#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 0.21 1.43 -0.04 -1.26 -3.14 135.00 132.20 2ka6 n PRO 2 Ca 0.00 0.03 0.06 0.00 -0.04 0.00 0.00 63.50 63.55 2ka6 n PRO 2 Cb 0.00 -0.78 0.45 0.00 -0.04 0.00 0.00 33.50 33.13 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 -0.73 0.54 4.20 -2.07 -3.06 115.11 114.00 2ka6 h GLN 3 Ca 0.00 0.00 0.13 0.00 0.06 0.00 0.00 58.65 58.84 2ka6 h GLN 3 Cb 0.00 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.73 2ka6 h GLN 3 CO 0.00 0.30 0.49 0.93 -0.67 0.00 0.00 178.83 179.88 2ka6 h GLU 4 N 0.00 0.46 -0.78 1.46 3.07 -2.00 -2.32 114.58 114.47 2ka6 h GLU 4 Ca -0.00 -0.03 0.14 0.00 -0.50 0.00 0.00 59.36 58.97 2ka6 h GLU 4 Cb 0.64 -0.10 -0.09 0.00 -0.84 0.00 0.00 28.75 28.35 2ka6 h GLU 4 CO 0.04 0.31 0.35 0.66 -1.40 0.00 0.00 179.01 178.97 2ka6 h SER 5 N 0.48 0.38 0.08 1.42 4.64 -1.48 0.29 113.55 119.36 2ka6 h SER 5 Ca 0.35 0.10 -0.00 0.00 -0.47 0.00 0.00 61.79 61.77 2ka6 h SER 5 Cb 0.71 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 2ka6 h SER 5 CO -0.12 0.16 -0.04 0.03 -0.87 0.00 0.00 176.83 176.00 2ka6 h ARG 6 N 0.52 -0.10 -0.70 4.77 2.47 -1.64 -2.08 114.38 117.62 2ka6 h ARG 6 Ca 0.42 0.01 0.07 0.00 -1.26 0.00 0.00 59.98 59.22 2ka6 h ARG 6 Cb 0.61 0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 28.89 2ka6 h ARG 6 CO -0.37 0.29 0.38 0.00 0.56 0.00 0.00 179.97 180.82 2ka6 h ARG 7 N -0.50 0.65 0.00 0.04 3.08 -1.30 -1.40 114.38 114.96 2ka6 h ARG 7 Ca -0.01 -0.04 -0.18 0.00 0.07 0.00 0.00 59.98 59.82 2ka6 h ARG 7 Cb 0.43 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 2ka6 h ARG 7 CO 0.02 0.43 -0.84 -0.07 -1.07 0.00 0.00 179.97 178.44 2ka6 h LEU 8 N 0.67 0.05 -0.26 3.04 3.38 -1.04 -3.27 115.31 117.89 2ka6 h LEU 8 Ca 0.33 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.19 2ka6 h LEU 8 Cb 0.27 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2ka6 h LEU 8 CO -0.22 0.86 -0.09 0.28 0.09 0.00 0.00 178.44 179.36 2ka6 h SER 9 N 0.02 0.54 -1.01 -0.43 0.02 -0.74 -3.20 113.55 108.76 2ka6 h SER 9 Ca -0.02 -0.39 0.24 0.00 -0.84 0.00 0.00 61.79 60.78 2ka6 h SER 9 Cb 1.47 -0.15 -0.10 0.00 0.14 0.00 0.00 62.40 63.76 2ka6 h SER 9 CO 0.11 0.81 0.64 0.40 -1.14 0.00 0.00 176.83 177.64 2ka6 h ILE 10 N 0.27 0.59 -0.92 3.27 2.04 -1.32 -1.51 117.51 119.93 2ka6 h ILE 10 Ca 0.06 -0.17 0.24 0.00 1.00 0.00 0.00 64.86 65.99 2ka6 h ILE 10 Cb 0.59 0.03 -0.06 0.00 -0.74 0.00 0.00 36.82 36.64 2ka6 h ILE 10 CO 0.03 0.09 0.63 1.56 0.00 0.00 0.00 178.15 180.46 2ka6 h GLN 11 N 0.51 0.21 -0.76 2.37 1.08 -1.62 -2.08 115.11 114.81 2ka6 h GLN 11 Ca 0.58 -0.01 0.08 0.00 -1.45 0.00 0.00 58.65 57.85 2ka6 h GLN 11 Cb 1.28 -0.05 -0.07 0.00 -0.05 0.00 0.00 27.48 28.60 2ka6 h GLN 11 CO -0.33 0.14 0.43 0.07 -0.95 0.00 0.00 178.83 178.18 2ka6 h ARG 12 N 0.21 0.72 -0.03 1.46 0.11 -1.46 -1.85 114.38 113.55 2ka6 h ARG 12 Ca 0.46 -0.04 -0.24 0.00 0.10 0.00 0.00 59.98 60.26 2ka6 h ARG 12 Cb 1.47 -0.16 0.01 0.00 1.11 0.00 0.00 29.97 32.39 2ka6 h ARG 12 CO -0.11 0.48 -0.93 0.00 0.10 0.00 0.00 179.97 179.51 2ka6 h ILE 14 N 0.35 1.07 -0.58 0.00 2.04 -1.36 0.11 117.51 119.14 2ka6 h ILE 14 Ca -0.09 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 2ka6 h ILE 14 Cb 1.56 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 38.61 2ka6 h ILE 14 CO 0.17 0.06 0.28 1.56 0.00 0.00 0.00 178.15 180.23 2ka6 h GLN 15 N 0.11 0.83 -0.53 2.37 1.08 -1.41 -1.35 115.11 116.21 2ka6 h GLN 15 Ca 0.04 -0.12 -0.03 0.00 -1.45 0.00 0.00 58.65 57.10 2ka6 h GLN 15 Cb 0.05 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.30 2ka6 h GLN 15 CO -0.01 0.67 0.23 0.77 -0.95 0.00 0.00 178.83 179.54 2ka6 h SER 16 N 0.79 0.72 -0.30 1.46 0.02 -1.11 -0.78 113.55 114.35 2ka6 h SER 16 Ca 0.20 -0.16 -0.12 0.00 -0.84 0.00 0.00 61.79 60.87 2ka6 h SER 16 Cb 0.11 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 2ka6 h SER 16 CO -0.03 0.68 -0.29 0.25 -1.14 0.00 0.00 176.83 176.30 2ka6 h LEU 17 N 0.72 0.77 -0.59 5.07 5.85 -0.71 -0.62 115.31 125.80 2ka6 h LEU 17 Ca 0.18 -0.47 0.02 0.00 0.84 0.00 0.00 57.88 58.46 2ka6 h LEU 17 Cb 0.17 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 2ka6 h LEU 17 CO -0.02 1.08 0.36 0.58 -0.34 0.00 0.00 178.44 180.10 2ka6 h VAL 18 N 0.48 1.07 0.43 1.05 2.07 -1.17 -0.09 116.25 120.09 2ka6 h VAL 18 Ca 0.05 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 2ka6 h VAL 18 Cb 0.86 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 2ka6 h VAL 18 CO 0.07 0.13 -0.21 -0.74 0.02 0.00 0.00 177.57 176.84 2ka6 h HIS 19 N 0.71 -0.54 -0.51 1.57 -0.00 -1.06 -3.05 115.15 112.27 2ka6 h HIS 19 Ca 0.23 -0.01 0.09 0.00 -0.00 0.00 0.00 60.37 60.69 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 -0.05 -0.33 0.35 0.00 -0.00 0.00 0.00 177.93 177.90 2ka6 h ALA 20 N -0.03 2.09 0.00 5.26 0.00 -0.76 0.83 119.26 126.66 2ka6 h ALA 20 Ca -0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2ka6 h ALA 20 Cb 0.45 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 2ka6 h ALA 20 CO 0.10 -0.21 -0.07 0.00 0.00 0.00 0.00 179.25 179.07 2ka6 n GLN 22 N -3.30 1.38 -1.99 0.00 6.02 -0.35 -4.95 117.38 114.18 2ka6 n GLN 22 Ca -0.01 -0.03 -0.33 0.00 -0.01 0.00 0.00 57.00 56.62 2ka6 n GLN 22 Cb 0.25 -1.39 0.02 0.00 1.02 0.00 0.00 30.24 30.14 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 -2.07 3.21 -1.75 0.00 5.12 -1.26 -4.90 116.66 115.01 2ka6 n ARG 24 Ca 0.09 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.61 2ka6 n ARG 24 Cb 0.53 -0.44 0.01 0.00 -1.16 0.00 0.00 32.46 31.40 2ka6 n ARG 24 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2ka6 n ASN 25 N -0.44 3.32 0.20 0.55 2.85 -1.26 -4.94 115.26 115.54 2ka6 n ASN 25 Ca 0.00 1.16 0.09 0.00 -0.11 0.00 0.00 54.58 55.73 2ka6 n ASN 25 Cb 0.00 -1.58 0.28 0.00 1.24 0.00 0.00 39.78 39.72 2ka6 n ASN 25 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2ka6 h ALA 26 N 2.51 0.91 -0.85 5.20 0.00 -2.01 -3.36 119.26 121.67 2ka6 h ALA 26 Ca -0.50 -0.19 -0.33 0.00 0.00 0.00 0.00 54.91 53.89 2ka6 h ALA 26 Cb 1.26 -0.03 -0.40 0.00 0.00 0.00 0.00 17.79 18.62 2ka6 h ALA 26 CO 0.62 0.27 -1.17 0.09 0.00 0.00 0.00 179.25 179.06 2ka6 n ASN 27 N -3.22 1.55 -4.59 0.00 3.02 -1.26 -4.96 115.26 105.80 2ka6 n ASN 27 Ca 0.02 -2.54 -0.40 0.00 -0.03 0.00 0.00 54.58 51.63 2ka6 n ASN 27 Cb 0.53 -0.51 0.02 0.00 -0.61 0.00 0.00 39.78 39.21 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 1.13 0.00 -3.33 0.00 4.64 -2.00 -3.42 113.55 110.57 2ka6 h SER 29 Ca -0.45 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.31 2ka6 h SER 29 Cb 1.35 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.40 2ka6 h SER 29 CO 0.54 0.00 0.40 -0.76 -0.87 0.00 0.00 176.83 176.15 2ka6 s LEU 30 N -4.93 4.28 0.35 5.97 1.43 -1.26 -4.96 118.68 119.56 2ka6 s LEU 30 Ca -0.01 1.46 0.08 0.00 -1.03 0.00 0.00 54.13 54.63 2ka6 s LEU 30 Cb 0.08 -3.44 0.65 0.00 0.03 0.00 0.00 46.19 43.52 2ka6 s LEU 30 CO 0.30 -0.33 1.84 1.55 0.23 0.00 0.00 176.35 179.93 2ka6 h PRO 31 N 6.99 0.26 -0.10 1.29 0.13 -2.01 -3.11 132.00 135.45 2ka6 h PRO 31 Ca -0.35 -0.08 -0.09 0.00 -0.87 0.00 0.00 66.00 64.60 2ka6 h PRO 31 Cb 1.17 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2ka6 h PRO 31 CO 0.80 0.47 -0.31 0.66 -0.23 0.00 0.00 178.00 179.40 2ka6 h SER 32 N 0.23 0.44 -0.59 1.44 4.64 -1.95 -3.30 113.55 114.46 2ka6 h SER 32 Ca 0.04 -0.61 0.12 0.00 -0.47 0.00 0.00 61.79 60.87 2ka6 h SER 32 Cb 0.53 -0.13 -0.10 0.00 -0.31 0.00 0.00 62.40 62.39 2ka6 h SER 32 CO 0.04 0.97 -0.05 0.00 -0.87 0.00 0.00 176.83 176.92 2ka6 h GLN 34 N 0.08 0.00 0.09 0.00 4.20 -1.64 -2.11 115.11 115.72 2ka6 h GLN 34 Ca 0.30 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.70 2ka6 h GLN 34 Cb 0.48 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 2ka6 h GLN 34 CO -0.54 0.00 -1.68 -0.22 -0.67 0.00 0.00 178.83 175.72 2ka6 h LYS 35 N 0.00 0.18 -0.93 1.46 3.64 -1.14 -3.35 116.57 116.44 2ka6 h LYS 35 Ca 0.16 -0.31 0.09 0.00 -1.27 0.00 0.00 60.65 59.32 2ka6 h LYS 35 Cb 0.66 0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 32.52 2ka6 h LYS 35 CO -0.00 1.15 0.60 0.52 -2.27 0.00 0.00 179.45 179.45 2ka6 h MET 36 N -0.32 0.93 -0.34 1.90 2.86 -0.37 -0.46 114.93 119.13 2ka6 h MET 36 Ca -0.38 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.19 2ka6 h MET 36 Cb 1.77 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 33.20 2ka6 h MET 36 CO -0.01 0.61 0.17 0.87 1.06 0.00 0.00 176.91 179.62 2ka6 h LYS 37 N 0.96 0.48 -0.59 1.72 1.57 -1.57 -1.10 116.57 118.03 2ka6 h LYS 37 Ca 0.43 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 59.09 2ka6 h LYS 37 Cb 0.38 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 2ka6 h LYS 37 CO -0.19 0.43 0.16 0.00 -0.57 0.00 0.00 179.45 179.28 2ka6 h ARG 38 N 0.42 0.91 0.27 3.15 3.08 -1.45 -1.94 114.38 118.81 2ka6 h ARG 38 Ca 0.12 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 2ka6 h ARG 38 Cb 0.10 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.02 2ka6 h ARG 38 CO -0.02 0.81 -0.13 0.28 -1.07 0.00 0.00 179.97 179.84 2ka6 h VAL 39 N 0.88 0.78 -0.53 2.04 2.07 -0.87 -1.01 116.25 119.61 2ka6 h VAL 39 Ca 0.19 -0.28 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 2ka6 h VAL 39 Cb 0.30 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 2ka6 h VAL 39 CO -0.00 0.06 0.19 1.62 0.02 0.00 0.00 177.57 179.45 2ka6 h VAL 40 N -0.50 1.23 -0.77 2.57 3.04 -1.17 -2.71 116.25 117.93 2ka6 h VAL 40 Ca -0.04 -0.73 0.08 0.00 -1.01 0.00 0.00 66.70 65.00 2ka6 h VAL 40 Cb 0.37 0.71 -0.07 0.00 -2.01 0.00 0.00 31.29 30.30 2ka6 h VAL 40 CO 0.06 0.27 0.43 1.56 -1.01 0.00 0.00 177.57 178.88 2ka6 h GLN 41 N 0.72 0.72 0.58 4.17 1.08 -1.31 -0.09 115.11 120.97 2ka6 h GLN 41 Ca 0.17 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.31 2ka6 h GLN 41 Cb 0.24 -0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 27.51 2ka6 h GLN 41 CO -0.01 0.47 -0.32 1.25 -0.95 0.00 0.00 178.83 179.28 2ka6 h HIS 42 N 0.74 -0.84 -0.61 2.96 -0.00 -0.97 -3.13 115.15 113.31 2ka6 h HIS 42 Ca 0.36 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.72 2ka6 h HIS 42 Cb 0.31 0.29 -0.03 0.00 -0.00 0.00 0.00 27.41 27.98 2ka6 h HIS 42 CO -0.07 -0.50 0.38 1.15 -0.00 0.00 0.00 177.93 178.89 2ka6 h THR 43 N -0.83 1.17 0.00 6.26 2.02 -1.17 -1.24 112.91 119.11 2ka6 h THR 43 Ca -0.07 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.75 2ka6 h THR 43 Cb 0.66 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 2ka6 h THR 43 CO 0.10 0.17 0.00 0.29 0.37 0.00 0.00 175.52 176.45 2ka6 n LYS 44 N -4.42 0.01 -0.31 6.66 5.02 -0.08 -2.84 118.16 122.21 2ka6 n LYS 44 Ca 0.06 0.31 0.00 0.00 -2.02 0.00 0.00 58.31 56.66 2ka6 n LYS 44 Cb 0.06 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.57 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 -1.22 -0.18 3.73 0.72 0.00 -0.66 -5.07 105.19 102.52 2ka6 n GLY 45 Ca 0.01 0.00 -0.37 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 -1.92 1.51 0.00 0.00 4.76 -1.26 -4.76 118.16 116.49 2ka6 n LYS 47 Ca 0.15 -1.53 0.00 0.00 -2.87 0.00 0.00 58.31 54.06 2ka6 n LYS 47 Cb 0.49 -1.24 0.00 0.00 -1.84 0.00 0.00 35.03 32.44 2ka6 n LYS 47 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 2ka6 n ARG 48 N 0.58 0.00 0.00 1.97 1.85 -1.26 -5.02 116.66 114.78 2ka6 n ARG 48 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.94 2ka6 n ARG 48 Cb 0.34 -0.48 0.00 0.00 -1.05 0.00 0.00 32.46 31.27 2ka6 n ARG 48 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 2ka6 n LYS 49 N -2.04 0.00 -0.08 2.89 0.00 -1.26 -0.75 118.16 116.92 2ka6 n LYS 49 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 58.31 58.35 2ka6 n LYS 49 Cb 0.14 0.00 0.37 0.00 -0.00 0.00 0.00 35.03 35.54 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 1.11 0.00 0.58 1.35 -1.91 0.47 112.91 114.50 2ka6 h THR 50 Ca 0.00 -0.24 -0.10 0.00 -0.55 0.00 0.00 66.41 65.52 2ka6 h THR 50 Cb 0.00 0.36 -0.01 0.00 -1.73 0.00 0.00 68.15 66.76 2ka6 h THR 50 CO 0.00 0.13 -0.47 0.78 -0.25 0.00 0.00 175.52 175.71 2ka6 h ASN 51 N 0.69 0.00 0.02 5.36 4.21 -1.97 -3.32 115.58 120.56 2ka6 h ASN 51 Ca 0.21 0.00 -0.38 0.00 1.21 0.00 0.00 56.30 57.34 2ka6 h ASN 51 Cb -0.01 0.00 -0.07 0.00 -1.12 0.00 0.00 38.32 37.12 2ka6 h ASN 51 CO -0.05 0.47 -2.41 0.61 -1.29 0.00 0.00 177.43 174.76 2ka6 n GLY 52 N -0.00 -0.61 0.00 2.83 0.00 0.08 -5.04 105.19 102.44 2ka6 n GLY 52 Ca -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 2.05 0.03 3.67 -0.02 0.00 -0.27 -5.00 105.19 105.65 2ka6 n GLY 53 Ca -0.40 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.17 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 9.57 0.00 0.21 0.00 0.13 -1.99 -3.02 132.00 136.90 2ka6 h PRO 55 Ca -0.49 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 2ka6 h PRO 55 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2ka6 h PRO 55 CO 0.94 0.20 -0.10 0.28 -0.23 0.00 0.00 178.00 179.09 2ka6 h VAL 56 N 0.00 0.00 -0.39 1.56 2.07 -1.97 -3.07 116.25 114.45 2ka6 h VAL 56 Ca -0.00 -0.72 0.08 0.00 0.82 0.00 0.00 66.70 66.88 2ka6 h VAL 56 Cb 0.79 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.47 2ka6 h VAL 56 CO 0.03 0.00 -0.27 0.00 0.02 0.00 0.00 177.57 177.35 2ka6 h LYS 58 N -0.20 0.05 -0.07 0.00 3.64 -1.68 -1.87 116.57 116.44 2ka6 h LYS 58 Ca 0.18 -0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.40 2ka6 h LYS 58 Cb 0.49 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.31 2ka6 h LYS 58 CO -0.51 0.03 -0.57 0.37 -2.27 0.00 0.00 179.45 176.50 2ka6 h GLN 59 N 0.05 0.51 -0.13 1.90 4.15 -0.89 -2.80 115.11 117.90 2ka6 h GLN 59 Ca 0.28 -0.46 0.00 0.00 0.77 0.00 0.00 58.65 59.24 2ka6 h GLN 59 Cb 1.04 0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.83 2ka6 h GLN 59 CO -0.02 1.09 0.08 -0.07 -1.93 0.00 0.00 178.83 177.99 2ka6 h LEU 60 N 0.09 0.15 -0.98 -2.39 4.07 -0.87 -2.09 115.31 113.29 2ka6 h LEU 60 Ca -0.05 -0.02 0.10 0.00 0.08 0.00 0.00 57.88 57.99 2ka6 h LEU 60 Cb 1.23 -0.04 -0.08 0.00 1.08 0.00 0.00 40.66 42.86 2ka6 h LEU 60 CO 0.12 0.12 0.61 0.40 -1.08 0.00 0.00 178.44 178.61 2ka6 h ILE 61 N 0.16 0.97 0.18 1.22 1.08 -1.47 0.14 117.51 119.79 2ka6 h ILE 61 Ca 0.05 -0.35 -0.01 0.00 -0.39 0.00 0.00 64.86 64.16 2ka6 h ILE 61 Cb -0.01 -0.14 0.00 0.00 -3.07 0.00 0.00 36.82 33.60 2ka6 h ILE 61 CO -0.01 0.19 -0.08 0.00 -0.69 0.00 0.00 178.15 177.55 2ka6 h ALA 62 N 1.50 -0.24 -0.69 1.87 0.00 -1.21 0.78 119.26 121.28 2ka6 h ALA 62 Ca 0.46 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.32 2ka6 h ALA 62 Cb 0.37 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 2ka6 h ALA 62 CO -0.24 -0.53 0.35 1.25 0.00 0.00 0.00 179.25 180.09 2ka6 h LEU 63 N -0.45 0.48 -0.23 0.00 6.46 -0.83 -1.30 115.31 119.44 2ka6 h LEU 63 Ca -0.02 0.05 -0.07 0.00 -0.12 0.00 0.00 57.88 57.72 2ka6 h LEU 63 Cb 0.35 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.23 2ka6 h LEU 63 CO 0.04 0.29 -0.13 0.00 -0.62 0.00 0.00 178.44 178.02 2ka6 h TYR 66 N 0.51 0.77 0.00 0.00 3.20 -1.27 -2.18 116.97 118.00 2ka6 h TYR 66 Ca 0.26 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.12 2ka6 h TYR 66 Cb 0.21 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 2ka6 h TYR 66 CO -0.12 0.43 -0.21 1.25 -1.64 0.00 0.00 178.16 177.87 2ka6 h HIS 67 N 0.78 0.00 -0.97 -3.82 2.76 -1.37 -3.40 115.15 109.13 2ka6 h HIS 67 Ca 0.29 0.00 0.18 0.00 -2.20 0.00 0.00 60.37 58.64 2ka6 h HIS 67 Cb 0.16 0.00 -0.10 0.00 1.55 0.00 0.00 27.41 29.02 2ka6 h HIS 67 CO -0.00 0.81 0.57 0.00 -1.30 0.00 0.00 177.93 178.01 2ka6 h ALA 68 N -0.34 1.59 -0.16 5.26 0.00 -0.48 -1.00 119.26 124.13 2ka6 h ALA 68 Ca -0.05 0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2ka6 h ALA 68 Cb 0.80 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2ka6 h ALA 68 CO -0.03 -0.05 0.08 1.57 0.00 0.00 0.00 179.25 180.82 2ka6 h LYS 69 N 0.74 0.17 0.00 0.00 2.10 -1.60 -2.54 116.57 115.44 2ka6 h LYS 69 Ca 0.56 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 59.19 2ka6 h LYS 69 Cb 0.84 -0.04 -0.00 0.00 -0.90 0.00 0.00 32.23 32.13 2ka6 h LYS 69 CO -0.38 0.11 -0.03 0.45 -2.00 0.00 0.00 179.45 177.60 2ka6 h HIS 70 N 0.18 0.00 -4.33 0.07 3.86 -1.66 -3.46 115.15 109.81 2ka6 h HIS 70 Ca 0.06 0.00 -0.51 0.00 -1.16 0.00 0.00 60.37 58.76 2ka6 h HIS 70 Cb 0.01 0.00 0.10 0.00 1.06 0.00 0.00 27.41 28.58 2ka6 h HIS 70 CO -0.09 0.03 0.36 0.00 0.86 0.00 0.00 177.93 179.09 2ka6 n GLN 72 N -3.20 0.88 -2.24 0.00 1.13 -1.26 -4.97 117.38 107.72 2ka6 n GLN 72 Ca 0.07 0.00 -0.32 0.00 -1.94 0.00 0.00 57.00 54.81 2ka6 n GLN 72 Cb 0.54 -0.07 -0.02 0.00 0.11 0.00 0.00 30.24 30.80 2ka6 n GLN 72 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 2ka6 s GLU 73 N 0.00 3.70 0.00 -1.09 2.56 -1.26 -5.00 118.70 117.60 2ka6 s GLU 73 Ca 0.00 1.03 0.12 0.00 0.00 0.00 0.00 54.97 56.12 2ka6 s GLU 73 Cb 0.00 -2.09 0.01 0.00 2.00 0.00 0.00 34.13 34.04 2ka6 s GLU 73 CO 0.00 -0.49 0.72 0.09 -0.56 0.00 0.00 175.26 175.02 2ka6 n ASN 74 N -1.82 1.41 -0.20 -1.70 4.13 -1.26 -4.50 115.26 111.32 2ka6 n ASN 74 Ca 0.07 -1.20 0.04 0.00 1.68 0.00 0.00 54.58 55.17 2ka6 n ASN 74 Cb 0.54 0.42 0.08 0.00 -1.54 0.00 0.00 39.78 39.28 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 -0.11 2.53 -1.65 3.52 4.76 -1.26 -5.00 118.16 120.94 2ka6 n LYS 75 Ca 0.05 -1.99 -0.44 0.00 -2.87 0.00 0.00 58.31 53.06 2ka6 n LYS 75 Cb 0.25 -1.25 -0.01 0.00 -1.84 0.00 0.00 35.03 32.18 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 2.52 0.00 -6.54 0.00 0.13 -1.96 -3.44 132.00 122.71 2ka6 h PRO 77 Ca -0.43 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.17 2ka6 h PRO 77 Cb 1.31 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.46 2ka6 h PRO 77 CO 0.63 0.29 0.72 0.08 -0.23 0.00 0.00 178.00 179.49 2ka6 s VAL 78 N -3.98 3.37 0.21 1.56 1.01 -1.26 -4.87 120.40 116.44 2ka6 s VAL 78 Ca -0.02 0.98 -0.07 0.00 0.00 0.00 0.00 61.98 62.87 2ka6 s VAL 78 Cb 0.13 -3.63 0.10 0.00 0.00 0.00 0.00 36.38 32.98 2ka6 s VAL 78 CO 0.67 0.07 1.70 1.55 0.00 0.00 0.00 175.10 179.09 2ka6 h PRO 79 N 6.84 1.06 0.00 2.72 0.13 -1.99 -3.21 132.00 137.55 2ka6 h PRO 79 Ca -0.42 -0.28 -0.11 0.00 -0.87 0.00 0.00 66.00 64.31 2ka6 h PRO 79 Cb 1.21 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 2ka6 h PRO 79 CO 0.86 0.98 -0.58 0.74 -0.23 0.00 0.00 178.00 179.77 2ka6 h PHE 80 N 0.99 0.00 -0.37 1.56 0.04 -1.97 -3.35 116.94 113.84 2ka6 h PHE 80 Ca 0.19 0.00 0.08 0.00 2.80 0.00 0.00 57.97 61.04 2ka6 h PHE 80 Cb 0.44 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 38.51 2ka6 h PHE 80 CO 0.03 0.53 -0.27 0.00 -0.60 0.00 0.00 178.31 178.01 2ka6 h LEU 82 N -0.21 -0.13 -0.79 0.00 -0.00 -1.74 -1.59 115.31 110.85 2ka6 h LEU 82 Ca 0.18 -0.10 0.15 0.00 -0.00 0.00 0.00 57.88 58.11 2ka6 h LEU 82 Cb 0.50 0.03 -0.10 0.00 -0.00 0.00 0.00 40.66 41.09 2ka6 h LEU 82 CO -0.50 0.02 0.33 0.78 -0.00 0.00 0.00 178.44 179.08 2ka6 h ASN 83 N -0.28 0.32 0.19 -0.43 2.35 -1.56 -1.29 115.58 114.89 2ka6 h ASN 83 Ca -0.02 0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 2ka6 h ASN 83 Cb 0.23 0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.68 2ka6 h ASN 83 CO 0.03 0.11 -0.09 0.40 -1.65 0.00 0.00 177.43 176.22 2ka6 h ILE 84 N 0.47 0.33 -0.97 2.81 2.04 -0.95 -3.17 117.51 118.07 2ka6 h ILE 84 Ca 0.44 -0.97 0.11 0.00 1.00 0.00 0.00 64.86 65.44 2ka6 h ILE 84 Cb 0.69 0.58 -0.08 0.00 -0.74 0.00 0.00 36.82 37.27 2ka6 h ILE 84 CO -0.42 0.10 0.60 0.07 0.00 0.00 0.00 178.15 178.50 2ka6 h LYS 85 N -1.02 0.96 -0.91 2.37 2.10 -1.16 -0.37 116.57 118.55 2ka6 h LYS 85 Ca -0.03 -0.06 -0.01 0.00 -2.00 0.00 0.00 60.65 58.55 2ka6 h LYS 85 Cb 0.36 -0.22 -0.04 0.00 -0.90 0.00 0.00 32.23 31.43 2ka6 h LYS 85 CO 0.04 0.63 0.52 0.45 -2.00 0.00 0.00 179.45 179.10 2ka6 h HIS 86 N 0.99 1.22 -0.24 0.07 3.86 -1.38 -0.66 115.15 119.01 2ka6 h HIS 86 Ca 0.47 -0.02 -0.09 0.00 -1.16 0.00 0.00 60.37 59.57 2ka6 h HIS 86 Cb 0.41 -0.40 -0.00 0.00 1.06 0.00 0.00 27.41 28.48 2ka6 h HIS 86 CO -0.01 0.83 -0.21 0.87 0.86 0.00 0.00 177.93 180.26 2ka6 h LYS 87 N 1.26 0.56 -0.38 2.45 1.57 -1.19 -2.93 116.57 117.91 2ka6 h LYS 87 Ca 0.32 -0.28 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2ka6 h LYS 87 Cb -0.01 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 2ka6 h LYS 87 CO -0.06 0.87 0.15 -0.07 -0.57 0.00 0.00 179.45 179.77 2ka6 h LEU 88 N 0.26 0.52 -1.30 2.94 3.38 -0.84 -2.38 115.31 117.89 2ka6 h LEU 88 Ca 0.04 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.85 2ka6 h LEU 88 Cb 0.75 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 2ka6 h LEU 88 CO 0.05 0.55 0.48 0.03 0.09 0.00 0.00 178.44 179.64 2ka6 h ARG 89 N 0.46 0.94 -0.10 1.13 2.47 -1.20 -0.20 114.38 117.89 2ka6 h ARG 89 Ca 0.13 -0.06 -0.13 0.00 -1.26 0.00 0.00 59.98 58.66 2ka6 h ARG 89 Cb 0.19 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 28.29 2ka6 h ARG 89 CO -0.01 0.62 -0.49 1.96 0.56 0.00 0.00 179.97 182.61 2ka6 h GLN 90 N 0.97 0.26 0.09 0.04 1.08 -1.32 -3.21 115.11 113.02 2ka6 h GLN 90 Ca 0.27 -0.15 -0.26 0.00 -1.45 0.00 0.00 58.65 57.06 2ka6 h GLN 90 Cb -0.11 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.34 2ka6 h GLN 90 CO -0.06 0.70 -1.15 0.37 -0.95 0.00 0.00 178.83 177.74 2ka6 h GLN 91 N 0.21 0.28 0.00 1.46 5.75 -0.90 -3.52 115.11 118.39 2ka6 h GLN 91 Ca 0.01 -0.42 0.00 0.00 -0.15 0.00 0.00 58.65 58.08 2ka6 h GLN 91 Cb 0.95 0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.65 2ka6 h GLN 91 CO 0.08 1.17 0.00 0.94 -2.65 0.00 0.00 178.83 178.37