#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 -2.35 135.00 132.92 2ka6 n PRO 2 Ca 0.00 0.24 -0.01 0.00 -0.04 0.00 0.00 63.50 63.69 2ka6 n PRO 2 Cb 0.00 -1.05 0.19 0.00 -0.04 0.00 0.00 33.50 32.60 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 0.02 -0.96 0.54 7.50 -2.06 -3.22 115.11 116.93 2ka6 h GLN 3 Ca 0.00 -0.01 0.09 0.00 0.50 0.00 0.00 58.65 59.22 2ka6 h GLN 3 Cb 0.00 0.00 -0.07 0.00 0.05 0.00 0.00 27.48 27.46 2ka6 h GLN 3 CO 0.00 0.59 0.62 0.93 -1.50 0.00 0.00 178.83 179.47 2ka6 h GLU 4 N 0.02 1.01 -0.95 1.46 5.08 -2.00 -2.02 114.58 117.17 2ka6 h GLU 4 Ca -0.01 -0.06 0.09 0.00 -1.00 0.00 0.00 59.36 58.39 2ka6 h GLU 4 Cb 1.03 -0.23 -0.07 0.00 0.50 0.00 0.00 28.75 29.98 2ka6 h GLU 4 CO 0.08 0.67 0.61 0.77 -1.00 0.00 0.00 179.01 180.14 2ka6 h SER 5 N 1.04 0.91 0.15 1.42 0.02 -1.47 0.21 113.55 115.82 2ka6 h SER 5 Ca 0.44 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.40 2ka6 h SER 5 Cb 0.31 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.68 2ka6 h SER 5 CO -0.19 0.54 -0.07 0.03 -1.14 0.00 0.00 176.83 176.00 2ka6 h ARG 6 N 1.01 -0.19 -0.68 3.45 3.08 -1.57 -2.51 114.38 116.97 2ka6 h ARG 6 Ca 0.44 0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.61 2ka6 h ARG 6 Cb 0.35 0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.36 2ka6 h ARG 6 CO -0.20 0.25 0.28 0.00 -1.07 0.00 0.00 179.97 179.23 2ka6 h ARG 7 N -0.76 0.45 -0.03 0.04 3.08 -1.12 -1.61 114.38 114.44 2ka6 h ARG 7 Ca -0.02 -0.03 -0.18 0.00 0.07 0.00 0.00 59.98 59.82 2ka6 h ARG 7 Cb 0.53 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 2ka6 h ARG 7 CO 0.03 0.30 -0.78 -0.07 -1.07 0.00 0.00 179.97 178.38 2ka6 h LEU 8 N 0.47 0.29 -0.58 3.04 3.38 -1.07 -3.24 115.31 117.59 2ka6 h LEU 8 Ca 0.35 -0.21 -0.13 0.00 0.09 0.00 0.00 57.88 57.99 2ka6 h LEU 8 Cb 0.45 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2ka6 h LEU 8 CO -0.33 0.96 -0.22 0.28 0.09 0.00 0.00 178.44 179.22 2ka6 h SER 9 N 0.15 0.92 -0.69 -0.43 0.02 -0.92 -3.01 113.55 109.59 2ka6 h SER 9 Ca -0.03 -0.34 0.07 0.00 -0.84 0.00 0.00 61.79 60.64 2ka6 h SER 9 Cb 1.36 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 63.61 2ka6 h SER 9 CO 0.12 1.10 0.46 0.40 -1.14 0.00 0.00 176.83 177.77 2ka6 h ILE 10 N 0.78 1.01 -0.79 3.27 2.04 -1.35 -2.26 117.51 120.21 2ka6 h ILE 10 Ca 0.10 -0.24 0.10 0.00 1.00 0.00 0.00 64.86 65.82 2ka6 h ILE 10 Cb 0.77 0.25 -0.07 0.00 -0.74 0.00 0.00 36.82 37.03 2ka6 h ILE 10 CO 0.06 0.13 0.44 1.56 0.00 0.00 0.00 178.15 180.34 2ka6 h GLN 11 N 0.69 0.71 -0.93 2.37 1.08 -1.55 -1.27 115.11 116.21 2ka6 h GLN 11 Ca 0.30 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.45 2ka6 h GLN 11 Cb 0.29 -0.16 -0.05 0.00 -0.05 0.00 0.00 27.48 27.51 2ka6 h GLN 11 CO -0.10 0.47 0.57 0.00 -0.95 0.00 0.00 178.83 178.82 2ka6 h ARG 12 N 0.73 1.26 -0.47 1.46 3.08 -1.51 -0.67 114.38 118.25 2ka6 h ARG 12 Ca 0.39 -0.11 -0.10 0.00 0.07 0.00 0.00 59.98 60.22 2ka6 h ARG 12 Cb 0.38 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 2ka6 h ARG 12 CO -0.26 0.88 -0.11 0.00 -1.07 0.00 0.00 179.97 179.40 2ka6 h ILE 14 N 0.76 1.04 -0.98 0.00 2.04 -0.77 -0.74 117.51 118.86 2ka6 h ILE 14 Ca 0.12 -0.08 0.03 0.00 1.00 0.00 0.00 64.86 65.93 2ka6 h ILE 14 Cb 0.66 0.90 -0.05 0.00 -0.74 0.00 0.00 36.82 37.59 2ka6 h ILE 14 CO 0.05 0.03 0.64 1.56 0.00 0.00 0.00 178.15 180.43 2ka6 h GLN 15 N 0.13 1.22 -0.47 2.37 1.08 -1.07 0.04 115.11 118.41 2ka6 h GLN 15 Ca 0.04 -0.07 -0.03 0.00 -1.45 0.00 0.00 58.65 57.13 2ka6 h GLN 15 Cb -0.00 -0.28 -0.02 0.00 -0.05 0.00 0.00 27.48 27.13 2ka6 h GLN 15 CO -0.01 0.81 0.16 0.77 -0.95 0.00 0.00 178.83 179.61 2ka6 h SER 16 N 1.26 0.66 -0.38 1.46 0.02 -0.88 -0.35 113.55 115.35 2ka6 h SER 16 Ca 0.38 -0.19 -0.12 0.00 -0.84 0.00 0.00 61.79 61.02 2ka6 h SER 16 Cb -0.04 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 2ka6 h SER 16 CO -0.11 0.68 -0.24 0.25 -1.14 0.00 0.00 176.83 176.26 2ka6 h LEU 17 N 0.62 0.87 -0.54 5.07 5.85 -0.79 -1.14 115.31 125.24 2ka6 h LEU 17 Ca 0.15 -0.43 0.01 0.00 0.84 0.00 0.00 57.88 58.46 2ka6 h LEU 17 Cb 0.24 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 2ka6 h LEU 17 CO -0.01 1.11 0.35 0.58 -0.34 0.00 0.00 178.44 180.13 2ka6 h VAL 18 N 0.63 1.11 0.44 1.05 2.07 -0.91 -0.54 116.25 120.09 2ka6 h VAL 18 Ca 0.08 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 2ka6 h VAL 18 Cb 0.81 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 2ka6 h VAL 18 CO 0.07 0.13 -0.24 -0.74 0.02 0.00 0.00 177.57 176.80 2ka6 h HIS 19 N 0.70 -0.63 -0.63 1.57 -0.00 -0.98 -3.02 115.15 112.16 2ka6 h HIS 19 Ca 0.21 -0.01 0.12 0.00 -0.00 0.00 0.00 60.37 60.69 2ka6 h HIS 19 Cb -0.04 0.22 -0.04 0.00 -0.00 0.00 0.00 27.41 27.55 2ka6 h HIS 19 CO -0.05 -0.38 0.43 0.00 -0.00 0.00 0.00 177.93 177.93 2ka6 h ALA 20 N -0.09 2.14 0.00 5.26 0.00 -0.88 0.11 119.26 125.80 2ka6 h ALA 20 Ca -0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2ka6 h ALA 20 Cb 0.50 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2ka6 h ALA 20 CO 0.07 -0.30 -0.20 0.00 0.00 0.00 0.00 179.25 178.83 2ka6 n GLN 22 N -3.67 0.68 -1.83 0.00 6.02 -0.44 -4.93 117.38 113.21 2ka6 n GLN 22 Ca -0.01 0.05 -0.33 0.00 -0.01 0.00 0.00 57.00 56.69 2ka6 n GLN 22 Cb 0.32 -1.54 0.04 0.00 1.02 0.00 0.00 30.24 30.08 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 -2.28 1.71 -1.67 0.00 5.12 -1.26 -4.90 116.66 113.38 2ka6 n ARG 24 Ca 0.10 -0.01 -0.44 0.00 -1.93 0.00 0.00 57.85 55.57 2ka6 n ARG 24 Cb 0.52 -0.18 -0.03 0.00 -1.16 0.00 0.00 32.46 31.60 2ka6 n ARG 24 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2ka6 n ASN 25 N -0.25 3.96 0.28 0.55 3.02 -1.26 -4.89 115.26 116.66 2ka6 n ASN 25 Ca 0.00 0.94 0.16 0.00 -0.03 0.00 0.00 54.58 55.65 2ka6 n ASN 25 Cb 0.02 -1.49 0.81 0.00 -0.61 0.00 0.00 39.78 38.51 2ka6 n ASN 25 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ka6 h ALA 26 N 9.81 1.14 -0.92 5.41 0.00 -2.01 -3.26 119.26 129.42 2ka6 h ALA 26 Ca -0.49 -0.06 -0.34 0.00 0.00 0.00 0.00 54.91 54.01 2ka6 h ALA 26 Cb 1.25 -0.01 -0.40 0.00 0.00 0.00 0.00 17.79 18.62 2ka6 h ALA 26 CO 0.94 0.09 -1.19 0.09 0.00 0.00 0.00 179.25 179.18 2ka6 n ASN 27 N -3.37 1.46 -4.52 0.00 3.02 -1.26 -4.95 115.26 105.65 2ka6 n ASN 27 Ca -0.01 -2.62 -0.39 0.00 -0.03 0.00 0.00 54.58 51.53 2ka6 n ASN 27 Cb 0.23 -0.52 0.03 0.00 -0.61 0.00 0.00 39.78 38.91 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 0.58 0.00 -3.35 0.00 4.64 -2.00 -3.42 113.55 110.00 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 1.38 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.43 2ka6 h SER 29 CO 0.50 0.00 0.32 -0.76 -0.87 0.00 0.00 176.83 176.02 2ka6 s LEU 30 N -4.88 4.29 0.36 5.97 1.43 -1.26 -4.97 118.68 119.61 2ka6 s LEU 30 Ca -0.00 1.37 0.08 0.00 -1.03 0.00 0.00 54.13 54.54 2ka6 s LEU 30 Cb 0.08 -3.33 0.68 0.00 0.03 0.00 0.00 46.19 43.65 2ka6 s LEU 30 CO 0.32 -0.28 1.86 1.55 0.23 0.00 0.00 176.35 180.03 2ka6 h PRO 31 N 6.97 0.30 -0.09 1.29 0.13 -2.01 -3.07 132.00 135.51 2ka6 h PRO 31 Ca -0.36 -0.08 -0.08 0.00 -0.87 0.00 0.00 66.00 64.60 2ka6 h PRO 31 Cb 1.18 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2ka6 h PRO 31 CO 0.79 0.46 -0.26 0.66 -0.23 0.00 0.00 178.00 179.42 2ka6 h SER 32 N 0.28 0.39 -0.60 1.44 4.64 -1.95 -3.30 113.55 114.45 2ka6 h SER 32 Ca 0.05 -0.60 0.13 0.00 -0.47 0.00 0.00 61.79 60.90 2ka6 h SER 32 Cb 0.46 -0.11 -0.10 0.00 -0.31 0.00 0.00 62.40 62.33 2ka6 h SER 32 CO 0.03 0.92 -0.02 0.00 -0.87 0.00 0.00 176.83 176.90 2ka6 h GLN 34 N 0.10 0.25 0.11 0.00 4.20 -1.64 -2.22 115.11 115.92 2ka6 h GLN 34 Ca 0.31 -0.01 -0.31 0.00 0.06 0.00 0.00 58.65 58.69 2ka6 h GLN 34 Cb 0.50 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 2ka6 h GLN 34 CO -0.53 0.16 -1.66 -0.22 -0.67 0.00 0.00 178.83 175.91 2ka6 h LYS 35 N 0.25 0.24 -0.97 1.46 3.64 -1.15 -3.34 116.57 116.70 2ka6 h LYS 35 Ca 0.25 -0.41 0.07 0.00 -1.27 0.00 0.00 60.65 59.28 2ka6 h LYS 35 Cb 0.64 0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 32.55 2ka6 h LYS 35 CO -0.05 1.20 0.62 0.52 -2.27 0.00 0.00 179.45 179.47 2ka6 h MET 36 N -0.20 1.09 -0.44 1.90 2.86 -0.45 -0.97 114.93 118.71 2ka6 h MET 36 Ca -0.36 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.21 2ka6 h MET 36 Cb 1.85 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 33.24 2ka6 h MET 36 CO 0.05 0.72 0.27 0.87 1.06 0.00 0.00 176.91 179.88 2ka6 h LYS 37 N 1.12 0.60 -0.78 1.72 1.57 -1.58 -1.22 116.57 118.01 2ka6 h LYS 37 Ca 0.43 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 59.12 2ka6 h LYS 37 Cb 0.19 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.34 2ka6 h LYS 37 CO -0.18 0.45 0.36 0.00 -0.57 0.00 0.00 179.45 179.51 2ka6 h ARG 38 N 0.59 1.14 0.34 3.15 3.08 -1.47 -1.24 114.38 119.96 2ka6 h ARG 38 Ca 0.16 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 2ka6 h ARG 38 Cb 0.00 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.85 2ka6 h ARG 38 CO -0.03 0.89 -0.16 0.28 -1.07 0.00 0.00 179.97 179.88 2ka6 h VAL 39 N 1.11 0.68 -0.55 2.04 2.07 -0.94 -0.71 116.25 119.96 2ka6 h VAL 39 Ca 0.27 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.57 2ka6 h VAL 39 Cb 0.14 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 2ka6 h VAL 39 CO -0.03 0.04 0.23 1.62 0.02 0.00 0.00 177.57 179.44 2ka6 h VAL 40 N -0.55 1.22 -0.75 2.57 3.04 -1.17 -2.35 116.25 118.25 2ka6 h VAL 40 Ca -0.05 -0.67 0.07 0.00 -1.01 0.00 0.00 66.70 65.05 2ka6 h VAL 40 Cb 0.41 0.64 -0.06 0.00 -2.01 0.00 0.00 31.29 30.27 2ka6 h VAL 40 CO 0.08 0.26 0.42 1.56 -1.01 0.00 0.00 177.57 178.88 2ka6 h GLN 41 N 0.74 0.73 0.70 4.17 1.08 -1.19 0.16 115.11 121.51 2ka6 h GLN 41 Ca 0.18 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.30 2ka6 h GLN 41 Cb 0.19 -0.17 0.01 0.00 -0.05 0.00 0.00 27.48 27.46 2ka6 h GLN 41 CO -0.02 0.49 -0.34 1.25 -0.95 0.00 0.00 178.83 179.26 2ka6 h HIS 42 N 0.76 -0.88 -0.49 2.96 2.76 -0.85 -3.16 115.15 116.25 2ka6 h HIS 42 Ca 0.34 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.49 2ka6 h HIS 42 Cb 0.25 0.29 -0.02 0.00 1.55 0.00 0.00 27.41 29.47 2ka6 h HIS 42 CO -0.07 -0.54 0.31 1.15 -1.30 0.00 0.00 177.93 177.47 2ka6 h THR 43 N -0.95 1.13 0.00 6.26 2.02 -1.17 -1.16 112.91 119.04 2ka6 h THR 43 Ca -0.10 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.82 2ka6 h THR 43 Cb 0.73 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 2ka6 h THR 43 CO 0.16 0.13 0.02 0.29 0.37 0.00 0.00 175.52 176.50 2ka6 n LYS 44 N -4.45 0.01 -0.60 6.66 5.02 0.02 -2.86 118.16 121.96 2ka6 n LYS 44 Ca 0.04 0.49 -0.00 0.00 -2.02 0.00 0.00 58.31 56.82 2ka6 n LYS 44 Cb 0.06 -1.56 -0.00 0.00 -0.02 0.00 0.00 35.03 33.51 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 -1.46 0.72 3.70 0.72 0.00 -0.65 -5.08 105.19 103.14 2ka6 n GLY 45 Ca -0.00 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.85 0.74 0.03 0.00 4.76 -1.26 -4.82 118.16 113.75 2ka6 n LYS 47 Ca 0.12 -0.91 -0.00 0.00 -2.87 0.00 0.00 58.31 54.65 2ka6 n LYS 47 Cb 0.52 -0.98 -0.00 0.00 -1.84 0.00 0.00 35.03 32.73 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 -0.21 0.00 -0.03 1.97 1.74 -1.26 -5.05 116.66 113.82 2ka6 n ARG 48 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 2ka6 n ARG 48 Cb 0.12 -0.51 -0.00 0.00 -1.02 0.00 0.00 32.46 31.06 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 -3.34 -0.06 0.25 5.56 2.85 -1.26 -2.23 118.16 119.93 2ka6 n LYS 49 Ca -0.00 0.04 0.11 0.00 -1.05 0.00 0.00 58.31 57.40 2ka6 n LYS 49 Cb 0.17 -0.07 0.68 0.00 -0.65 0.00 0.00 35.03 35.16 2ka6 n LYS 49 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 2ka6 h THR 50 N -0.03 0.72 0.00 0.58 1.35 -1.92 0.26 112.91 113.88 2ka6 h THR 50 Ca 0.00 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 2ka6 h THR 50 Cb 0.03 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 2ka6 h THR 50 CO 0.00 0.13 0.00 -1.13 -0.25 0.00 0.00 175.52 174.27 2ka6 h ASN 51 N 0.00 0.00 0.00 5.36 -0.73 -1.97 -3.35 115.58 114.88 2ka6 h ASN 51 Ca -0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2ka6 h ASN 51 Cb 0.31 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.90 2ka6 h ASN 51 CO 0.02 0.00 -0.98 0.61 -0.37 0.00 0.00 177.43 176.71 2ka6 n GLY 52 N -0.02 0.00 0.00 1.57 0.00 -0.95 -5.08 105.19 100.71 2ka6 n GLY 52 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 3.29 -0.64 3.70 -0.02 0.00 -0.06 -5.01 105.19 106.45 2ka6 n GLY 53 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 7.46 0.00 0.19 0.00 0.13 -1.99 -3.13 132.00 134.66 2ka6 h PRO 55 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 2ka6 h PRO 55 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2ka6 h PRO 55 CO 0.94 0.70 -0.09 0.28 -0.23 0.00 0.00 178.00 179.60 2ka6 h VAL 56 N 0.00 0.77 -0.10 1.56 2.07 -1.98 -2.83 116.25 115.73 2ka6 h VAL 56 Ca -0.01 -1.05 0.04 0.00 0.82 0.00 0.00 66.70 66.51 2ka6 h VAL 56 Cb 1.33 1.28 -0.05 0.00 -1.52 0.00 0.00 31.29 32.32 2ka6 h VAL 56 CO 0.09 0.19 -0.24 0.00 0.02 0.00 0.00 177.57 177.63 2ka6 h LYS 58 N -0.33 0.00 0.33 0.00 3.64 -1.65 -0.73 116.57 117.83 2ka6 h LYS 58 Ca 0.09 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 2ka6 h LYS 58 Cb 0.46 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2ka6 h LYS 58 CO -0.29 0.00 -0.16 0.37 -2.27 0.00 0.00 179.45 177.10 2ka6 h GLN 59 N 0.00 -0.43 -0.15 1.90 5.75 -0.97 -1.44 115.11 119.78 2ka6 h GLN 59 Ca 0.22 0.03 -0.08 0.00 -0.15 0.00 0.00 58.65 58.66 2ka6 h GLN 59 Cb 0.93 0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.56 2ka6 h GLN 59 CO -0.00 -0.10 -0.29 1.37 -2.65 0.00 0.00 178.83 177.17 2ka6 h LEU 60 N -0.88 0.28 -0.85 -2.39 -0.00 -1.35 -2.85 115.31 107.28 2ka6 h LEU 60 Ca -0.05 -0.09 -0.05 0.00 -0.00 0.00 0.00 57.88 57.70 2ka6 h LEU 60 Cb 0.53 -0.08 -0.03 0.00 -0.00 0.00 0.00 40.66 41.08 2ka6 h LEU 60 CO 0.07 0.56 0.29 0.40 -0.00 0.00 0.00 178.44 179.77 2ka6 h ILE 61 N 0.25 1.26 0.11 0.15 1.08 -1.13 0.28 117.51 119.51 2ka6 h ILE 61 Ca 0.04 -0.82 0.00 0.00 -0.39 0.00 0.00 64.86 63.69 2ka6 h ILE 61 Cb 0.64 0.36 -0.01 0.00 -3.07 0.00 0.00 36.82 34.74 2ka6 h ILE 61 CO 0.05 0.33 -0.11 0.00 -0.69 0.00 0.00 178.15 177.73 2ka6 h ALA 62 N 1.20 -0.22 -0.47 1.87 0.00 -1.13 -0.19 119.26 120.32 2ka6 h ALA 62 Ca 0.25 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.19 2ka6 h ALA 62 Cb 0.23 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 2ka6 h ALA 62 CO -0.02 -0.64 0.17 1.25 0.00 0.00 0.00 179.25 180.01 2ka6 h LEU 63 N -0.25 0.17 -0.45 0.00 6.46 -1.20 -1.15 115.31 118.90 2ka6 h LEU 63 Ca 0.00 0.06 -0.15 0.00 -0.12 0.00 0.00 57.88 57.67 2ka6 h LEU 63 Cb 0.24 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.20 2ka6 h LEU 63 CO -0.03 0.13 -0.31 0.00 -0.62 0.00 0.00 178.44 177.61 2ka6 h TYR 66 N 0.82 0.87 0.15 0.00 3.20 -1.18 -0.89 116.97 119.94 2ka6 h TYR 66 Ca 0.21 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.10 2ka6 h TYR 66 Cb 0.07 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.08 2ka6 h TYR 66 CO -0.01 0.35 -0.07 1.25 -1.64 0.00 0.00 178.16 178.04 2ka6 h HIS 67 N 0.80 -0.19 -0.59 -3.82 2.76 -1.32 -3.36 115.15 109.42 2ka6 h HIS 67 Ca 0.41 -0.00 0.12 0.00 -2.20 0.00 0.00 60.37 58.69 2ka6 h HIS 67 Cb 0.38 0.06 -0.03 0.00 1.55 0.00 0.00 27.41 29.37 2ka6 h HIS 67 CO -0.06 0.23 0.40 0.00 -1.30 0.00 0.00 177.93 177.20 2ka6 h ALA 68 N -0.39 2.16 -0.66 5.26 0.00 -0.48 -0.65 119.26 124.50 2ka6 h ALA 68 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2ka6 h ALA 68 Cb 0.51 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 2ka6 h ALA 68 CO 0.03 -0.31 0.42 0.87 0.00 0.00 0.00 179.25 180.27 2ka6 h LYS 69 N 0.29 0.88 0.00 0.00 1.57 -1.31 -3.07 116.57 114.94 2ka6 h LYS 69 Ca 0.28 -0.06 -0.29 0.00 -1.87 0.00 0.00 60.65 58.71 2ka6 h LYS 69 Cb 0.71 -0.19 -0.05 0.00 0.08 0.00 0.00 32.23 32.77 2ka6 h LYS 69 CO -0.06 0.60 -1.70 0.72 -0.57 0.00 0.00 179.45 178.44 2ka6 n HIS 70 N -4.42 1.02 -1.56 -1.35 8.25 -0.56 -4.97 115.22 111.63 2ka6 n HIS 70 Ca 0.07 0.37 -0.34 0.00 -0.26 0.00 0.00 57.72 57.56 2ka6 n HIS 70 Cb 0.05 -1.19 0.08 0.00 1.12 0.00 0.00 29.99 30.05 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 -2.58 0.05 -2.52 0.00 6.02 -1.26 -4.95 117.38 112.14 2ka6 n GLN 72 Ca 0.12 -0.01 -0.33 0.00 -0.01 0.00 0.00 57.00 56.78 2ka6 n GLN 72 Cb 0.51 -0.29 -0.04 0.00 1.02 0.00 0.00 30.24 31.43 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 3.95 0.00 -1.09 2.56 -1.26 -5.00 118.70 117.85 2ka6 s GLU 73 Ca 0.00 1.09 0.17 0.00 0.00 0.00 0.00 54.97 56.23 2ka6 s GLU 73 Cb 0.00 -2.13 -0.08 0.00 2.00 0.00 0.00 34.13 33.91 2ka6 s GLU 73 CO 0.00 -0.27 0.82 0.09 -0.56 0.00 0.00 175.26 175.34 2ka6 n ASN 74 N -1.24 1.32 -0.05 -1.70 3.02 -1.26 -4.46 115.26 110.89 2ka6 n ASN 74 Ca 0.07 -1.16 0.06 0.00 -0.03 0.00 0.00 54.58 53.52 2ka6 n ASN 74 Cb 0.54 0.70 0.08 0.00 -0.61 0.00 0.00 39.78 40.49 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 -0.66 1.99 -1.63 3.52 5.02 -1.26 -5.02 118.16 120.11 2ka6 n LYS 75 Ca 0.05 -2.14 -0.45 0.00 -2.02 0.00 0.00 58.31 53.75 2ka6 n LYS 75 Cb 0.32 -1.30 -0.02 0.00 -0.02 0.00 0.00 35.03 34.01 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 2.93 0.00 -6.31 0.00 0.13 -1.96 -3.43 132.00 123.35 2ka6 h PRO 77 Ca -0.43 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.15 2ka6 h PRO 77 Cb 1.31 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 2ka6 h PRO 77 CO 0.67 0.22 0.87 0.08 -0.23 0.00 0.00 178.00 179.60 2ka6 s VAL 78 N -4.14 3.85 0.30 1.56 1.01 -1.26 -4.80 120.40 116.91 2ka6 s VAL 78 Ca -0.02 1.16 0.02 0.00 0.00 0.00 0.00 61.98 63.13 2ka6 s VAL 78 Cb 0.13 -3.75 0.13 0.00 0.00 0.00 0.00 36.38 32.89 2ka6 s VAL 78 CO 0.64 -0.04 1.81 1.55 0.00 0.00 0.00 175.10 179.07 2ka6 h PRO 79 N 8.12 0.63 0.00 2.72 0.13 -1.96 -3.10 132.00 138.54 2ka6 h PRO 79 Ca -0.36 -0.16 -0.18 0.00 -0.87 0.00 0.00 66.00 64.43 2ka6 h PRO 79 Cb 1.16 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 2ka6 h PRO 79 CO 0.92 0.67 -0.85 0.74 -0.23 0.00 0.00 178.00 179.25 2ka6 h PHE 80 N 0.59 0.01 -0.37 1.56 0.04 -1.96 -3.33 116.94 113.48 2ka6 h PHE 80 Ca 0.12 -0.01 0.08 0.00 2.80 0.00 0.00 57.97 60.96 2ka6 h PHE 80 Cb 0.42 -0.00 -0.08 0.00 2.20 0.00 0.00 35.95 38.48 2ka6 h PHE 80 CO 0.02 0.85 -0.20 0.00 -0.60 0.00 0.00 178.31 178.39 2ka6 h LEU 82 N -0.14 -0.18 -1.17 0.00 -0.00 -1.71 -0.61 115.31 111.50 2ka6 h LEU 82 Ca 0.18 -0.07 0.11 0.00 -0.00 0.00 0.00 57.88 58.11 2ka6 h LEU 82 Cb 0.42 0.05 -0.07 0.00 -0.00 0.00 0.00 40.66 41.06 2ka6 h LEU 82 CO -0.46 -0.05 0.59 0.78 -0.00 0.00 0.00 178.44 179.30 2ka6 h ASN 83 N -0.31 0.81 0.22 -0.43 2.35 -1.56 -2.27 115.58 114.38 2ka6 h ASN 83 Ca -0.02 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 2ka6 h ASN 83 Cb 0.24 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.48 2ka6 h ASN 83 CO 0.04 0.45 -0.11 0.40 -1.65 0.00 0.00 177.43 176.56 2ka6 h ILE 84 N 0.88 0.40 -0.94 2.81 2.04 -0.53 -3.17 117.51 119.00 2ka6 h ILE 84 Ca 0.44 -0.95 0.10 0.00 1.00 0.00 0.00 64.86 65.46 2ka6 h ILE 84 Cb 0.48 0.68 -0.07 0.00 -0.74 0.00 0.00 36.82 37.18 2ka6 h ILE 84 CO -0.20 0.11 0.60 0.07 0.00 0.00 0.00 178.15 178.73 2ka6 h LYS 85 N -1.01 0.91 0.00 2.37 2.10 -0.99 0.20 116.57 120.15 2ka6 h LYS 85 Ca -0.03 -0.05 -0.06 0.00 -2.00 0.00 0.00 60.65 58.50 2ka6 h LYS 85 Cb 0.41 -0.20 -0.01 0.00 -0.90 0.00 0.00 32.23 31.53 2ka6 h LYS 85 CO 0.05 0.60 -0.29 0.45 -2.00 0.00 0.00 179.45 178.26 2ka6 h HIS 86 N 0.93 0.00 0.03 0.07 3.86 -1.56 -2.07 115.15 116.42 2ka6 h HIS 86 Ca 0.44 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 59.35 2ka6 h HIS 86 Cb 0.44 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.86 2ka6 h HIS 86 CO -0.00 0.29 -1.75 -0.22 0.86 0.00 0.00 177.93 177.11 2ka6 h LYS 87 N 0.00 0.07 -0.32 2.45 3.64 -1.08 -3.37 116.57 117.96 2ka6 h LYS 87 Ca -0.00 -0.11 -0.11 0.00 -1.27 0.00 0.00 60.65 59.16 2ka6 h LYS 87 Cb 0.59 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 2ka6 h LYS 87 CO 0.04 0.68 -0.22 -0.07 -2.27 0.00 0.00 179.45 177.61 2ka6 h LEU 88 N 0.02 0.74 -1.62 5.20 3.38 -0.62 -3.47 115.31 118.93 2ka6 h LEU 88 Ca -0.31 -0.44 -0.23 0.00 0.09 0.00 0.00 57.88 57.00 2ka6 h LEU 88 Cb 2.01 -0.21 -0.11 0.00 0.09 0.00 0.00 40.66 42.45 2ka6 h LEU 88 CO 0.09 1.02 -0.35 -2.11 0.09 0.00 0.00 178.44 177.17 2ka6 n ARG 89 N -4.30 -0.94 -2.09 1.13 -4.01 -0.78 -0.43 116.66 105.23 2ka6 n ARG 89 Ca -0.03 0.04 -0.16 0.00 -1.04 0.00 0.00 57.85 56.66 2ka6 n ARG 89 Cb 0.43 -1.51 -0.03 0.00 -3.04 0.00 0.00 32.46 28.31 2ka6 n ARG 89 CO 0.00 0.00 0.00 1.04 -3.04 0.00 0.00 177.63 175.63 2ka6 n GLN 90 N -2.11 -1.76 -0.23 2.89 6.02 -1.26 -4.92 117.38 116.02 2ka6 n GLN 90 Ca -0.05 0.86 -0.06 0.00 -0.01 0.00 0.00 57.00 57.74 2ka6 n GLN 90 Cb 0.22 -5.38 0.09 0.00 1.02 0.00 0.00 30.24 26.19 2ka6 n GLN 90 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 177.06 175.49 2ka6 h GLN 91 N 0.00 1.07 0.00 -1.09 -0.00 -1.10 -3.56 115.11 110.44 2ka6 h GLN 91 Ca -0.37 -0.24 0.00 0.00 -0.00 0.00 0.00 58.65 58.04 2ka6 h GLN 91 Cb 1.21 -0.15 0.00 0.00 -0.00 0.00 0.00 27.48 28.54 2ka6 h GLN 91 CO 0.47 0.94 0.00 0.94 -0.00 0.00 0.00 178.83 181.18