#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 0.19 1.43 -0.04 -1.26 -2.52 135.00 132.80 2ka6 n PRO 2 Ca 0.00 0.10 0.05 0.00 -0.04 0.00 0.00 63.50 63.61 2ka6 n PRO 2 Cb 0.00 -0.89 0.37 0.00 -0.04 0.00 0.00 33.50 32.94 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 -0.79 0.54 7.50 -2.06 -3.14 115.11 117.17 2ka6 h GLN 3 Ca 0.00 0.00 0.05 0.00 0.50 0.00 0.00 58.65 59.20 2ka6 h GLN 3 Cb 0.00 0.00 -0.05 0.00 0.05 0.00 0.00 27.48 27.48 2ka6 h GLN 3 CO 0.00 0.38 0.49 0.93 -1.50 0.00 0.00 178.83 179.12 2ka6 h GLU 4 N 0.00 0.88 -0.76 1.46 5.08 -2.00 -1.78 114.58 117.47 2ka6 h GLU 4 Ca -0.00 -0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.38 2ka6 h GLU 4 Cb 0.78 -0.20 -0.06 0.00 0.50 0.00 0.00 28.75 29.77 2ka6 h GLU 4 CO 0.05 0.58 0.43 1.03 -1.00 0.00 0.00 179.01 180.11 2ka6 h SER 5 N 0.91 0.64 0.54 1.42 0.87 -1.43 -0.50 113.55 115.99 2ka6 h SER 5 Ca 0.34 0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.91 2ka6 h SER 5 Cb 0.11 -0.09 0.01 0.00 -0.44 0.00 0.00 62.40 61.99 2ka6 h SER 5 CO -0.15 0.39 -0.26 0.03 -0.53 0.00 0.00 176.83 176.31 2ka6 h ARG 6 N 0.77 -0.69 -0.62 2.24 3.08 -1.57 -1.91 114.38 115.66 2ka6 h ARG 6 Ca 0.35 0.05 0.10 0.00 0.07 0.00 0.00 59.98 60.55 2ka6 h ARG 6 Cb 0.26 0.16 -0.08 0.00 0.08 0.00 0.00 29.97 30.39 2ka6 h ARG 6 CO -0.21 -0.40 0.21 0.00 -1.07 0.00 0.00 179.97 178.51 2ka6 h ARG 7 N -0.90 0.37 -0.04 0.04 3.08 -1.06 -1.80 114.38 114.07 2ka6 h ARG 7 Ca -0.07 -0.02 -0.18 0.00 0.07 0.00 0.00 59.98 59.77 2ka6 h ARG 7 Cb 0.62 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 2ka6 h ARG 7 CO 0.12 0.24 -0.78 -0.07 -1.07 0.00 0.00 179.97 178.41 2ka6 h LEU 8 N 0.38 0.35 -0.64 3.04 3.38 -1.16 -3.24 115.31 117.42 2ka6 h LEU 8 Ca 0.32 -0.25 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 2ka6 h LEU 8 Cb 0.43 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2ka6 h LEU 8 CO -0.34 1.00 -0.20 0.28 0.09 0.00 0.00 178.44 179.26 2ka6 h SER 9 N 0.18 0.87 -0.74 -0.43 0.02 -0.81 -3.02 113.55 109.62 2ka6 h SER 9 Ca -0.04 -0.31 0.06 0.00 -0.84 0.00 0.00 61.79 60.66 2ka6 h SER 9 Cb 1.37 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 63.62 2ka6 h SER 9 CO 0.13 1.05 0.48 0.40 -1.14 0.00 0.00 176.83 177.75 2ka6 h ILE 10 N 0.75 1.04 -0.75 3.27 2.04 -1.37 -1.74 117.51 120.75 2ka6 h ILE 10 Ca 0.10 -0.28 0.09 0.00 1.00 0.00 0.00 64.86 65.77 2ka6 h ILE 10 Cb 0.74 0.17 -0.05 0.00 -0.74 0.00 0.00 36.82 36.94 2ka6 h ILE 10 CO 0.06 0.15 0.49 1.56 0.00 0.00 0.00 178.15 180.41 2ka6 h GLN 11 N 0.80 0.68 -0.51 2.37 1.08 -1.57 -0.80 115.11 117.17 2ka6 h GLN 11 Ca 0.31 -0.04 -0.04 0.00 -1.45 0.00 0.00 58.65 57.44 2ka6 h GLN 11 Cb 0.21 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.46 2ka6 h GLN 11 CO -0.10 0.45 0.18 0.00 -0.95 0.00 0.00 178.83 178.41 2ka6 h ARG 12 N 0.70 0.77 -0.61 1.46 2.47 -1.41 -1.66 114.38 116.10 2ka6 h ARG 12 Ca 0.34 -0.15 -0.10 0.00 -1.26 0.00 0.00 59.98 58.80 2ka6 h ARG 12 Cb 0.39 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.57 2ka6 h ARG 12 CO -0.12 0.70 -0.00 0.00 0.56 0.00 0.00 179.97 181.11 2ka6 h ILE 14 N 0.99 0.99 -0.79 0.00 2.04 -0.95 -0.23 117.51 119.56 2ka6 h ILE 14 Ca 0.17 -0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.02 2ka6 h ILE 14 Cb 0.57 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 37.59 2ka6 h ILE 14 CO 0.03 0.00 0.44 1.56 0.00 0.00 0.00 178.15 180.18 2ka6 h GLN 15 N 0.01 1.09 -0.50 2.37 4.20 -1.23 -0.60 115.11 120.44 2ka6 h GLN 15 Ca 0.01 -0.12 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 2ka6 h GLN 15 Cb 0.01 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.55 2ka6 h GLN 15 CO -0.01 0.79 0.23 0.77 -0.67 0.00 0.00 178.83 179.94 2ka6 h SER 16 N 1.10 0.67 -0.32 1.46 0.02 -0.84 -0.11 113.55 115.53 2ka6 h SER 16 Ca 0.28 -0.14 -0.08 0.00 -0.84 0.00 0.00 61.79 61.01 2ka6 h SER 16 Cb 0.01 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 2ka6 h SER 16 CO -0.05 0.62 -0.11 0.25 -1.14 0.00 0.00 176.83 176.41 2ka6 h LEU 17 N 0.67 0.64 -0.62 5.07 5.85 -0.78 -1.49 115.31 124.65 2ka6 h LEU 17 Ca 0.17 -0.38 0.05 0.00 0.84 0.00 0.00 57.88 58.56 2ka6 h LEU 17 Cb 0.14 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 2ka6 h LEU 17 CO -0.02 0.88 0.34 0.58 -0.34 0.00 0.00 178.44 179.88 2ka6 h VAL 18 N 0.40 0.97 0.38 1.05 2.07 -0.99 -0.32 116.25 119.81 2ka6 h VAL 18 Ca 0.08 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 2ka6 h VAL 18 Cb 0.61 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 2ka6 h VAL 18 CO 0.04 0.12 -0.22 -0.74 0.02 0.00 0.00 177.57 176.79 2ka6 h HIS 19 N 0.64 -0.57 -0.70 1.57 -0.00 -0.92 -3.00 115.15 112.17 2ka6 h HIS 19 Ca 0.28 -0.01 0.11 0.00 -0.00 0.00 0.00 60.37 60.75 2ka6 h HIS 19 Cb 0.17 0.20 -0.05 0.00 -0.00 0.00 0.00 27.41 27.73 2ka6 h HIS 19 CO -0.08 -0.34 0.46 0.00 -0.00 0.00 0.00 177.93 177.97 2ka6 h ALA 20 N 0.04 1.98 0.00 5.26 0.00 -0.77 0.73 119.26 126.50 2ka6 h ALA 20 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2ka6 h ALA 20 Cb 0.46 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2ka6 h ALA 20 CO 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.16 2ka6 n GLN 22 N -1.89 1.70 -0.89 0.00 6.02 -0.32 -4.87 117.38 117.13 2ka6 n GLN 22 Ca 0.03 -0.03 -0.30 0.00 -0.01 0.00 0.00 57.00 56.69 2ka6 n GLN 22 Cb 0.19 -1.13 0.16 0.00 1.02 0.00 0.00 30.24 30.49 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 -4.14 3.23 -1.95 0.00 1.74 -1.26 -4.99 116.66 109.28 2ka6 n ARG 24 Ca 0.09 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.75 2ka6 n ARG 24 Cb 0.53 -0.47 -0.03 0.00 -1.02 0.00 0.00 32.46 31.47 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 -0.64 6.61 0.30 0.55 0.01 -1.26 -4.92 114.94 115.59 2ka6 s ASN 25 Ca 0.00 2.54 0.00 0.00 -0.71 0.00 0.00 52.86 54.69 2ka6 s ASN 25 Cb 0.00 -2.58 0.51 0.00 0.41 0.00 0.00 41.25 39.59 2ka6 s ASN 25 CO 0.00 -0.84 1.92 0.00 -1.51 0.00 0.00 177.10 176.67 2ka6 h ALA 26 N 7.41 1.49 -1.67 0.60 0.00 -2.01 -3.31 119.26 121.77 2ka6 h ALA 26 Ca -0.42 -0.03 -0.50 0.00 0.00 0.00 0.00 54.91 53.96 2ka6 h ALA 26 Cb 1.20 -0.28 -0.34 0.00 0.00 0.00 0.00 17.79 18.37 2ka6 h ALA 26 CO 0.92 0.38 -0.98 0.09 0.00 0.00 0.00 179.25 179.66 2ka6 n ASN 27 N -4.48 -0.48 -4.31 0.00 3.02 -1.26 -4.93 115.26 102.82 2ka6 n ASN 27 Ca 0.13 -2.77 -0.34 0.00 -0.03 0.00 0.00 54.58 51.57 2ka6 n ASN 27 Cb 0.18 -0.16 0.09 0.00 -0.61 0.00 0.00 39.78 39.28 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 -1.29 0.00 -3.45 0.00 4.64 -2.01 -3.43 113.55 108.01 2ka6 h SER 29 Ca -0.44 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.35 2ka6 h SER 29 Cb 1.29 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.36 2ka6 h SER 29 CO 0.32 0.03 0.36 -0.76 -0.87 0.00 0.00 176.83 175.91 2ka6 s LEU 30 N -6.51 4.41 0.37 5.97 1.43 -1.26 -4.97 118.68 118.12 2ka6 s LEU 30 Ca -0.02 1.68 0.08 0.00 -1.03 0.00 0.00 54.13 54.84 2ka6 s LEU 30 Cb 0.12 -3.56 0.72 0.00 0.03 0.00 0.00 46.19 43.51 2ka6 s LEU 30 CO 0.50 -0.19 1.89 1.55 0.23 0.00 0.00 176.35 180.33 2ka6 h PRO 31 N 6.42 0.28 -0.01 1.29 0.13 -2.01 -3.12 132.00 134.99 2ka6 h PRO 31 Ca -0.42 -0.07 -0.13 0.00 -0.87 0.00 0.00 66.00 64.51 2ka6 h PRO 31 Cb 1.22 -0.04 0.01 0.00 0.13 0.00 0.00 31.00 32.32 2ka6 h PRO 31 CO 0.74 0.43 -0.51 0.66 -0.23 0.00 0.00 178.00 179.09 2ka6 h SER 32 N 0.27 0.46 -0.71 1.44 4.64 -1.95 -3.32 113.55 114.38 2ka6 h SER 32 Ca 0.05 -0.75 0.15 0.00 -0.47 0.00 0.00 61.79 60.77 2ka6 h SER 32 Cb 0.41 -0.14 -0.11 0.00 -0.31 0.00 0.00 62.40 62.25 2ka6 h SER 32 CO 0.02 1.15 0.14 0.00 -0.87 0.00 0.00 176.83 177.27 2ka6 h GLN 34 N 0.23 0.61 0.13 0.00 4.20 -1.66 -1.92 115.11 116.71 2ka6 h GLN 34 Ca 0.39 -0.04 -0.30 0.00 0.06 0.00 0.00 58.65 58.76 2ka6 h GLN 34 Cb 0.66 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.30 2ka6 h GLN 34 CO -0.51 0.41 -1.55 -0.22 -0.67 0.00 0.00 178.83 176.28 2ka6 h LYS 35 N 0.63 0.27 -0.71 1.46 3.64 -1.14 -3.30 116.57 117.41 2ka6 h LYS 35 Ca 0.42 -0.45 0.05 0.00 -1.27 0.00 0.00 60.65 59.40 2ka6 h LYS 35 Cb 0.73 0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 32.66 2ka6 h LYS 35 CO -0.18 1.22 0.41 0.52 -2.27 0.00 0.00 179.45 179.15 2ka6 h MET 36 N -0.20 0.75 -0.42 1.90 2.86 -0.51 -0.53 114.93 118.78 2ka6 h MET 36 Ca -0.33 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.27 2ka6 h MET 36 Cb 1.84 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 33.31 2ka6 h MET 36 CO 0.07 0.49 0.27 0.87 1.06 0.00 0.00 176.91 179.68 2ka6 h LYS 37 N 0.77 0.53 -0.52 1.72 1.57 -1.52 -1.37 116.57 117.75 2ka6 h LYS 37 Ca 0.31 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 59.01 2ka6 h LYS 37 Cb 0.15 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 2ka6 h LYS 37 CO -0.17 0.35 0.15 0.00 -0.57 0.00 0.00 179.45 179.21 2ka6 h ARG 38 N 0.54 0.78 0.05 3.15 3.08 -1.45 -0.55 114.38 119.99 2ka6 h ARG 38 Ca 0.16 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 2ka6 h ARG 38 Cb -0.04 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 29.88 2ka6 h ARG 38 CO -0.05 0.69 -0.02 0.28 -1.07 0.00 0.00 179.97 179.80 2ka6 h VAL 39 N 0.76 1.14 0.52 2.04 2.07 -0.81 -0.18 116.25 121.79 2ka6 h VAL 39 Ca 0.17 -0.63 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 2ka6 h VAL 39 Cb 0.25 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 2ka6 h VAL 39 CO -0.01 0.16 -0.50 0.58 0.02 0.00 0.00 177.57 177.83 2ka6 h VAL 40 N -0.35 0.00 -0.77 2.57 2.07 -1.12 -1.86 116.25 116.80 2ka6 h VAL 40 Ca -0.01 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.68 2ka6 h VAL 40 Cb 0.31 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.97 2ka6 h VAL 40 CO 0.01 0.00 0.23 1.56 0.02 0.00 0.00 177.57 179.40 2ka6 h GLN 41 N -1.00 0.31 0.65 1.57 1.08 -1.13 -0.17 115.11 116.42 2ka6 h GLN 41 Ca -0.07 -0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.09 2ka6 h GLN 41 Cb 0.86 -0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 28.22 2ka6 h GLN 41 CO -0.05 0.21 -0.39 1.25 -0.95 0.00 0.00 178.83 178.89 2ka6 h HIS 42 N 0.32 -1.03 -0.89 2.96 -0.00 -0.81 -3.11 115.15 112.59 2ka6 h HIS 42 Ca 0.44 -0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.84 2ka6 h HIS 42 Cb 0.76 0.37 -0.05 0.00 -0.00 0.00 0.00 27.41 28.49 2ka6 h HIS 42 CO -0.23 -0.60 0.59 1.15 -0.00 0.00 0.00 177.93 178.84 2ka6 h THR 43 N -0.98 1.15 0.00 6.26 2.02 -0.80 -0.55 112.91 120.01 2ka6 h THR 43 Ca -0.08 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.72 2ka6 h THR 43 Cb 0.79 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 2ka6 h THR 43 CO 0.09 0.20 0.00 0.11 0.37 0.00 0.00 175.52 176.29 2ka6 h LYS 44 N 1.11 0.00 0.00 6.66 1.57 -0.99 -2.87 116.57 122.06 2ka6 h LYS 44 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 2ka6 h LYS 44 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2ka6 h LYS 44 CO -0.11 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.18 2ka6 n GLY 45 N -1.12 -0.08 3.80 3.86 0.00 -0.67 -5.08 105.19 105.90 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 -2.21 0.88 -0.06 0.00 4.76 -1.26 -4.82 118.16 115.45 2ka6 n LYS 47 Ca 0.09 -0.92 -0.05 0.00 -2.87 0.00 0.00 58.31 54.55 2ka6 n LYS 47 Cb 0.53 -0.95 -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 -0.22 0.35 -0.07 1.97 1.74 -1.26 -4.93 116.66 114.23 2ka6 n ARG 48 Ca 0.00 0.26 0.01 0.00 -0.77 0.00 0.00 57.85 57.35 2ka6 n ARG 48 Cb 0.15 -1.24 -0.00 0.00 -1.02 0.00 0.00 32.46 30.34 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 -3.87 -0.14 0.16 5.56 0.00 -1.26 -1.48 118.16 117.13 2ka6 n LYS 49 Ca -0.08 0.09 0.13 0.00 -0.00 0.00 0.00 58.31 58.46 2ka6 n LYS 49 Cb 0.29 -0.17 0.68 0.00 -0.00 0.00 0.00 35.03 35.83 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 -0.07 0.84 0.00 0.58 1.35 -1.92 -0.60 112.91 113.10 2ka6 h THR 50 Ca 0.00 0.00 -0.11 0.00 -0.55 0.00 0.00 66.41 65.75 2ka6 h THR 50 Cb 0.06 0.89 -0.02 0.00 -1.73 0.00 0.00 68.15 67.36 2ka6 h THR 50 CO 0.00 0.00 -0.53 -1.13 -0.25 0.00 0.00 175.52 173.61 2ka6 h ASN 51 N 0.00 0.00 0.00 5.36 -1.24 -1.96 -3.35 115.58 114.39 2ka6 h ASN 51 Ca 0.10 0.00 -0.11 0.00 0.71 0.00 0.00 56.30 56.99 2ka6 h ASN 51 Cb 0.40 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.43 2ka6 h ASN 51 CO -0.00 0.53 -1.89 0.61 -1.29 0.00 0.00 177.43 175.39 2ka6 n GLY 52 N 0.46 -0.77 0.00 1.57 0.00 -0.55 -5.04 105.19 100.86 2ka6 n GLY 52 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 1.74 0.51 3.68 -0.02 0.00 -0.33 -4.97 105.19 105.80 2ka6 n GLY 53 Ca -0.12 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.41 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 8.59 0.00 0.16 0.00 0.13 -1.99 -3.02 132.00 135.88 2ka6 h PRO 55 Ca -0.48 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 32.41 2ka6 h PRO 55 CO 0.94 0.56 -0.08 0.28 -0.23 0.00 0.00 178.00 179.47 2ka6 h VAL 56 N 0.00 0.85 -0.10 1.56 2.07 -1.98 -2.53 116.25 116.12 2ka6 h VAL 56 Ca -0.01 -1.11 0.04 0.00 0.82 0.00 0.00 66.70 66.45 2ka6 h VAL 56 Cb 1.23 1.42 -0.06 0.00 -1.52 0.00 0.00 31.29 32.36 2ka6 h VAL 56 CO 0.07 0.22 -0.27 0.00 0.02 0.00 0.00 177.57 177.61 2ka6 h LYS 58 N -0.36 0.00 0.15 0.00 3.64 -1.62 -0.71 116.57 117.67 2ka6 h LYS 58 Ca 0.09 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 2ka6 h LYS 58 Cb 0.49 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2ka6 h LYS 58 CO -0.30 0.00 -0.07 0.37 -2.27 0.00 0.00 179.45 177.18 2ka6 h GLN 59 N 0.00 -0.20 -0.16 1.90 5.75 -0.74 -1.78 115.11 119.88 2ka6 h GLN 59 Ca 0.15 0.01 -0.08 0.00 -0.15 0.00 0.00 58.65 58.59 2ka6 h GLN 59 Cb 0.74 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.32 2ka6 h GLN 59 CO -0.00 0.23 -0.25 1.37 -2.65 0.00 0.00 178.83 177.53 2ka6 h LEU 60 N -0.75 0.28 -0.67 -2.39 -0.00 -1.27 -2.77 115.31 107.74 2ka6 h LEU 60 Ca -0.02 -0.08 -0.02 0.00 -0.00 0.00 0.00 57.88 57.76 2ka6 h LEU 60 Cb 0.52 -0.08 -0.03 0.00 -0.00 0.00 0.00 40.66 41.08 2ka6 h LEU 60 CO 0.03 0.54 0.35 0.40 -0.00 0.00 0.00 178.44 179.77 2ka6 h ILE 61 N 0.26 1.22 0.21 0.15 1.08 -1.13 0.30 117.51 119.59 2ka6 h ILE 61 Ca 0.04 -0.57 -0.00 0.00 -0.39 0.00 0.00 64.86 63.94 2ka6 h ILE 61 Cb 0.59 0.36 -0.01 0.00 -3.07 0.00 0.00 36.82 34.69 2ka6 h ILE 61 CO 0.04 0.24 -0.14 0.00 -0.69 0.00 0.00 178.15 177.60 2ka6 h ALA 62 N 1.17 -0.33 -0.68 1.87 0.00 -1.20 -0.21 119.26 119.88 2ka6 h ALA 62 Ca 0.24 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.17 2ka6 h ALA 62 Cb 0.07 0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 2ka6 h ALA 62 CO -0.03 -0.70 0.34 1.25 0.00 0.00 0.00 179.25 180.11 2ka6 h LEU 63 N -0.35 0.46 -0.22 0.00 6.46 -1.17 -1.27 115.31 119.22 2ka6 h LEU 63 Ca -0.02 0.05 -0.09 0.00 -0.12 0.00 0.00 57.88 57.71 2ka6 h LEU 63 Cb 0.30 -0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 40.20 2ka6 h LEU 63 CO 0.01 0.28 -0.21 0.00 -0.62 0.00 0.00 178.44 177.89 2ka6 h TYR 66 N 1.09 0.57 0.00 0.00 3.20 -1.24 -2.69 116.97 117.89 2ka6 h TYR 66 Ca 0.34 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.22 2ka6 h TYR 66 Cb 0.01 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.09 2ka6 h TYR 66 CO -0.02 0.32 -0.20 1.25 -1.64 0.00 0.00 178.16 177.87 2ka6 h HIS 67 N 0.58 0.00 -1.02 -3.82 2.76 -1.32 -3.41 115.15 108.92 2ka6 h HIS 67 Ca 0.22 0.00 0.25 0.00 -2.20 0.00 0.00 60.37 58.65 2ka6 h HIS 67 Cb 0.16 0.00 -0.09 0.00 1.55 0.00 0.00 27.41 29.04 2ka6 h HIS 67 CO -0.00 0.12 0.66 0.00 -1.30 0.00 0.00 177.93 177.41 2ka6 h ALA 68 N -0.92 2.23 0.53 5.26 0.00 -0.58 -0.69 119.26 125.10 2ka6 h ALA 68 Ca -0.01 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2ka6 h ALA 68 Cb 0.27 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.08 2ka6 h ALA 68 CO -0.01 -0.61 -0.26 1.57 0.00 0.00 0.00 179.25 179.95 2ka6 h LYS 69 N 0.40 -0.69 0.00 0.00 2.10 -1.70 -3.08 116.57 113.60 2ka6 h LYS 69 Ca 0.57 0.05 -0.06 0.00 -2.00 0.00 0.00 60.65 59.21 2ka6 h LYS 69 Cb 1.44 0.16 -0.01 0.00 -0.90 0.00 0.00 32.23 32.92 2ka6 h LYS 69 CO -0.27 -0.45 -0.29 1.25 -2.00 0.00 0.00 179.45 177.69 2ka6 h HIS 70 N -0.72 0.00 -4.14 0.07 2.76 -1.70 -3.45 115.15 107.96 2ka6 h HIS 70 Ca -0.07 0.00 -0.52 0.00 -2.20 0.00 0.00 60.37 57.58 2ka6 h HIS 70 Cb 0.55 0.00 0.11 0.00 1.55 0.00 0.00 27.41 29.62 2ka6 h HIS 70 CO -0.04 0.29 0.42 0.00 -1.30 0.00 0.00 177.93 177.30 2ka6 n GLN 72 N -1.93 0.02 -2.20 0.00 6.02 -1.26 -4.94 117.38 113.09 2ka6 n GLN 72 Ca 0.12 -0.10 -0.33 0.00 -0.01 0.00 0.00 57.00 56.68 2ka6 n GLN 72 Cb 0.51 -0.55 -0.01 0.00 1.02 0.00 0.00 30.24 31.21 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 -0.03 3.50 0.00 -1.09 2.56 -1.26 -5.00 118.70 117.38 2ka6 s GLU 73 Ca 0.00 1.22 0.12 0.00 0.00 0.00 0.00 54.97 56.30 2ka6 s GLU 73 Cb 0.00 -2.06 -0.04 0.00 2.00 0.00 0.00 34.13 34.04 2ka6 s GLU 73 CO 0.00 -0.66 0.64 0.09 -0.56 0.00 0.00 175.26 174.76 2ka6 n ASN 74 N -1.72 1.11 -0.14 -1.70 3.02 -1.26 -4.52 115.26 110.05 2ka6 n ASN 74 Ca 0.09 -1.06 0.07 0.00 -0.03 0.00 0.00 54.58 53.65 2ka6 n ASN 74 Cb 0.53 0.61 0.10 0.00 -0.61 0.00 0.00 39.78 40.41 2ka6 n ASN 74 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2ka6 n LYS 75 N -0.50 1.19 -1.65 3.52 4.01 -1.26 -5.04 118.16 118.43 2ka6 n LYS 75 Ca 0.04 -2.13 -0.45 0.00 -0.51 0.00 0.00 58.31 55.27 2ka6 n LYS 75 Cb 0.23 -1.24 -0.02 0.00 -0.51 0.00 0.00 35.03 33.49 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 3.43 0.00 -6.53 0.00 0.13 -1.93 -3.44 132.00 123.65 2ka6 h PRO 77 Ca -0.44 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.16 2ka6 h PRO 77 Cb 1.29 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.45 2ka6 h PRO 77 CO 0.70 0.25 0.90 0.08 -0.23 0.00 0.00 178.00 179.70 2ka6 s VAL 78 N -3.93 2.90 0.41 1.56 1.01 -1.26 -4.85 120.40 116.23 2ka6 s VAL 78 Ca -0.01 0.54 0.16 0.00 0.00 0.00 0.00 61.98 62.67 2ka6 s VAL 78 Cb 0.12 -3.35 0.17 0.00 0.00 0.00 0.00 36.38 33.33 2ka6 s VAL 78 CO 0.64 0.02 1.95 1.55 0.00 0.00 0.00 175.10 179.26 2ka6 h PRO 79 N 7.41 0.00 0.00 2.72 0.13 -1.96 -3.17 132.00 137.14 2ka6 h PRO 79 Ca -0.42 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.58 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 0.91 0.24 -1.29 0.74 -0.23 0.00 0.00 178.00 178.37 2ka6 h PHE 80 N 0.00 0.00 -0.30 1.56 0.04 -1.96 -3.37 116.94 112.91 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 0.45 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 38.52 2ka6 h PHE 80 CO 0.00 0.42 -0.29 0.00 -0.60 0.00 0.00 178.31 177.84 2ka6 h LEU 82 N -0.27 0.58 -0.76 0.00 -0.00 -1.78 -1.42 115.31 111.67 2ka6 h LEU 82 Ca 0.15 -0.27 0.09 0.00 -0.00 0.00 0.00 57.88 57.85 2ka6 h LEU 82 Cb 0.51 -0.16 -0.07 0.00 -0.00 0.00 0.00 40.66 40.94 2ka6 h LEU 82 CO -0.45 0.71 0.41 -1.13 -0.00 0.00 0.00 178.44 177.97 2ka6 h ASN 83 N 0.44 0.56 -0.04 -0.43 -0.73 -1.57 -1.74 115.58 112.07 2ka6 h ASN 83 Ca 0.11 0.05 -0.03 0.00 1.87 0.00 0.00 56.30 58.31 2ka6 h ASN 83 Cb 0.38 -0.05 0.00 0.00 0.27 0.00 0.00 38.32 38.92 2ka6 h ASN 83 CO 0.01 0.32 -0.08 0.40 -0.37 0.00 0.00 177.43 177.71 2ka6 h ILE 84 N 0.69 1.44 -0.58 2.57 2.04 -0.74 -3.30 117.51 119.63 2ka6 h ILE 84 Ca 0.37 -1.43 0.12 0.00 1.00 0.00 0.00 64.86 64.92 2ka6 h ILE 84 Cb 0.36 2.31 -0.10 0.00 -0.74 0.00 0.00 36.82 38.65 2ka6 h ILE 84 CO -0.26 0.39 -0.00 0.11 0.00 0.00 0.00 178.15 178.39 2ka6 h LYS 85 N -0.41 0.11 -0.64 2.37 1.57 -0.91 -0.14 116.57 118.51 2ka6 h LYS 85 Ca 0.00 -0.01 0.17 0.00 -1.87 0.00 0.00 60.65 58.94 2ka6 h LYS 85 Cb 0.67 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.93 2ka6 h LYS 85 CO 0.02 0.07 0.45 0.45 -0.57 0.00 0.00 179.45 179.87 2ka6 h HIS 86 N 0.11 0.13 0.12 -1.35 3.86 -1.40 0.63 115.15 117.25 2ka6 h HIS 86 Ca 0.30 0.00 -0.35 0.00 -1.16 0.00 0.00 60.37 59.16 2ka6 h HIS 86 Cb 0.47 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 28.88 2ka6 h HIS 86 CO -0.35 0.05 -1.92 1.63 0.86 0.00 0.00 177.93 178.20 2ka6 n LYS 87 N -4.39 0.75 -0.11 2.45 5.02 -0.49 -4.11 118.16 117.28 2ka6 n LYS 87 Ca 0.12 0.30 -0.12 0.00 -2.02 0.00 0.00 58.31 56.59 2ka6 n LYS 87 Cb 0.64 -1.72 -0.03 0.00 -0.02 0.00 0.00 35.03 33.90 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 -0.03 0.70 -1.48 -0.35 4.07 -0.63 -3.25 115.31 114.35 2ka6 h LEU 88 Ca -0.41 -0.41 -0.06 0.00 0.08 0.00 0.00 57.88 57.08 2ka6 h LEU 88 Cb 1.97 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 43.51 2ka6 h LEU 88 CO 0.06 0.95 -0.27 0.03 -1.08 0.00 0.00 178.44 178.14 2ka6 h ARG 89 N 0.45 0.00 0.00 1.13 2.47 -1.11 -2.98 114.38 114.34 2ka6 h ARG 89 Ca 0.07 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.79 2ka6 h ARG 89 Cb 0.69 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.01 2ka6 h ARG 89 CO 0.05 0.27 0.00 1.04 0.56 0.00 0.00 179.97 181.88 2ka6 n GLN 90 N -4.07 0.54 -1.85 0.04 1.13 -1.23 -4.92 117.38 107.02 2ka6 n GLN 90 Ca -0.02 0.00 -0.37 0.00 -1.94 0.00 0.00 57.00 54.67 2ka6 n GLN 90 Cb 0.33 -1.50 0.05 0.00 0.11 0.00 0.00 30.24 29.23 2ka6 n GLN 90 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2ka6 s GLN 91 N -2.46 2.86 0.00 -1.09 -0.21 -1.13 -5.12 119.66 112.52 2ka6 s GLN 91 Ca 0.32 2.03 0.00 0.00 0.02 0.00 0.00 55.36 57.73 2ka6 s GLN 91 Cb 0.20 -1.99 0.00 0.00 1.00 0.00 0.00 33.01 32.23 2ka6 s GLN 91 CO 0.44 -1.35 0.50 1.04 -2.12 0.00 0.00 175.29 173.80