#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 0.14 1.43 -0.04 -1.26 -2.10 135.00 133.17 2ka6 n PRO 2 Ca 0.00 0.47 -0.00 0.00 -0.04 0.00 0.00 63.50 63.92 2ka6 n PRO 2 Cb 0.00 -1.28 0.18 0.00 -0.04 0.00 0.00 33.50 32.36 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 -0.77 0.54 4.20 -2.06 -3.21 115.11 113.82 2ka6 h GLN 3 Ca 0.00 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.72 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 0.60 0.50 0.93 -0.67 0.00 0.00 178.83 180.19 2ka6 h GLU 4 N 0.00 1.01 -0.60 1.46 4.39 -1.99 -0.82 114.58 118.03 2ka6 h GLU 4 Ca -0.01 -0.06 0.10 0.00 0.34 0.00 0.00 59.36 59.73 2ka6 h GLU 4 Cb 1.11 -0.23 -0.04 0.00 -0.10 0.00 0.00 28.75 29.50 2ka6 h GLU 4 CO 0.08 0.67 0.41 0.77 -1.16 0.00 0.00 179.01 179.78 2ka6 h SER 5 N 1.04 0.35 0.00 1.42 0.02 -1.42 0.54 113.55 115.51 2ka6 h SER 5 Ca 0.28 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.23 2ka6 h SER 5 Cb -0.12 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.36 2ka6 h SER 5 CO -0.06 0.21 -0.02 0.03 -1.14 0.00 0.00 176.83 175.85 2ka6 h ARG 6 N 0.39 0.01 -0.45 3.45 3.08 -1.48 -3.11 114.38 116.27 2ka6 h ARG 6 Ca 0.28 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.38 2ka6 h ARG 6 Cb 0.58 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.58 2ka6 h ARG 6 CO -0.08 0.92 0.15 0.00 -1.07 0.00 0.00 179.97 179.89 2ka6 h ARG 7 N -0.89 0.31 -0.29 0.04 3.08 -0.59 0.21 114.38 116.25 2ka6 h ARG 7 Ca -0.00 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.94 2ka6 h ARG 7 Cb 0.92 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.89 2ka6 h ARG 7 CO 0.00 0.21 -0.18 -0.07 -1.07 0.00 0.00 179.97 178.86 2ka6 h LEU 8 N 0.32 0.52 -0.30 3.04 3.38 -1.08 -2.35 115.31 118.85 2ka6 h LEU 8 Ca 0.21 -0.16 -0.16 0.00 0.09 0.00 0.00 57.88 57.86 2ka6 h LEU 8 Cb 0.22 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 2ka6 h LEU 8 CO -0.22 0.72 -0.44 0.28 0.09 0.00 0.00 178.44 178.87 2ka6 h SER 9 N 0.48 0.91 -0.85 -0.43 0.02 -1.32 -3.03 113.55 109.32 2ka6 h SER 9 Ca 0.08 -0.51 0.05 0.00 -0.84 0.00 0.00 61.79 60.58 2ka6 h SER 9 Cb 0.59 -0.26 -0.06 0.00 0.14 0.00 0.00 62.40 62.81 2ka6 h SER 9 CO 0.04 1.24 0.53 0.40 -1.14 0.00 0.00 176.83 177.90 2ka6 h ILE 10 N 0.60 1.06 -0.74 3.27 2.04 -0.76 -1.16 117.51 121.83 2ka6 h ILE 10 Ca 0.03 -0.34 0.02 0.00 1.00 0.00 0.00 64.86 65.57 2ka6 h ILE 10 Cb 1.04 -0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 2ka6 h ILE 10 CO 0.10 0.18 0.49 1.56 0.00 0.00 0.00 178.15 180.48 2ka6 h GLN 11 N 0.98 0.93 -0.55 2.37 1.08 -1.38 -0.09 115.11 118.45 2ka6 h GLN 11 Ca 0.36 -0.06 -0.08 0.00 -1.45 0.00 0.00 58.65 57.43 2ka6 h GLN 11 Cb 0.13 -0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 27.33 2ka6 h GLN 11 CO -0.16 0.62 0.03 0.00 -0.95 0.00 0.00 178.83 178.37 2ka6 h ARG 12 N 0.96 0.96 -0.58 1.46 2.47 -1.12 -1.55 114.38 116.99 2ka6 h ARG 12 Ca 0.28 -0.29 -0.04 0.00 -1.26 0.00 0.00 59.98 58.67 2ka6 h ARG 12 Cb -0.05 -0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.15 2ka6 h ARG 12 CO -0.07 0.95 0.22 0.00 0.56 0.00 0.00 179.97 181.63 2ka6 h ILE 14 N 0.80 0.92 -0.90 0.00 2.04 -0.86 0.07 117.51 119.58 2ka6 h ILE 14 Ca 0.19 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 66.05 2ka6 h ILE 14 Cb 0.22 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 2ka6 h ILE 14 CO -0.01 0.01 0.59 1.56 0.00 0.00 0.00 178.15 180.29 2ka6 h GLN 15 N 0.03 1.19 -0.57 2.37 1.08 -1.13 -0.56 115.11 117.53 2ka6 h GLN 15 Ca 0.05 -0.08 -0.10 0.00 -1.45 0.00 0.00 58.65 57.08 2ka6 h GLN 15 Cb 0.06 -0.26 -0.02 0.00 -0.05 0.00 0.00 27.48 27.21 2ka6 h GLN 15 CO -0.09 0.80 -0.02 0.77 -0.95 0.00 0.00 178.83 179.33 2ka6 h SER 16 N 1.22 1.00 -0.38 1.46 0.02 -0.66 -0.19 113.55 116.02 2ka6 h SER 16 Ca 0.33 -0.32 -0.10 0.00 -0.84 0.00 0.00 61.79 60.86 2ka6 h SER 16 Cb -0.12 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.14 2ka6 h SER 16 CO -0.07 1.07 -0.17 0.25 -1.14 0.00 0.00 176.83 176.77 2ka6 h LEU 17 N 0.90 0.81 -0.56 5.07 5.85 -0.68 -1.09 115.31 125.61 2ka6 h LEU 17 Ca 0.16 -0.40 0.03 0.00 0.84 0.00 0.00 57.88 58.51 2ka6 h LEU 17 Cb 0.57 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 2ka6 h LEU 17 CO 0.03 1.03 0.34 0.58 -0.34 0.00 0.00 178.44 180.08 2ka6 h VAL 18 N 0.59 1.06 0.38 1.05 2.07 -0.99 -0.08 116.25 120.32 2ka6 h VAL 18 Ca 0.09 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 2ka6 h VAL 18 Cb 0.72 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 2ka6 h VAL 18 CO 0.05 0.12 -0.21 -0.74 0.02 0.00 0.00 177.57 176.82 2ka6 h HIS 19 N 0.67 -0.55 -0.63 1.57 -0.00 -0.93 -2.96 115.15 112.31 2ka6 h HIS 19 Ca 0.23 -0.01 0.10 0.00 -0.00 0.00 0.00 60.37 60.68 2ka6 h HIS 19 Cb 0.03 0.19 -0.04 0.00 -0.00 0.00 0.00 27.41 27.59 2ka6 h HIS 19 CO -0.06 -0.33 0.42 0.00 -0.00 0.00 0.00 177.93 177.96 2ka6 h ALA 20 N 0.06 1.96 0.00 5.26 0.00 -0.85 0.11 119.26 125.80 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 0.44 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2ka6 h ALA 20 CO 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.21 2ka6 n GLN 22 N -1.92 1.81 -0.99 0.00 6.02 -0.38 -4.91 117.38 117.01 2ka6 n GLN 22 Ca 0.02 -0.01 -0.30 0.00 -0.01 0.00 0.00 57.00 56.70 2ka6 n GLN 22 Cb 0.17 -1.05 0.16 0.00 1.02 0.00 0.00 30.24 30.53 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 -4.09 3.18 -1.86 0.00 1.74 -1.26 -4.97 116.66 109.40 2ka6 n ARG 24 Ca 0.08 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.73 2ka6 n ARG 24 Cb 0.54 -0.41 -0.03 0.00 -1.02 0.00 0.00 32.46 31.54 2ka6 n ARG 24 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2ka6 s ASN 25 N -0.48 6.54 0.54 0.55 0.01 -1.26 -4.90 114.94 115.93 2ka6 s ASN 25 Ca 0.00 2.40 0.20 0.00 -0.71 0.00 0.00 52.86 54.75 2ka6 s ASN 25 Cb 0.00 -2.53 1.42 0.00 0.41 0.00 0.00 41.25 40.55 2ka6 s ASN 25 CO 0.00 -1.01 2.17 0.00 -1.51 0.00 0.00 177.10 176.75 2ka6 h ALA 26 N 10.16 1.85 -1.79 0.60 0.00 -2.02 -3.23 119.26 124.83 2ka6 h ALA 26 Ca -0.44 -0.01 -0.45 0.00 0.00 0.00 0.00 54.91 54.01 2ka6 h ALA 26 Cb 1.20 -0.00 -0.39 0.00 0.00 0.00 0.00 17.79 18.61 2ka6 h ALA 26 CO 0.95 0.01 -1.16 0.09 0.00 0.00 0.00 179.25 179.14 2ka6 n ASN 27 N -4.33 0.73 -4.48 0.00 3.02 -1.26 -4.97 115.26 103.97 2ka6 n ASN 27 Ca -0.03 -3.01 -0.38 0.00 -0.03 0.00 0.00 54.58 51.13 2ka6 n ASN 27 Cb 0.09 -0.48 0.04 0.00 -0.61 0.00 0.00 39.78 38.82 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 0.35 0.00 -3.37 0.00 4.64 -2.01 -3.42 113.55 109.74 2ka6 h SER 29 Ca -0.45 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.32 2ka6 h SER 29 Cb 1.39 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.45 2ka6 h SER 29 CO 0.48 0.00 0.32 -0.76 -0.87 0.00 0.00 176.83 176.00 2ka6 s LEU 30 N -5.00 4.33 0.24 5.97 1.43 -1.26 -4.98 118.68 119.41 2ka6 s LEU 30 Ca 0.00 1.48 -0.05 0.00 -1.03 0.00 0.00 54.13 54.53 2ka6 s LEU 30 Cb 0.09 -3.41 0.25 0.00 0.03 0.00 0.00 46.19 43.14 2ka6 s LEU 30 CO 0.36 -0.25 1.78 1.55 0.23 0.00 0.00 176.35 180.02 2ka6 h PRO 31 N 6.87 1.04 -0.14 1.29 0.13 -2.01 -3.10 132.00 136.07 2ka6 h PRO 31 Ca -0.39 -0.21 -0.14 0.00 -0.87 0.00 0.00 66.00 64.38 2ka6 h PRO 31 Cb 1.20 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.18 2ka6 h PRO 31 CO 0.77 0.89 -0.47 1.03 -0.23 0.00 0.00 178.00 179.99 2ka6 h SER 32 N 1.00 0.67 -0.63 1.44 0.87 -1.95 -3.18 113.55 111.76 2ka6 h SER 32 Ca 0.22 -0.60 0.13 0.00 -1.23 0.00 0.00 61.79 60.31 2ka6 h SER 32 Cb 0.29 -0.19 -0.11 0.00 -0.44 0.00 0.00 62.40 61.95 2ka6 h SER 32 CO -0.01 1.15 -0.05 0.00 -0.53 0.00 0.00 176.83 177.40 2ka6 h GLN 34 N 0.08 1.19 -0.13 0.00 4.20 -1.61 -1.32 115.11 117.52 2ka6 h GLN 34 Ca 0.33 -0.07 -0.09 0.00 0.06 0.00 0.00 58.65 58.88 2ka6 h GLN 34 Cb 0.53 -0.27 0.00 0.00 0.30 0.00 0.00 27.48 28.04 2ka6 h GLN 34 CO -0.58 0.79 -0.26 -0.22 -0.67 0.00 0.00 178.83 177.89 2ka6 h LYS 35 N 1.22 0.40 -1.01 1.46 3.64 -0.99 -2.88 116.57 118.43 2ka6 h LYS 35 Ca 0.41 -0.26 0.04 0.00 -1.27 0.00 0.00 60.65 59.56 2ka6 h LYS 35 Cb 0.06 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 31.85 2ka6 h LYS 35 CO -0.14 0.86 0.66 0.52 -2.27 0.00 0.00 179.45 179.08 2ka6 h MET 36 N -0.00 1.24 -0.28 1.90 2.86 -0.27 0.51 114.93 120.89 2ka6 h MET 36 Ca 0.00 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 2ka6 h MET 36 Cb 0.85 -0.28 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 2ka6 h MET 36 CO 0.06 0.82 0.11 0.87 1.06 0.00 0.00 176.91 179.83 2ka6 h LYS 37 N 1.27 0.41 -0.61 1.72 1.57 -1.27 -0.44 116.57 119.23 2ka6 h LYS 37 Ca 0.40 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 59.05 2ka6 h LYS 37 Cb 0.00 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 2ka6 h LYS 37 CO -0.13 0.44 0.16 0.00 -0.57 0.00 0.00 179.45 179.35 2ka6 h ARG 38 N 0.30 0.94 0.47 3.15 3.08 -1.15 -1.21 114.38 119.95 2ka6 h ARG 38 Ca 0.09 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 2ka6 h ARG 38 Cb 0.18 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.09 2ka6 h ARG 38 CO -0.01 0.82 -0.23 0.28 -1.07 0.00 0.00 179.97 179.77 2ka6 h VAL 39 N 0.90 0.48 -0.76 2.04 2.07 -0.78 -1.16 116.25 119.05 2ka6 h VAL 39 Ca 0.20 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 2ka6 h VAL 39 Cb 0.30 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 2ka6 h VAL 39 CO -0.00 0.05 0.35 1.62 0.02 0.00 0.00 177.57 179.61 2ka6 h VAL 40 N -0.85 1.25 -0.75 2.57 3.04 -1.03 -2.17 116.25 118.30 2ka6 h VAL 40 Ca -0.06 -0.71 0.04 0.00 -1.01 0.00 0.00 66.70 64.96 2ka6 h VAL 40 Cb 0.57 0.31 -0.05 0.00 -2.01 0.00 0.00 31.29 30.11 2ka6 h VAL 40 CO 0.11 0.30 0.46 1.56 -1.01 0.00 0.00 177.57 178.99 2ka6 h GLN 41 N 1.07 0.85 0.48 4.17 1.08 -1.23 0.58 115.11 122.11 2ka6 h GLN 41 Ca 0.26 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.39 2ka6 h GLN 41 Cb 0.14 -0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 27.37 2ka6 h GLN 41 CO -0.03 0.56 -0.28 1.25 -0.95 0.00 0.00 178.83 179.38 2ka6 h HIS 42 N 0.88 -0.74 -0.95 2.96 2.76 -0.85 -3.07 115.15 116.15 2ka6 h HIS 42 Ca 0.32 -0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.51 2ka6 h HIS 42 Cb 0.09 0.26 -0.05 0.00 1.55 0.00 0.00 27.41 29.26 2ka6 h HIS 42 CO -0.04 -0.44 0.62 1.15 -1.30 0.00 0.00 177.93 177.92 2ka6 h THR 43 N -0.72 1.18 0.00 6.26 2.02 -1.00 0.37 112.91 121.03 2ka6 h THR 43 Ca -0.06 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 66.71 2ka6 h THR 43 Cb 0.58 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.86 2ka6 h THR 43 CO 0.07 0.22 0.00 0.11 0.37 0.00 0.00 175.52 176.29 2ka6 h LYS 44 N 1.21 0.00 0.00 6.66 1.57 -0.81 -3.02 116.57 122.18 2ka6 h LYS 44 Ca 0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 2ka6 h LYS 44 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.28 2ka6 h LYS 44 CO -0.10 0.00 -0.09 0.41 -0.57 0.00 0.00 179.45 179.09 2ka6 n GLY 45 N -1.18 0.89 3.78 3.86 0.00 -0.69 -5.08 105.19 106.77 2ka6 n GLY 45 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.59 1.71 -0.05 0.00 4.76 -1.26 -4.81 118.16 116.92 2ka6 n LYS 47 Ca 0.11 -1.21 -0.05 0.00 -2.87 0.00 0.00 58.31 54.28 2ka6 n LYS 47 Cb 0.52 -1.02 -0.02 0.00 -1.84 0.00 0.00 35.03 32.67 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 -0.27 0.30 0.00 1.97 1.74 -1.26 -4.90 116.66 114.25 2ka6 n ARG 48 Ca 0.01 0.14 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 2ka6 n ARG 48 Cb 0.18 -1.06 0.00 0.00 -1.02 0.00 0.00 32.46 30.57 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 -3.63 0.00 -0.15 5.56 0.00 -1.26 -0.80 118.16 117.88 2ka6 n LYS 49 Ca -0.08 0.00 0.20 0.00 -0.00 0.00 0.00 58.31 58.43 2ka6 n LYS 49 Cb 0.29 0.00 0.59 0.00 -0.00 0.00 0.00 35.03 35.90 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 0.00 0.71 0.00 0.58 1.35 -1.92 0.22 112.91 113.85 2ka6 h THR 50 Ca 0.00 -0.09 -0.12 0.00 -0.55 0.00 0.00 66.41 65.65 2ka6 h THR 50 Cb 0.00 0.44 -0.02 0.00 -1.73 0.00 0.00 68.15 66.84 2ka6 h THR 50 CO 0.00 0.05 -0.59 0.78 -0.25 0.00 0.00 175.52 175.51 2ka6 h ASN 51 N 0.25 0.00 0.02 5.36 2.35 -1.96 -3.33 115.58 118.27 2ka6 h ASN 51 Ca 0.38 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.96 2ka6 h ASN 51 Cb 1.11 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.45 2ka6 h ASN 51 CO -0.09 0.59 -2.16 0.61 -1.65 0.00 0.00 177.43 174.73 2ka6 n GLY 52 N 1.10 -1.01 0.00 2.83 0.00 0.02 -5.03 105.19 103.11 2ka6 n GLY 52 Ca 0.01 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 1.48 1.44 3.69 -0.02 0.00 -0.05 -4.96 105.19 106.77 2ka6 n GLY 53 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 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 8.47 0.00 0.57 0.00 0.13 -1.99 -3.27 132.00 135.92 2ka6 h PRO 55 Ca -0.45 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.65 2ka6 h PRO 55 Cb 1.21 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.35 2ka6 h PRO 55 CO 0.94 0.68 -0.28 0.28 -0.23 0.00 0.00 178.00 179.39 2ka6 h VAL 56 N 0.00 0.03 -0.48 1.56 2.07 -1.98 -3.07 116.25 114.39 2ka6 h VAL 56 Ca -0.01 -0.44 0.08 0.00 0.82 0.00 0.00 66.70 67.16 2ka6 h VAL 56 Cb 1.31 0.05 -0.10 0.00 -1.52 0.00 0.00 31.29 31.03 2ka6 h VAL 56 CO 0.09 0.01 -0.38 0.00 0.02 0.00 0.00 177.57 177.31 2ka6 h LYS 58 N -0.25 0.06 -0.52 0.00 3.64 -1.68 -1.92 116.57 115.90 2ka6 h LYS 58 Ca 0.18 -0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.47 2ka6 h LYS 58 Cb 0.56 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 2ka6 h LYS 58 CO -0.61 0.04 -0.01 0.37 -2.27 0.00 0.00 179.45 176.97 2ka6 h GLN 59 N 0.06 0.92 -0.23 1.90 5.75 -1.02 -2.91 115.11 119.59 2ka6 h GLN 59 Ca 0.22 -0.30 -0.01 0.00 -0.15 0.00 0.00 58.65 58.41 2ka6 h GLN 59 Cb 0.81 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 29.27 2ka6 h GLN 59 CO -0.02 0.95 0.09 -0.07 -2.65 0.00 0.00 178.83 177.14 2ka6 h LEU 60 N 0.79 0.31 -0.64 -2.39 4.07 -1.24 -3.02 115.31 113.18 2ka6 h LEU 60 Ca 0.14 -0.16 0.10 0.00 0.08 0.00 0.00 57.88 58.05 2ka6 h LEU 60 Cb 0.55 -0.08 -0.08 0.00 1.08 0.00 0.00 40.66 42.13 2ka6 h LEU 60 CO 0.03 0.38 0.24 0.40 -1.08 0.00 0.00 178.44 178.42 2ka6 h ILE 61 N 0.22 0.75 0.23 1.22 1.08 -1.41 0.14 117.51 119.74 2ka6 h ILE 61 Ca 0.08 -0.14 -0.01 0.00 -0.39 0.00 0.00 64.86 64.39 2ka6 h ILE 61 Cb 0.17 0.29 -0.00 0.00 -3.07 0.00 0.00 36.82 34.20 2ka6 h ILE 61 CO -0.01 0.08 -0.14 0.00 -0.69 0.00 0.00 178.15 177.39 2ka6 h ALA 62 N 1.45 -0.34 -0.98 1.87 0.00 -1.48 0.15 119.26 119.93 2ka6 h ALA 62 Ca 0.33 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.25 2ka6 h ALA 62 Cb 0.43 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 2ka6 h ALA 62 CO -0.33 -0.70 0.63 1.25 0.00 0.00 0.00 179.25 180.10 2ka6 h LEU 63 N -0.35 0.98 -0.20 0.00 6.46 -1.30 -1.61 115.31 119.28 2ka6 h LEU 63 Ca -0.02 0.02 -0.22 0.00 -0.12 0.00 0.00 57.88 57.53 2ka6 h LEU 63 Cb 0.29 -0.19 0.01 0.00 -0.73 0.00 0.00 40.66 40.04 2ka6 h LEU 63 CO 0.03 0.60 -0.83 0.00 -0.62 0.00 0.00 178.44 177.62 2ka6 h TYR 66 N 0.33 0.36 0.00 0.00 5.03 -1.37 -2.66 116.97 118.67 2ka6 h TYR 66 Ca 0.10 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.41 2ka6 h TYR 66 Cb 0.03 -0.12 -0.00 0.00 1.55 0.00 0.00 36.73 38.19 2ka6 h TYR 66 CO -0.04 0.20 -0.12 1.25 -1.32 0.00 0.00 178.16 178.14 2ka6 h HIS 67 N 0.37 0.00 -1.01 -3.82 2.76 -1.30 -3.39 115.15 108.75 2ka6 h HIS 67 Ca 0.18 0.00 0.24 0.00 -2.20 0.00 0.00 60.37 58.59 2ka6 h HIS 67 Cb 0.24 0.00 -0.10 0.00 1.55 0.00 0.00 27.41 29.10 2ka6 h HIS 67 CO -0.00 0.22 0.63 0.00 -1.30 0.00 0.00 177.93 177.49 2ka6 h ALA 68 N -0.81 2.01 0.22 5.26 0.00 -0.60 -0.48 119.26 124.85 2ka6 h ALA 68 Ca -0.01 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2ka6 h ALA 68 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2ka6 h ALA 68 CO -0.01 -0.42 -0.11 1.57 0.00 0.00 0.00 179.25 180.28 2ka6 h LYS 69 N 0.51 -0.29 0.00 0.00 2.10 -1.68 -2.99 116.57 114.22 2ka6 h LYS 69 Ca 0.60 0.02 0.00 0.00 -2.00 0.00 0.00 60.65 59.27 2ka6 h LYS 69 Cb 1.30 0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.69 2ka6 h LYS 69 CO -0.35 -0.19 0.00 0.72 -2.00 0.00 0.00 179.45 177.62 2ka6 n HIS 70 N -5.22 0.72 -0.70 0.07 8.25 -0.90 -4.92 115.22 112.52 2ka6 n HIS 70 Ca -0.09 0.21 -0.31 0.00 -0.26 0.00 0.00 57.72 57.27 2ka6 n HIS 70 Cb 0.14 -0.85 0.17 0.00 1.12 0.00 0.00 29.99 30.57 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 -4.27 0.57 -4.35 0.00 1.13 -1.26 -5.02 117.38 104.18 2ka6 n GLN 72 Ca 0.11 -0.63 -0.19 0.00 -1.94 0.00 0.00 57.00 54.36 2ka6 n GLN 72 Cb 0.52 -0.64 -0.10 0.00 0.11 0.00 0.00 30.24 30.13 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 -0.22 1.35 0.00 -1.09 -1.05 -1.26 -5.05 118.70 111.38 2ka6 s GLU 73 Ca 0.00 -1.62 0.12 0.00 -0.15 0.00 0.00 54.97 53.32 2ka6 s GLU 73 Cb 0.00 -1.08 0.29 0.00 -0.44 0.00 0.00 34.13 32.90 2ka6 s GLU 73 CO 0.00 0.15 1.20 0.27 0.95 0.00 0.00 175.26 177.82 2ka6 n ASN 74 N -0.40 2.81 -0.02 0.83 6.94 -1.26 -4.47 115.26 119.68 2ka6 n ASN 74 Ca -0.08 -1.90 0.01 0.00 -0.02 0.00 0.00 54.58 52.59 2ka6 n ASN 74 Cb 0.61 -0.20 0.01 0.00 -2.36 0.00 0.00 39.78 37.84 2ka6 n ASN 74 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2ka6 n LYS 75 N 0.62 1.95 -1.56 -3.83 5.02 -1.26 -5.04 118.16 114.06 2ka6 n LYS 75 Ca 0.12 -1.29 -0.46 0.00 -2.02 0.00 0.00 58.31 54.65 2ka6 n LYS 75 Cb 0.41 -0.88 -0.02 0.00 -0.02 0.00 0.00 35.03 34.52 2ka6 n LYS 75 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ka6 h PRO 77 N 2.21 0.00 -6.58 0.00 0.13 -1.93 -3.45 132.00 122.39 2ka6 h PRO 77 Ca -0.39 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.21 2ka6 h PRO 77 Cb 1.35 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.51 2ka6 h PRO 77 CO 0.63 0.18 0.73 0.08 -0.23 0.00 0.00 178.00 179.38 2ka6 s VAL 78 N -3.76 3.22 0.21 1.56 1.01 -1.26 -4.89 120.40 116.48 2ka6 s VAL 78 Ca -0.00 0.89 -0.06 0.00 0.00 0.00 0.00 61.98 62.82 2ka6 s VAL 78 Cb 0.11 -3.57 0.06 0.00 0.00 0.00 0.00 36.38 32.98 2ka6 s VAL 78 CO 0.61 0.08 1.66 1.55 0.00 0.00 0.00 175.10 179.01 2ka6 h PRO 79 N 6.55 0.90 0.00 2.72 0.13 -1.98 -3.25 132.00 137.07 2ka6 h PRO 79 Ca -0.43 -0.31 -0.11 0.00 -0.87 0.00 0.00 66.00 64.29 2ka6 h PRO 79 Cb 1.21 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 2ka6 h PRO 79 CO 0.85 0.95 -0.77 0.74 -0.23 0.00 0.00 178.00 179.54 2ka6 h PHE 80 N 0.81 0.00 -0.35 1.56 0.04 -1.97 -3.37 116.94 113.67 2ka6 h PHE 80 Ca 0.14 0.00 0.07 0.00 2.80 0.00 0.00 57.97 60.97 2ka6 h PHE 80 Cb 0.61 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 38.67 2ka6 h PHE 80 CO 0.04 0.45 -0.39 0.00 -0.60 0.00 0.00 178.31 177.80 2ka6 h LEU 82 N -0.34 0.38 -1.13 0.00 -0.00 -1.75 0.35 115.31 112.82 2ka6 h LEU 82 Ca 0.14 -0.16 0.07 0.00 -0.00 0.00 0.00 57.88 57.93 2ka6 h LEU 82 Cb 0.58 -0.10 -0.06 0.00 -0.00 0.00 0.00 40.66 41.08 2ka6 h LEU 82 CO -0.53 0.44 0.60 0.78 -0.00 0.00 0.00 178.44 179.72 2ka6 h ASN 83 N 0.30 0.90 0.01 -0.43 2.35 -1.58 -1.18 115.58 115.95 2ka6 h ASN 83 Ca 0.09 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 2ka6 h ASN 83 Cb 0.17 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2ka6 h ASN 83 CO -0.01 0.56 -0.10 0.40 -1.65 0.00 0.00 177.43 176.63 2ka6 h ILE 84 N 1.01 1.68 -0.61 2.81 2.04 -0.88 -3.33 117.51 120.24 2ka6 h ILE 84 Ca 0.41 -2.14 0.12 0.00 1.00 0.00 0.00 64.86 64.25 2ka6 h ILE 84 Cb 0.26 3.12 -0.10 0.00 -0.74 0.00 0.00 36.82 39.36 2ka6 h ILE 84 CO -0.16 0.57 0.01 0.50 0.00 0.00 0.00 178.15 179.06 2ka6 h LYS 85 N -0.81 0.12 -0.89 2.37 3.64 -0.70 -1.23 116.57 119.08 2ka6 h LYS 85 Ca -0.02 -0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.45 2ka6 h LYS 85 Cb 0.98 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.70 2ka6 h LYS 85 CO 0.02 0.08 0.54 0.45 -2.27 0.00 0.00 179.45 178.27 2ka6 h HIS 86 N 0.13 0.98 -0.27 1.91 3.86 -1.37 0.38 115.15 120.78 2ka6 h HIS 86 Ca 0.32 0.03 -0.19 0.00 -1.16 0.00 0.00 60.37 59.36 2ka6 h HIS 86 Cb 0.51 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 28.67 2ka6 h HIS 86 CO -0.35 0.43 -0.59 0.87 0.86 0.00 0.00 177.93 179.14 2ka6 h LYS 87 N 0.91 0.87 0.17 2.45 1.57 -1.38 -3.29 116.57 117.88 2ka6 h LYS 87 Ca 0.42 -0.58 -0.31 0.00 -1.87 0.00 0.00 60.65 58.30 2ka6 h LYS 87 Cb 0.33 0.08 0.03 0.00 0.08 0.00 0.00 32.23 32.75 2ka6 h LYS 87 CO -0.23 1.21 -1.34 -0.07 -0.57 0.00 0.00 179.45 178.45 2ka6 h LEU 88 N 0.65 0.85 -1.74 2.94 4.07 -0.94 -3.34 115.31 117.80 2ka6 h LEU 88 Ca 0.00 -0.84 -0.01 0.00 0.08 0.00 0.00 57.88 57.12 2ka6 h LEU 88 Cb 1.21 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 42.67 2ka6 h LEU 88 CO 0.13 1.64 0.07 0.03 -1.08 0.00 0.00 178.44 179.23 2ka6 h ARG 89 N 0.22 0.23 -0.01 1.13 2.47 -1.06 -2.33 114.38 115.04 2ka6 h ARG 89 Ca -0.21 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.49 2ka6 h ARG 89 Cb 2.02 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 30.29 2ka6 h ARG 89 CO 0.25 0.20 0.00 0.00 0.56 0.00 0.00 179.97 180.98 2ka6 n GLN 90 N -4.46 1.03 -4.27 0.04 10.64 -1.24 -4.91 117.38 114.21 2ka6 n GLN 90 Ca -0.00 -0.05 -0.17 0.00 -1.83 0.00 0.00 57.00 54.95 2ka6 n GLN 90 Cb 0.12 -1.27 -0.09 0.00 -0.86 0.00 0.00 30.24 28.14 2ka6 n GLN 90 CO 0.00 0.00 0.00 1.14 -1.83 0.00 0.00 177.06 176.37 2ka6 s GLN 91 N -1.99 1.54 0.00 2.61 -2.07 -0.88 -5.12 119.66 113.75 2ka6 s GLN 91 Ca 0.25 -1.87 0.00 0.00 -1.82 0.00 0.00 55.36 51.93 2ka6 s GLN 91 Cb 0.12 0.18 0.00 0.00 -1.09 0.00 0.00 33.01 32.22 2ka6 s GLN 91 CO 0.20 -0.51 0.46 0.94 -1.32 0.00 0.00 175.29 175.05