1.26 112.91 119.36 2ka6 h THR 43 Ca -0.07 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.70 2ka6 h THR 43 Cb 0.54 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 2ka6 h THR 43 CO 0.12 0.19 0.01 0.29 0.37 0.00 0.00 175.52 176.50 2ka6 n LYS 44 N -4.40 0.04 0.00 6.66 5.02 0.09 -2.95 118.16 122.62 2ka6 n LYS 44 Ca 0.06 0.54 0.00 0.00 -2.02 0.00 0.00 58.31 56.89 2ka6 n LYS 44 Cb 0.08 -1.66 0.00 0.00 -0.02 0.00 0.00 35.03 33.43 2ka6 n LYS 44 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ka6 n GLY 45 N -1.43 1.00 3.77 0.72 0.00 -0.84 -5.08 105.19 103.32 2ka6 n GLY 45 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 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 0.88 2.85 -0.01 0.00 4.76 -1.26 -4.60 118.16 120.78 2ka6 n LYS 47 Ca -0.00 -2.03 0.03 0.00 -2.87 0.00 0.00 58.31 53.44 2ka6 n LYS 47 Cb 0.43 -1.28 0.03 0.00 -1.84 0.00 0.00 35.03 32.37 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 0.08 -0.01 -1.38 1.97 5.12 -1.26 -4.94 116.66 116.24 2ka6 n ARG 48 Ca 0.10 -0.89 -0.41 0.00 -1.93 0.00 0.00 57.85 54.72 2ka6 n ARG 48 Cb 0.44 -1.10 0.01 0.00 -1.16 0.00 0.00 32.46 30.65 2ka6 n ARG 48 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 2ka6 n LYS 49 N 0.26 0.30 0.00 5.56 2.85 -1.26 -0.59 118.16 125.27 2ka6 n LYS 49 Ca 0.03 0.11 0.00 0.00 -1.05 0.00 0.00 58.31 57.40 2ka6 n LYS 49 Cb 0.14 -1.29 0.00 0.00 -0.65 0.00 0.00 35.03 33.24 2ka6 n LYS 49 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2ka6 n THR 50 N -1.03 0.00 0.23 0.58 -2.24 -1.26 -1.06 114.28 109.50 2ka6 n THR 50 Ca 0.11 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.01 2ka6 n THR 50 Cb 0.41 0.00 0.72 0.00 -2.10 0.00 0.00 70.33 69.36 2ka6 n THR 50 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 2ka6 h ASN 51 N 0.00 0.00 0.00 3.42 -1.24 -1.95 -3.07 115.58 112.74 2ka6 h ASN 51 Ca 0.00 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.01 2ka6 h ASN 51 Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 2ka6 h ASN 51 CO 0.00 0.00 -0.01 1.23 -1.29 0.00 0.00 177.43 177.36 2ka6 h GLY 52 N 0.00 0.01 0.00 1.57 0.00 -1.10 -3.49 103.07 100.05 2ka6 h GLY 52 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.36 2ka6 h GLY 52 CO -0.00 0.01 0.00 0.61 0.00 0.00 0.00 176.54 177.16 2ka6 n GLY 53 N 1.53 0.42 3.68 4.60 0.00 0.24 -4.99 105.19 110.67 2ka6 n GLY 53 Ca -0.10 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.44 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 8.21 0.00 0.24 0.00 0.13 -1.97 -3.32 132.00 135.28 2ka6 h PRO 55 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 2ka6 h PRO 55 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2ka6 h PRO 55 CO 0.93 0.00 -0.12 0.28 -0.23 0.00 0.00 178.00 178.86 2ka6 h VAL 56 N 0.00 0.08 -0.41 1.56 2.07 -1.99 -3.15 116.25 114.40 2ka6 h VAL 56 Ca 0.00 -0.80 0.08 0.00 0.82 0.00 0.00 66.70 66.80 2ka6 h VAL 56 Cb 0.90 0.14 -0.09 0.00 -1.52 0.00 0.00 31.29 30.71 2ka6 h VAL 56 CO 0.00 0.02 -0.30 0.00 0.02 0.00 0.00 177.57 177.31 2ka6 h LYS 58 N -0.22 0.10 -0.47 0.00 3.64 -1.72 -1.66 116.57 116.24 2ka6 h LYS 58 Ca 0.18 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.47 2ka6 h LYS 58 Cb 0.52 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 2ka6 h LYS 58 CO -0.54 0.07 -0.05 0.37 -2.27 0.00 0.00 179.45 177.02 2ka6 h GLN 59 N 0.10 0.86 -0.26 1.90 5.75 -1.08 -2.85 115.11 119.54 2ka6 h GLN 59 Ca 0.32 -0.30 -0.02 0.00 -0.15 0.00 0.00 58.65 58.49 2ka6 h GLN 59 Cb 1.12 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.59 2ka6 h GLN 59 CO -0.03 0.94 0.08 -0.07 -2.65 0.00 0.00 178.83 177.09 2ka6 h LEU 60 N 0.71 0.38 -0.55 -2.39 4.07 -1.21 -2.97 115.31 113.35 2ka6 h LEU 60 Ca 0.13 -0.21 0.09 0.00 0.08 0.00 0.00 57.88 57.97 2ka6 h LEU 60 Cb 0.58 -0.10 -0.07 0.00 1.08 0.00 0.00 40.66 42.15 2ka6 h LEU 60 CO 0.03 0.49 0.14 0.40 -1.08 0.00 0.00 178.44 178.43 2ka6 h ILE 61 N 0.25 0.72 0.32 1.22 1.08 -1.41 0.99 117.51 120.68 2ka6 h ILE 61 Ca 0.08 -0.10 -0.01 0.00 -0.39 0.00 0.00 64.86 64.44 2ka6 h ILE 61 Cb 0.25 0.40 -0.01 0.00 -3.07 0.00 0.00 36.82 34.40 2ka6 h ILE 61 CO -0.00 0.05 -0.20 0.00 -0.69 0.00 0.00 178.15 177.31 2ka6 h ALA 62 N 1.41 -0.49 -0.79 1.87 0.00 -1.48 0.14 119.26 119.93 2ka6 h ALA 62 Ca 0.28 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.20 2ka6 h ALA 62 Cb 0.37 0.25 -0.08 0.00 0.00 0.00 0.00 17.79 18.33 2ka6 h ALA 62 CO -0.33 -0.79 0.42 1.25 0.00 0.00 0.00 179.25 179.80 2ka6 h LEU 63 N -0.50 0.56 -0.31 0.00 6.46 -1.28 -1.35 115.31 118.90 2ka6 h LEU 63 Ca -0.03 0.06 -0.17 0.00 -0.12 0.00 0.00 57.88 57.62 2ka6 h LEU 63 Cb 0.41 -0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 40.31 2ka6 h LEU 63 CO 0.03 0.30 -0.49 0.00 -0.62 0.00 0.00 178.44 177.66 2ka6 h TYR 66 N 0.69 0.82 0.08 0.00 3.20 -1.28 -1.16 116.97 119.31 2ka6 h TYR 66 Ca 0.23 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.12 2ka6 h TYR 66 Cb 0.02 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.03 2ka6 h TYR 66 CO -0.06 0.38 -0.04 1.25 -1.64 0.00 0.00 178.16 178.05 2ka6 h HIS 67 N 0.80 -0.10 -0.64 -3.82 2.76 -1.40 -3.36 115.15 109.38 2ka6 h HIS 67 Ca 0.35 -0.00 0.14 0.00 -2.20 0.00 0.00 60.37 58.66 2ka6 h HIS 67 Cb 0.24 0.03 -0.04 0.00 1.55 0.00 0.00 27.41 29.19 2ka6 h HIS 67 CO -0.06 0.44 0.44 0.00 -1.30 0.00 0.00 177.93 177.45 2ka6 h ALA 68 N -0.23 2.21 -0.97 5.26 0.00 -0.55 -1.40 119.26 123.59 2ka6 h ALA 68 Ca -0.01 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.96 2ka6 h ALA 68 Cb 0.59 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 2ka6 h ALA 68 CO 0.02 -0.38 0.63 0.87 0.00 0.00 0.00 179.25 180.38 2ka6 h LYS 69 N 0.28 1.07 0.00 0.00 1.57 -1.36 -2.89 116.57 115.24 2ka6 h LYS 69 Ca 0.31 -0.06 -0.17 0.00 -1.87 0.00 0.00 60.65 58.86 2ka6 h LYS 69 Cb 0.82 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.86 2ka6 h LYS 69 CO -0.07 0.71 -1.42 0.72 -0.57 0.00 0.00 179.45 178.82 2ka6 n HIS 70 N -4.50 0.99 -1.17 -1.35 8.25 -0.63 -4.99 115.22 111.81 2ka6 n HIS 70 Ca 0.15 0.33 -0.33 0.00 -0.26 0.00 0.00 57.72 57.61 2ka6 n HIS 70 Cb 0.21 -1.09 0.12 0.00 1.12 0.00 0.00 29.99 30.34 2ka6 n HIS 70 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ka6 n GLN 72 N -3.25 0.01 -4.77 0.00 1.13 -1.26 -4.98 117.38 104.27 2ka6 n GLN 72 Ca 0.13 -0.21 -0.33 0.00 -1.94 0.00 0.00 57.00 54.65 2ka6 n GLN 72 Cb 0.51 -0.51 -0.13 0.00 0.11 0.00 0.00 30.24 30.22 2ka6 n GLN 72 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 2ka6 s GLU 73 N -0.01 2.89 0.00 -1.09 -1.05 -1.26 -5.00 118.70 113.18 2ka6 s GLU 73 Ca 0.00 -0.65 0.13 0.00 -0.15 0.00 0.00 54.97 54.30 2ka6 s GLU 73 Cb 0.00 -2.53 0.57 0.00 -0.44 0.00 0.00 34.13 31.72 2ka6 s GLU 73 CO 0.00 0.49 1.39 0.09 0.95 0.00 0.00 175.26 178.18 2ka6 n ASN 74 N 2.72 0.85 -0.26 0.83 4.13 -1.26 -3.54 115.26 118.73 2ka6 n ASN 74 Ca -0.18 -1.77 0.03 0.00 1.68 0.00 0.00 54.58 54.35 2ka6 n ASN 74 Cb 0.52 -0.08 0.04 0.00 -1.54 0.00 0.00 39.78 38.73 2ka6 n ASN 74 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2ka6 n LYS 75 N -0.14 0.90 -1.67 3.52 4.76 -1.26 -5.01 118.16 119.26 2ka6 n LYS 75 Ca 0.11 -1.17 -0.44 0.00 -2.87 0.00 0.00 58.31 53.94 2ka6 n LYS 75 Cb 0.17 -1.12 -0.02 0.00 -1.84 0.00 0.00 35.03 32.22 2ka6 n LYS 75 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2ka6 h PRO 77 N 3.23 0.00 -6.47 0.00 0.13 -1.94 -3.44 132.00 123.51 2ka6 h PRO 77 Ca -0.45 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.15 2ka6 h PRO 77 Cb 1.29 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.43 2ka6 h PRO 77 CO 0.68 0.21 0.74 0.08 -0.23 0.00 0.00 178.00 179.49 2ka6 s VAL 78 N -3.91 3.56 0.26 1.56 1.01 -1.26 -4.89 120.40 116.72 2ka6 s VAL 78 Ca -0.01 1.07 -0.01 0.00 0.00 0.00 0.00 61.98 63.02 2ka6 s VAL 78 Cb 0.12 -3.68 0.08 0.00 0.00 0.00 0.00 36.38 32.89 2ka6 s VAL 78 CO 0.63 0.05 1.72 1.55 0.00 0.00 0.00 175.10 179.05 2ka6 h PRO 79 N 7.20 0.68 0.00 2.72 0.13 -1.98 -3.17 132.00 137.58 2ka6 h PRO 79 Ca -0.40 -0.23 -0.17 0.00 -0.87 0.00 0.00 66.00 64.33 2ka6 h PRO 79 Cb 1.20 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 2ka6 h PRO 79 CO 0.87 0.79 -0.81 0.74 -0.23 0.00 0.00 178.00 179.36 2ka6 h PHE 80 N 0.62 0.00 -0.49 1.56 0.04 -1.97 -3.32 116.94 113.38 2ka6 h PHE 80 Ca 0.10 0.00 0.09 0.00 2.80 0.00 0.00 57.97 60.97 2ka6 h PHE 80 Cb 0.59 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 38.66 2ka6 h PHE 80 CO 0.03 0.81 0.04 0.00 -0.60 0.00 0.00 178.31 178.58 2ka6 h LEU 82 N 0.16 -1.13 -0.97 0.00 4.07 -1.70 0.16 115.31 115.90 2ka6 h LEU 82 Ca 0.25 0.04 0.17 0.00 0.08 0.00 0.00 57.88 58.42 2ka6 h LEU 82 Cb 0.36 0.29 -0.10 0.00 1.08 0.00 0.00 40.66 42.29 2ka6 h LEU 82 CO -0.38 -0.80 0.58 0.78 -1.08 0.00 0.00 178.44 177.54 2ka6 h ASN 83 N -1.33 0.76 0.24 -0.43 2.35 -1.57 -0.48 115.58 115.13 2ka6 h ASN 83 Ca -0.14 0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 2ka6 h ASN 83 Cb 1.02 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.34 2ka6 h ASN 83 CO 0.22 0.30 -0.12 0.40 -1.65 0.00 0.00 177.43 176.59 2ka6 h ILE 84 N 0.78 0.27 -0.88 2.81 2.04 -0.81 -3.22 117.51 118.50 2ka6 h ILE 84 Ca 0.54 -0.88 0.08 0.00 1.00 0.00 0.00 64.86 65.60 2ka6 h ILE 84 Cb 0.78 0.47 -0.06 0.00 -0.74 0.00 0.00 36.82 37.27 2ka6 h ILE 84 CO -0.36 0.08 0.57 0.07 0.00 0.00 0.00 178.15 178.51 2ka6 h LYS 85 N -1.04 0.91 -0.95 2.37 2.10 -0.77 0.03 116.57 119.23 2ka6 h LYS 85 Ca -0.03 -0.05 0.07 0.00 -2.00 0.00 0.00 60.65 58.63 2ka6 h LYS 85 Cb 0.37 -0.21 -0.06 0.00 -0.90 0.00 0.00 32.23 31.44 2ka6 h LYS 85 CO 0.05 0.60 0.62 0.45 -2.00 0.00 0.00 179.45 179.17 2ka6 h HIS 86 N 0.94 1.11 0.00 0.07 3.86 -1.22 -0.71 115.15 119.21 2ka6 h HIS 86 Ca 0.39 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.57 2ka6 h HIS 86 Cb 0.29 -0.37 0.00 0.00 1.06 0.00 0.00 27.41 28.40 2ka6 h HIS 86 CO -0.00 0.58 -0.23 -0.22 0.86 0.00 0.00 177.93 178.92 2ka6 h LYS 87 N 1.09 0.15 -0.56 2.45 3.64 -1.22 -3.30 116.57 118.82 2ka6 h LYS 87 Ca 0.41 -0.16 -0.00 0.00 -1.27 0.00 0.00 60.65 59.62 2ka6 h LYS 87 Cb 0.19 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 2ka6 h LYS 87 CO -0.16 0.92 0.33 -0.07 -2.27 0.00 0.00 179.45 178.21 2ka6 h LEU 88 N -0.56 0.67 -1.31 5.20 3.38 -0.76 -2.74 115.31 119.19 2ka6 h LEU 88 Ca -0.03 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.90 2ka6 h LEU 88 Cb 1.01 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 2ka6 h LEU 88 CO 0.04 0.53 0.48 0.03 0.09 0.00 0.00 178.44 179.61 2ka6 h ARG 89 N 0.75 0.90 0.00 1.13 2.47 -1.29 -2.36 114.38 115.98 2ka6 h ARG 89 Ca 0.20 -0.05 -0.07 0.00 -1.26 0.00 0.00 59.98 58.79 2ka6 h ARG 89 Cb -0.01 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.09 2ka6 h ARG 89 CO -0.04 0.60 -0.35 1.96 0.56 0.00 0.00 179.97 182.70 2ka6 h GLN 90 N 0.93 0.00 0.00 0.04 1.08 -1.57 -3.16 115.11 112.43 2ka6 h GLN 90 Ca 0.28 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.41 2ka6 h GLN 90 Cb -0.03 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.39 2ka6 h GLN 90 CO -0.07 0.35 -0.32 1.96 -0.95 0.00 0.00 178.83 179.80 2ka6 h GLN 91 N 0.00 0.00 0.00 1.46 4.20 -1.23 -3.52 115.11 116.02 2ka6 h GLN 91 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2ka6 h GLN 91 Cb 0.86 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.64 2ka6 h GLN 91 CO 0.05 0.32 0.00 1.04 -0.67 0.00 0.00 178.83 179.57