#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 -2.93 135.00 132.34 2ka6 n PRO 2 Ca 0.00 0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 2ka6 n PRO 2 Cb 0.00 -1.05 0.13 0.00 -0.04 0.00 0.00 33.50 32.54 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 -0.96 0.54 4.20 -2.06 -3.29 115.11 113.54 2ka6 h GLN 3 Ca 0.00 0.00 0.16 0.00 0.06 0.00 0.00 58.65 58.87 2ka6 h GLN 3 Cb 0.00 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 27.68 2ka6 h GLN 3 CO 0.00 0.62 0.57 0.93 -0.67 0.00 0.00 178.83 180.27 2ka6 h GLU 4 N 0.00 0.77 -0.90 1.46 3.07 -1.99 -0.76 114.58 116.23 2ka6 h GLU 4 Ca -0.01 -0.05 0.06 0.00 -0.50 0.00 0.00 59.36 58.86 2ka6 h GLU 4 Cb 1.24 -0.17 -0.06 0.00 -0.84 0.00 0.00 28.75 28.93 2ka6 h GLU 4 CO 0.08 0.51 0.58 0.77 -1.40 0.00 0.00 179.01 179.55 2ka6 h SER 5 N 0.79 0.91 -0.06 1.42 0.02 -1.60 -0.14 113.55 114.90 2ka6 h SER 5 Ca 0.52 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.41 2ka6 h SER 5 Cb 0.71 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.05 2ka6 h SER 5 CO -0.34 0.60 -0.23 0.03 -1.14 0.00 0.00 176.83 175.75 2ka6 h ARG 6 N 1.04 0.25 -0.31 3.45 3.08 -1.40 -2.52 114.38 117.98 2ka6 h ARG 6 Ca 0.38 -0.20 0.06 0.00 0.07 0.00 0.00 59.98 60.29 2ka6 h ARG 6 Cb 0.15 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.18 2ka6 h ARG 6 CO -0.13 0.84 -0.06 0.00 -1.07 0.00 0.00 179.97 179.54 2ka6 h ARG 7 N -0.27 0.02 -0.01 0.04 3.08 -0.83 -1.80 114.38 114.60 2ka6 h ARG 7 Ca -0.01 -0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.92 2ka6 h ARG 7 Cb 0.87 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.90 2ka6 h ARG 7 CO 0.05 0.01 -0.52 -0.07 -1.07 0.00 0.00 179.97 178.37 2ka6 h LEU 8 N 0.02 0.04 -0.68 3.04 3.38 -1.14 -3.07 115.31 116.90 2ka6 h LEU 8 Ca 0.15 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.98 2ka6 h LEU 8 Cb 0.22 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2ka6 h LEU 8 CO -0.30 0.56 -0.26 0.28 0.09 0.00 0.00 178.44 178.80 2ka6 h SER 9 N 0.03 0.76 -0.84 -0.43 0.02 -0.94 -3.11 113.55 109.04 2ka6 h SER 9 Ca -0.00 -0.29 0.03 0.00 -0.84 0.00 0.00 61.79 60.69 2ka6 h SER 9 Cb 0.93 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 63.22 2ka6 h SER 9 CO 0.07 0.99 0.55 0.40 -1.14 0.00 0.00 176.83 177.70 2ka6 h ILE 10 N 0.64 1.15 -0.67 3.27 2.04 -1.25 -2.55 117.51 120.15 2ka6 h ILE 10 Ca 0.08 -0.36 0.11 0.00 1.00 0.00 0.00 64.86 65.69 2ka6 h ILE 10 Cb 0.77 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 2ka6 h ILE 10 CO 0.06 0.19 0.45 1.56 0.00 0.00 0.00 178.15 180.41 2ka6 h GLN 11 N 1.06 0.45 -0.41 2.37 1.08 -1.58 -2.03 115.11 116.05 2ka6 h GLN 11 Ca 0.33 -0.03 0.05 0.00 -1.45 0.00 0.00 58.65 57.55 2ka6 h GLN 11 Cb -0.00 -0.10 -0.05 0.00 -0.05 0.00 0.00 27.48 27.28 2ka6 h GLN 11 CO -0.09 0.30 0.15 0.00 -0.95 0.00 0.00 178.83 178.23 2ka6 h ARG 12 N 0.46 0.30 -0.22 1.46 3.08 -1.57 -1.36 114.38 116.53 2ka6 h ARG 12 Ca 0.31 -0.02 -0.16 0.00 0.07 0.00 0.00 59.98 60.18 2ka6 h ARG 12 Cb 0.60 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 2ka6 h ARG 12 CO -0.10 0.20 -0.52 0.00 -1.07 0.00 0.00 179.97 178.49 2ka6 h ILE 14 N 0.49 1.04 -0.76 0.00 2.04 -1.04 0.65 117.51 119.94 2ka6 h ILE 14 Ca 0.02 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.76 2ka6 h ILE 14 Cb 1.07 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 38.20 2ka6 h ILE 14 CO 0.10 0.03 0.48 1.56 0.00 0.00 0.00 178.15 180.33 2ka6 h GLN 15 N -0.02 1.01 -0.59 2.37 4.20 -1.25 -0.89 115.11 119.94 2ka6 h GLN 15 Ca 0.01 -0.08 -0.05 0.00 0.06 0.00 0.00 58.65 58.59 2ka6 h GLN 15 Cb 0.05 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 2ka6 h GLN 15 CO -0.00 0.69 0.16 0.77 -0.67 0.00 0.00 178.83 179.78 2ka6 h SER 16 N 1.03 0.88 -0.29 1.46 0.02 -1.05 -0.74 113.55 114.86 2ka6 h SER 16 Ca 0.27 -0.22 -0.10 0.00 -0.84 0.00 0.00 61.79 60.90 2ka6 h SER 16 Cb -0.08 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.22 2ka6 h SER 16 CO -0.06 0.87 -0.20 0.25 -1.14 0.00 0.00 176.83 176.55 2ka6 h LEU 17 N 0.84 0.69 -0.55 5.07 5.85 -0.68 -0.77 115.31 125.76 2ka6 h LEU 17 Ca 0.19 -0.44 0.02 0.00 0.84 0.00 0.00 57.88 58.49 2ka6 h LEU 17 Cb 0.32 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 2ka6 h LEU 17 CO -0.00 0.97 0.34 0.58 -0.34 0.00 0.00 178.44 179.99 2ka6 h VAL 18 N 0.40 1.07 0.40 1.05 2.07 -1.09 -0.21 116.25 119.94 2ka6 h VAL 18 Ca 0.06 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 2ka6 h VAL 18 Cb 0.75 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2ka6 h VAL 18 CO 0.05 0.12 -0.23 -0.74 0.02 0.00 0.00 177.57 176.80 2ka6 h HIS 19 N 0.67 -0.61 -0.59 1.57 -0.00 -1.07 -3.02 115.15 112.12 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 0.00 0.21 -0.04 0.00 -0.00 0.00 0.00 27.41 27.59 2ka6 h HIS 19 CO -0.06 -0.36 0.39 0.00 -0.00 0.00 0.00 177.93 177.90 2ka6 h ALA 20 N -0.02 1.99 0.00 5.26 0.00 -0.80 0.11 119.26 125.79 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 0.48 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2ka6 h ALA 20 CO 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.20 2ka6 n GLN 22 N -2.51 2.73 -1.95 0.00 6.02 -0.39 -4.93 117.38 116.35 2ka6 n GLN 22 Ca 0.00 -0.01 -0.37 0.00 -0.01 0.00 0.00 57.00 56.62 2ka6 n GLN 22 Cb 0.17 -1.15 0.04 0.00 1.02 0.00 0.00 30.24 30.32 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 -1.44 5.30 -1.95 0.00 5.12 -1.26 -4.95 116.66 117.49 2ka6 n ARG 24 Ca 0.13 -0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.62 2ka6 n ARG 24 Cb 0.48 -0.65 -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 -1.31 6.63 0.53 0.55 0.01 -1.26 -4.91 114.94 115.18 2ka6 s ASN 25 Ca 0.00 2.33 0.27 0.00 -0.71 0.00 0.00 52.86 54.75 2ka6 s ASN 25 Cb 0.01 -2.54 1.48 0.00 0.41 0.00 0.00 41.25 40.61 2ka6 s ASN 25 CO 0.05 -0.94 2.09 0.00 -1.51 0.00 0.00 177.10 176.78 2ka6 h ALA 26 N 9.61 1.31 -1.36 0.60 0.00 -2.02 -3.27 119.26 124.13 2ka6 h ALA 26 Ca -0.41 -0.10 -0.40 0.00 0.00 0.00 0.00 54.91 54.00 2ka6 h ALA 26 Cb 1.19 -0.02 -0.38 0.00 0.00 0.00 0.00 17.79 18.58 2ka6 h ALA 26 CO 0.95 0.13 -1.15 0.09 0.00 0.00 0.00 179.25 179.27 2ka6 n ASN 27 N -3.67 0.96 -4.51 0.00 3.02 -1.26 -4.98 115.26 104.82 2ka6 n ASN 27 Ca -0.02 -2.86 -0.39 0.00 -0.03 0.00 0.00 54.58 51.28 2ka6 n ASN 27 Cb 0.22 -0.44 0.03 0.00 -0.61 0.00 0.00 39.78 38.98 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 0.55 0.00 -3.39 0.00 4.64 -2.01 -3.43 113.55 109.91 2ka6 h SER 29 Ca -0.45 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.33 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 0.50 0.00 0.33 -0.76 -0.87 0.00 0.00 176.83 176.03 2ka6 s LEU 30 N -5.00 4.35 0.23 5.97 1.43 -1.26 -4.97 118.68 119.43 2ka6 s LEU 30 Ca 0.00 1.56 -0.05 0.00 -1.03 0.00 0.00 54.13 54.61 2ka6 s LEU 30 Cb 0.09 -3.48 0.24 0.00 0.03 0.00 0.00 46.19 43.07 2ka6 s LEU 30 CO 0.35 -0.24 1.75 1.55 0.23 0.00 0.00 176.35 179.99 2ka6 h PRO 31 N 6.81 0.99 -0.21 1.29 0.13 -2.01 -3.16 132.00 135.84 2ka6 h PRO 31 Ca -0.40 -0.24 -0.16 0.00 -0.87 0.00 0.00 66.00 64.33 2ka6 h PRO 31 Cb 1.21 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2ka6 h PRO 31 CO 0.76 0.90 -0.50 0.77 -0.23 0.00 0.00 178.00 179.69 2ka6 h SER 32 N 0.93 0.80 -0.64 1.44 0.02 -1.95 -3.29 113.55 110.87 2ka6 h SER 32 Ca 0.19 -0.57 0.13 0.00 -0.84 0.00 0.00 61.79 60.71 2ka6 h SER 32 Cb 0.38 -0.23 -0.10 0.00 0.14 0.00 0.00 62.40 62.58 2ka6 h SER 32 CO 0.01 1.22 0.06 0.00 -1.14 0.00 0.00 176.83 176.98 2ka6 h GLN 34 N 0.17 0.68 0.16 0.00 4.20 -1.62 -1.82 115.11 116.87 2ka6 h GLN 34 Ca 0.34 -0.04 -0.23 0.00 0.06 0.00 0.00 58.65 58.78 2ka6 h GLN 34 Cb 0.55 -0.15 0.02 0.00 0.30 0.00 0.00 27.48 28.20 2ka6 h GLN 34 CO -0.50 0.45 -1.06 -0.22 -0.67 0.00 0.00 178.83 176.82 2ka6 h LYS 35 N 0.70 0.33 -0.87 1.46 3.64 -1.20 -3.29 116.57 117.33 2ka6 h LYS 35 Ca 0.35 -0.56 0.07 0.00 -1.27 0.00 0.00 60.65 59.23 2ka6 h LYS 35 Cb 0.44 0.21 -0.06 0.00 -0.41 0.00 0.00 32.23 32.41 2ka6 h LYS 35 CO -0.13 1.27 0.57 0.52 -2.27 0.00 0.00 179.45 179.41 2ka6 h MET 36 N -0.27 0.94 -0.30 1.90 2.86 -0.45 -1.00 114.93 118.62 2ka6 h MET 36 Ca -0.20 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.37 2ka6 h MET 36 Cb 1.76 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 33.20 2ka6 h MET 36 CO 0.15 0.62 0.13 0.87 1.06 0.00 0.00 176.91 179.75 2ka6 h LYS 37 N 0.97 0.45 -0.78 1.72 1.57 -1.47 -0.86 116.57 118.17 2ka6 h LYS 37 Ca 0.38 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 2ka6 h LYS 37 Cb 0.23 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 2ka6 h LYS 37 CO -0.14 0.44 0.50 0.00 -0.57 0.00 0.00 179.45 179.68 2ka6 h ARG 38 N 0.35 1.04 0.27 3.15 2.47 -1.42 -1.34 114.38 118.90 2ka6 h ARG 38 Ca 0.10 -0.07 -0.01 0.00 -1.26 0.00 0.00 59.98 58.74 2ka6 h ARG 38 Cb 0.15 -0.23 0.00 0.00 -1.65 0.00 0.00 29.97 28.25 2ka6 h ARG 38 CO -0.01 0.70 -0.13 0.28 0.56 0.00 0.00 179.97 181.37 2ka6 h VAL 39 N 1.06 0.75 -0.60 2.04 2.07 -1.00 -0.67 116.25 119.91 2ka6 h VAL 39 Ca 0.28 -0.11 -0.07 0.00 0.82 0.00 0.00 66.70 67.63 2ka6 h VAL 39 Cb -0.10 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 2ka6 h VAL 39 CO -0.06 0.02 0.11 1.62 0.02 0.00 0.00 177.57 179.28 2ka6 h VAL 40 N -0.42 1.26 -0.98 2.57 3.04 -1.07 -2.46 116.25 118.20 2ka6 h VAL 40 Ca -0.04 -0.97 0.04 0.00 -1.01 0.00 0.00 66.70 64.72 2ka6 h VAL 40 Cb 0.32 0.73 -0.06 0.00 -2.01 0.00 0.00 31.29 30.27 2ka6 h VAL 40 CO 0.06 0.36 0.64 1.56 -1.01 0.00 0.00 177.57 179.18 2ka6 h GLN 41 N 0.89 1.19 0.62 4.17 1.08 -1.18 0.47 115.11 122.35 2ka6 h GLN 41 Ca 0.18 -0.07 -0.02 0.00 -1.45 0.00 0.00 58.65 57.29 2ka6 h GLN 41 Cb 0.41 -0.27 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 2ka6 h GLN 41 CO 0.01 0.79 -0.39 1.25 -0.95 0.00 0.00 178.83 179.53 2ka6 h HIS 42 N 1.23 -1.05 -0.84 2.96 -0.00 -0.88 -3.15 115.15 113.42 2ka6 h HIS 42 Ca 0.39 -0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.79 2ka6 h HIS 42 Cb 0.02 0.38 -0.05 0.00 -0.00 0.00 0.00 27.41 27.76 2ka6 h HIS 42 CO -0.00 -0.59 0.55 1.15 -0.00 0.00 0.00 177.93 179.04 2ka6 h THR 43 N -0.96 1.13 0.00 6.26 2.02 -1.00 -0.82 112.91 119.54 2ka6 h THR 43 Ca -0.08 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.75 2ka6 h THR 43 Cb 0.78 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.20 2ka6 h THR 43 CO 0.07 0.19 0.12 0.11 0.37 0.00 0.00 175.52 176.38 2ka6 h LYS 44 N 1.03 0.00 0.00 6.66 1.57 -0.87 -3.03 116.57 121.93 2ka6 h LYS 44 Ca 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 2ka6 h LYS 44 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 2ka6 h LYS 44 CO -0.10 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.19 2ka6 n GLY 45 N -1.20 -0.24 3.70 3.86 0.00 -0.77 -5.08 105.19 105.46 2ka6 n GLY 45 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 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 -4.00 0.69 -0.07 0.00 4.76 -1.26 -4.91 118.16 113.37 2ka6 n LYS 47 Ca 0.09 -0.68 -0.07 0.00 -2.87 0.00 0.00 58.31 54.79 2ka6 n LYS 47 Cb 0.53 -0.69 -0.02 0.00 -1.84 0.00 0.00 35.03 33.01 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 -0.13 0.42 -0.32 1.97 1.74 -1.26 -4.95 116.66 114.13 2ka6 n ARG 48 Ca 0.00 0.16 0.04 0.00 -0.77 0.00 0.00 57.85 57.29 2ka6 n ARG 48 Cb 0.33 -1.23 -0.01 0.00 -1.02 0.00 0.00 32.46 30.53 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 -4.04 -0.64 0.17 5.56 0.00 -1.26 -1.54 118.16 116.41 2ka6 n LYS 49 Ca -0.11 0.42 0.14 0.00 -0.00 0.00 0.00 58.31 58.76 2ka6 n LYS 49 Cb 0.41 -0.78 0.71 0.00 -0.00 0.00 0.00 35.03 35.37 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 -0.29 0.79 0.00 0.58 1.35 -1.93 -0.55 112.91 112.86 2ka6 h THR 50 Ca 0.01 0.00 -0.13 0.00 -0.55 0.00 0.00 66.41 65.73 2ka6 h THR 50 Cb 0.29 0.89 -0.02 0.00 -1.73 0.00 0.00 68.15 67.58 2ka6 h THR 50 CO 0.00 0.00 -0.64 0.78 -0.25 0.00 0.00 175.52 175.41 2ka6 h ASN 51 N 0.00 0.00 0.03 5.36 4.21 -1.96 -3.34 115.58 119.88 2ka6 h ASN 51 Ca 0.09 0.00 -0.37 0.00 1.21 0.00 0.00 56.30 57.23 2ka6 h ASN 51 Cb 0.40 0.00 -0.07 0.00 -1.12 0.00 0.00 38.32 37.53 2ka6 h ASN 51 CO -0.00 0.64 -2.35 0.61 -1.29 0.00 0.00 177.43 175.04 2ka6 n GLY 52 N 0.55 -0.90 0.00 2.83 0.00 -0.59 -5.03 105.19 102.06 2ka6 n GLY 52 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 1.82 0.10 3.68 -0.02 0.00 -0.34 -5.00 105.19 105.42 2ka6 n GLY 53 Ca -0.34 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.21 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 8.69 0.00 0.30 0.00 0.13 -2.00 -3.20 132.00 135.93 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 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2ka6 h PRO 55 CO 0.94 0.57 -0.14 0.28 -0.23 0.00 0.00 178.00 179.42 2ka6 h VAL 56 N 0.00 0.14 -0.53 1.56 2.07 -1.98 -2.87 116.25 114.64 2ka6 h VAL 56 Ca -0.01 -0.76 0.09 0.00 0.82 0.00 0.00 66.70 66.85 2ka6 h VAL 56 Cb 1.27 0.25 -0.11 0.00 -1.52 0.00 0.00 31.29 31.18 2ka6 h VAL 56 CO 0.07 0.04 -0.35 0.00 0.02 0.00 0.00 177.57 177.36 2ka6 h LYS 58 N -0.20 0.10 -0.13 0.00 3.64 -1.67 -0.27 116.57 118.04 2ka6 h LYS 58 Ca 0.21 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.50 2ka6 h LYS 58 Cb 0.55 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 2ka6 h LYS 58 CO -0.63 0.07 -0.24 0.37 -2.27 0.00 0.00 179.45 176.74 2ka6 h GLN 59 N 0.11 0.40 -0.21 1.90 5.75 -0.73 -2.16 115.11 120.16 2ka6 h GLN 59 Ca 0.27 -0.25 -0.01 0.00 -0.15 0.00 0.00 58.65 58.52 2ka6 h GLN 59 Cb 0.94 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.51 2ka6 h GLN 59 CO -0.03 0.85 0.11 -0.07 -2.65 0.00 0.00 178.83 177.04 2ka6 h LEU 60 N -0.00 0.27 -0.75 -2.39 4.07 -0.85 -2.77 115.31 112.89 2ka6 h LEU 60 Ca 0.01 -0.09 0.10 0.00 0.08 0.00 0.00 57.88 57.98 2ka6 h LEU 60 Cb 0.83 -0.07 -0.08 0.00 1.08 0.00 0.00 40.66 42.42 2ka6 h LEU 60 CO 0.05 0.29 0.37 0.40 -1.08 0.00 0.00 178.44 178.47 2ka6 h ILE 61 N 0.23 0.82 0.28 1.22 1.08 -1.08 0.27 117.51 120.33 2ka6 h ILE 61 Ca 0.08 -0.21 -0.01 0.00 -0.39 0.00 0.00 64.86 64.32 2ka6 h ILE 61 Cb 0.08 0.16 0.00 0.00 -3.07 0.00 0.00 36.82 33.99 2ka6 h ILE 61 CO -0.01 0.11 -0.13 0.00 -0.69 0.00 0.00 178.15 177.43 2ka6 h ALA 62 N 1.46 -0.37 -0.65 1.87 0.00 -1.32 -0.55 119.26 119.70 2ka6 h ALA 62 Ca 0.38 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.25 2ka6 h ALA 62 Cb 0.43 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 2ka6 h ALA 62 CO -0.29 -0.67 0.34 1.25 0.00 0.00 0.00 179.25 179.87 2ka6 h LEU 63 N -0.44 0.48 -0.45 0.00 6.46 -1.08 -1.44 115.31 118.85 2ka6 h LEU 63 Ca -0.04 0.04 -0.15 0.00 -0.12 0.00 0.00 57.88 57.61 2ka6 h LEU 63 Cb 0.33 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.21 2ka6 h LEU 63 CO 0.06 0.30 -0.34 0.00 -0.62 0.00 0.00 178.44 177.84 2ka6 h TYR 66 N 0.50 0.95 0.07 0.00 3.20 -1.25 -0.58 116.97 119.86 2ka6 h TYR 66 Ca 0.14 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.03 2ka6 h TYR 66 Cb -0.06 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 37.93 2ka6 h TYR 66 CO -0.05 0.29 -0.03 1.25 -1.64 0.00 0.00 178.16 177.98 2ka6 h HIS 67 N 0.78 -0.08 -0.21 -3.82 2.76 -1.42 -3.37 115.15 109.79 2ka6 h HIS 67 Ca 0.49 -0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.72 2ka6 h HIS 67 Cb 0.62 0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.60 2ka6 h HIS 67 CO -0.04 0.47 0.17 0.00 -1.30 0.00 0.00 177.93 177.22 2ka6 h ALA 68 N -0.28 2.09 -0.91 5.26 0.00 -0.36 -0.99 119.26 124.06 2ka6 h ALA 68 Ca -0.01 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.97 2ka6 h ALA 68 Cb 0.59 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 2ka6 h ALA 68 CO 0.02 -0.27 0.59 0.87 0.00 0.00 0.00 179.25 180.45 2ka6 h LYS 69 N 0.00 0.95 0.07 0.00 1.57 -1.26 -3.02 116.57 114.88 2ka6 h LYS 69 Ca 0.10 -0.06 -0.33 0.00 -1.87 0.00 0.00 60.65 58.49 2ka6 h LYS 69 Cb 0.43 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 2ka6 h LYS 69 CO -0.00 0.63 -1.87 0.72 -0.57 0.00 0.00 179.45 178.36 2ka6 n HIS 70 N -4.51 1.17 -2.03 -1.35 8.25 -0.65 -4.98 115.22 111.12 2ka6 n HIS 70 Ca 0.15 0.31 -0.39 0.00 -0.26 0.00 0.00 57.72 57.53 2ka6 n HIS 70 Cb 0.25 -1.18 0.00 0.00 1.12 0.00 0.00 29.99 30.19 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 -0.11 -0.14 -3.01 0.00 6.02 -1.26 -4.89 117.38 113.98 2ka6 n GLN 72 Ca 0.05 -0.15 -0.33 0.00 -0.01 0.00 0.00 57.00 56.57 2ka6 n GLN 72 Cb 0.44 -0.60 -0.06 0.00 1.02 0.00 0.00 30.24 31.03 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 4.11 0.00 -1.09 2.56 -1.26 -5.00 118.70 118.00 2ka6 s GLU 73 Ca 0.00 0.86 0.23 0.00 0.00 0.00 0.00 54.97 56.06 2ka6 s GLU 73 Cb 0.00 -2.35 0.05 0.00 2.00 0.00 0.00 34.13 33.83 2ka6 s GLU 73 CO 0.00 0.09 1.14 0.09 -0.56 0.00 0.00 175.26 176.02 2ka6 n ASN 74 N -0.43 2.32 -0.14 -1.70 3.02 -1.26 -4.31 115.26 112.76 2ka6 n ASN 74 Ca 0.05 -1.66 0.01 0.00 -0.03 0.00 0.00 54.58 52.95 2ka6 n ASN 74 Cb 0.53 0.34 0.03 0.00 -0.61 0.00 0.00 39.78 40.07 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 0.38 2.64 -1.65 3.52 5.02 -1.26 -5.08 118.16 121.73 2ka6 n LYS 75 Ca 0.11 -1.53 -0.45 0.00 -2.02 0.00 0.00 58.31 54.41 2ka6 n LYS 75 Cb 0.51 -1.06 -0.03 0.00 -0.02 0.00 0.00 35.03 34.43 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 3.94 0.00 -6.32 0.00 0.13 -1.95 -3.44 132.00 124.37 2ka6 h PRO 77 Ca -0.45 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.14 2ka6 h PRO 77 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 2ka6 h PRO 77 CO 0.74 0.28 0.86 0.08 -0.23 0.00 0.00 178.00 179.73 2ka6 s VAL 78 N -3.82 3.86 0.24 1.56 1.01 -1.26 -4.89 120.40 117.10 2ka6 s VAL 78 Ca -0.01 1.18 -0.05 0.00 0.00 0.00 0.00 61.98 63.11 2ka6 s VAL 78 Cb 0.12 -3.76 0.15 0.00 0.00 0.00 0.00 36.38 32.88 2ka6 s VAL 78 CO 0.66 -0.03 1.79 1.55 0.00 0.00 0.00 175.10 179.07 2ka6 h PRO 79 N 8.04 1.01 0.00 2.72 0.13 -1.98 -3.09 132.00 138.83 2ka6 h PRO 79 Ca -0.36 -0.21 -0.02 0.00 -0.87 0.00 0.00 66.00 64.55 2ka6 h PRO 79 Cb 1.16 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 32.14 2ka6 h PRO 79 CO 0.92 0.87 -0.19 0.74 -0.23 0.00 0.00 178.00 180.11 2ka6 h PHE 80 N 0.98 0.00 -0.43 1.56 0.04 -1.97 -3.31 116.94 113.80 2ka6 h PHE 80 Ca 0.22 0.00 0.06 0.00 2.80 0.00 0.00 57.97 61.04 2ka6 h PHE 80 Cb 0.29 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.38 2ka6 h PHE 80 CO 0.02 0.07 0.14 0.00 -0.60 0.00 0.00 178.31 177.94 2ka6 h LEU 82 N 0.30 -0.89 -0.83 0.00 3.38 -1.70 -0.01 115.31 115.56 2ka6 h LEU 82 Ca 0.21 0.05 0.12 0.00 0.09 0.00 0.00 57.88 58.34 2ka6 h LEU 82 Cb 0.21 0.26 -0.08 0.00 0.09 0.00 0.00 40.66 41.14 2ka6 h LEU 82 CO -0.22 -0.57 0.46 0.78 0.09 0.00 0.00 178.44 178.97 2ka6 h ASN 83 N -0.91 0.61 0.18 -0.43 4.21 -1.56 -1.19 115.58 116.49 2ka6 h ASN 83 Ca -0.08 0.07 -0.01 0.00 1.21 0.00 0.00 56.30 57.49 2ka6 h ASN 83 Cb 0.73 -0.04 0.00 0.00 -1.12 0.00 0.00 38.32 37.89 2ka6 h ASN 83 CO 0.09 0.32 -0.08 0.40 -1.29 0.00 0.00 177.43 176.86 2ka6 h ILE 84 N 0.72 0.82 -0.84 2.81 2.04 -0.84 -3.21 117.51 119.00 2ka6 h ILE 84 Ca 0.43 -1.08 0.07 0.00 1.00 0.00 0.00 64.86 65.27 2ka6 h ILE 84 Cb 0.49 1.36 -0.05 0.00 -0.74 0.00 0.00 36.82 37.87 2ka6 h ILE 84 CO -0.30 0.21 0.55 0.07 0.00 0.00 0.00 178.15 178.68 2ka6 h LYS 85 N -0.86 0.89 -0.58 2.37 2.10 -0.84 0.33 116.57 119.98 2ka6 h LYS 85 Ca -0.02 -0.05 0.09 0.00 -2.00 0.00 0.00 60.65 58.66 2ka6 h LYS 85 Cb 0.52 -0.20 -0.03 0.00 -0.90 0.00 0.00 32.23 31.61 2ka6 h LYS 85 CO 0.04 0.59 0.39 0.45 -2.00 0.00 0.00 179.45 178.92 2ka6 h HIS 86 N 0.92 0.45 0.09 0.07 3.86 -1.30 -0.56 115.15 118.69 2ka6 h HIS 86 Ca 0.36 0.01 -0.24 0.00 -1.16 0.00 0.00 60.37 59.34 2ka6 h HIS 86 Cb 0.23 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.55 2ka6 h HIS 86 CO -0.00 0.22 -1.23 0.87 0.86 0.00 0.00 177.93 178.65 2ka6 h LYS 87 N 0.44 0.20 -0.80 2.45 1.57 -1.22 -3.39 116.57 115.81 2ka6 h LYS 87 Ca 0.26 -0.34 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 2ka6 h LYS 87 Cb 0.47 0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.87 2ka6 h LYS 87 CO -0.07 1.16 0.38 -0.07 -0.57 0.00 0.00 179.45 180.28 2ka6 h LEU 88 N -0.45 1.05 -2.42 2.94 4.07 -0.71 -2.91 115.31 116.89 2ka6 h LEU 88 Ca -0.27 -0.14 0.00 0.00 0.08 0.00 0.00 57.88 57.55 2ka6 h LEU 88 Cb 1.63 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 43.10 2ka6 h LEU 88 CO 0.03 0.89 0.00 0.03 -1.08 0.00 0.00 178.44 178.31 2ka6 h ARG 89 N 1.14 0.00 0.00 1.13 2.47 -1.31 -2.24 114.38 115.57 2ka6 h ARG 89 Ca 0.28 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.95 2ka6 h ARG 89 Cb 0.12 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.44 2ka6 h ARG 89 CO -0.03 0.00 -0.22 1.96 0.56 0.00 0.00 179.97 182.23 2ka6 h GLN 90 N 0.00 0.00 -7.27 0.04 1.08 -1.70 -3.46 115.11 103.80 2ka6 h GLN 90 Ca 0.00 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.70 2ka6 h GLN 90 Cb 0.12 0.00 0.09 0.00 -0.05 0.00 0.00 27.48 27.63 2ka6 h GLN 90 CO 0.00 0.22 0.37 -0.65 -0.95 0.00 0.00 178.83 177.82 2ka6 s GLN 91 N -3.43 3.03 0.00 1.46 -0.21 -0.85 -5.17 119.66 114.49 2ka6 s GLN 91 Ca 0.02 1.10 0.00 0.00 0.02 0.00 0.00 55.36 56.51 2ka6 s GLN 91 Cb 0.09 -2.00 0.00 0.00 1.00 0.00 0.00 33.01 32.10 2ka6 s GLN 91 CO 0.65 -1.04 0.00 1.04 -2.12 0.00 0.00 175.29 173.83