#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ka6 h PRO 2 N 0.00 -0.45 0.00 1.43 0.13 -2.08 -3.31 132.00 127.73 2ka6 h PRO 2 Ca 0.00 0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.15 2ka6 h PRO 2 Cb 0.00 0.10 -0.00 0.00 0.13 0.00 0.00 31.00 31.23 2ka6 h PRO 2 CO 0.00 -0.30 -1.04 1.04 -0.23 0.00 0.00 178.00 177.47 2ka6 n GLN 3 N -3.97 0.61 -0.22 0.86 1.13 -1.26 -4.24 117.38 110.29 2ka6 n GLN 3 Ca -0.06 0.13 0.13 0.00 -1.94 0.00 0.00 57.00 55.26 2ka6 n GLN 3 Cb 0.18 -1.82 0.44 0.00 0.11 0.00 0.00 30.24 29.15 2ka6 n GLN 3 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 2ka6 h GLU 4 N 0.00 0.55 -0.78 -1.09 3.07 -2.00 -1.68 114.58 112.65 2ka6 h GLU 4 Ca -0.01 -0.03 0.11 0.00 -0.50 0.00 0.00 59.36 58.93 2ka6 h GLU 4 Cb 1.04 -0.12 -0.08 0.00 -0.84 0.00 0.00 28.75 28.74 2ka6 h GLU 4 CO 0.00 0.36 0.40 0.66 -1.40 0.00 0.00 179.01 179.03 2ka6 h SER 5 N 0.56 0.51 0.09 1.42 4.64 -1.74 0.28 113.55 119.32 2ka6 h SER 5 Ca 0.41 0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.79 2ka6 h SER 5 Cb 0.77 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 2ka6 h SER 5 CO -0.16 0.27 -0.04 0.03 -0.87 0.00 0.00 176.83 176.05 2ka6 h ARG 6 N 0.64 -0.12 -0.37 4.77 3.08 -1.60 -2.28 114.38 118.50 2ka6 h ARG 6 Ca 0.40 0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.52 2ka6 h ARG 6 Cb 0.47 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.48 2ka6 h ARG 6 CO -0.30 0.26 -0.02 0.00 -1.07 0.00 0.00 179.97 178.84 2ka6 h ARG 7 N -0.53 0.07 -0.48 0.04 3.08 -1.04 0.21 114.38 115.74 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 0.44 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 2ka6 h ARG 7 CO 0.02 0.05 -0.16 -0.07 -1.07 0.00 0.00 179.97 178.74 2ka6 h LEU 8 N 0.08 0.93 -0.76 3.04 3.38 -1.05 -2.86 115.31 118.06 2ka6 h LEU 8 Ca 0.18 -0.32 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 2ka6 h LEU 8 Cb 0.25 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2ka6 h LEU 8 CO -0.32 1.07 -0.02 -1.28 0.09 0.00 0.00 178.44 177.98 2ka6 h SER 9 N 0.81 0.90 -0.89 -0.43 0.87 -0.81 -2.84 113.55 111.15 2ka6 h SER 9 Ca 0.12 -0.25 0.03 0.00 -1.23 0.00 0.00 61.79 60.47 2ka6 h SER 9 Cb 0.70 -0.24 -0.05 0.00 -0.44 0.00 0.00 62.40 62.37 2ka6 h SER 9 CO 0.05 0.97 0.58 0.40 -0.53 0.00 0.00 176.83 178.30 2ka6 h ILE 10 N 0.84 1.15 -0.83 2.23 2.04 -0.85 -1.68 117.51 120.41 2ka6 h ILE 10 Ca 0.15 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.63 2ka6 h ILE 10 Cb 0.53 -0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 36.50 2ka6 h ILE 10 CO 0.03 0.20 0.52 1.56 0.00 0.00 0.00 178.15 180.47 2ka6 h GLN 11 N 1.12 1.11 -0.72 2.37 1.08 -1.28 -0.21 115.11 118.58 2ka6 h GLN 11 Ca 0.36 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.47 2ka6 h GLN 11 Cb 0.00 -0.24 -0.03 0.00 -0.05 0.00 0.00 27.48 27.16 2ka6 h GLN 11 CO -0.12 0.76 0.43 0.00 -0.95 0.00 0.00 178.83 178.95 2ka6 h ARG 12 N 1.13 0.98 -0.57 1.46 3.08 -1.16 -1.06 114.38 118.24 2ka6 h ARG 12 Ca 0.30 -0.09 -0.08 0.00 0.07 0.00 0.00 59.98 60.18 2ka6 h ARG 12 Cb -0.09 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.74 2ka6 h ARG 12 CO -0.06 0.70 0.06 0.00 -1.07 0.00 0.00 179.97 179.60 2ka6 h ILE 14 N 0.85 1.03 -0.97 0.00 2.04 -0.72 -0.40 117.51 119.33 2ka6 h ILE 14 Ca 0.17 -0.08 0.03 0.00 1.00 0.00 0.00 64.86 65.98 2ka6 h ILE 14 Cb 0.47 1.05 -0.06 0.00 -0.74 0.00 0.00 36.82 37.54 2ka6 h ILE 14 CO 0.02 0.02 0.64 1.56 0.00 0.00 0.00 178.15 180.39 2ka6 h GLN 15 N -0.01 1.20 -0.42 2.37 4.20 -1.11 -0.14 115.11 121.20 2ka6 h GLN 15 Ca 0.01 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 2ka6 h GLN 15 Cb 0.03 -0.27 -0.02 0.00 0.30 0.00 0.00 27.48 27.52 2ka6 h GLN 15 CO -0.00 0.80 0.14 0.77 -0.67 0.00 0.00 178.83 179.87 2ka6 h SER 16 N 1.24 0.61 -0.38 1.46 0.02 -0.85 -0.41 113.55 115.24 2ka6 h SER 16 Ca 0.39 -0.20 -0.10 0.00 -0.84 0.00 0.00 61.79 61.04 2ka6 h SER 16 Cb -0.01 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 2ka6 h SER 16 CO -0.12 0.64 -0.15 0.25 -1.14 0.00 0.00 176.83 176.32 2ka6 h LEU 17 N 0.54 0.78 -0.58 5.07 5.85 -0.75 -1.20 115.31 125.03 2ka6 h LEU 17 Ca 0.14 -0.39 0.03 0.00 0.84 0.00 0.00 57.88 58.50 2ka6 h LEU 17 Cb 0.25 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 2ka6 h LEU 17 CO -0.01 1.00 0.35 0.58 -0.34 0.00 0.00 178.44 180.02 2ka6 h VAL 18 N 0.56 1.05 0.34 1.05 2.07 -0.95 -0.29 116.25 120.09 2ka6 h VAL 18 Ca 0.09 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 2ka6 h VAL 18 Cb 0.68 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 2ka6 h VAL 18 CO 0.05 0.12 -0.16 -0.74 0.02 0.00 0.00 177.57 176.86 2ka6 h HIS 19 N 0.68 -0.42 -0.52 1.57 -0.00 -0.97 -2.98 115.15 112.50 2ka6 h HIS 19 Ca 0.24 -0.01 0.08 0.00 -0.00 0.00 0.00 60.37 60.68 2ka6 h HIS 19 Cb 0.04 0.14 -0.03 0.00 -0.00 0.00 0.00 27.41 27.56 2ka6 h HIS 19 CO -0.06 -0.26 0.35 0.00 -0.00 0.00 0.00 177.93 177.96 2ka6 h ALA 20 N 0.20 2.00 0.00 5.26 0.00 -0.86 0.72 119.26 126.58 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 0.36 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2ka6 h ALA 20 CO 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.22 2ka6 n GLN 22 N -2.07 1.22 -1.30 0.00 6.02 -0.29 -4.89 117.38 116.07 2ka6 n GLN 22 Ca 0.02 -0.03 -0.30 0.00 -0.01 0.00 0.00 57.00 56.68 2ka6 n GLN 22 Cb 0.18 -1.10 0.11 0.00 1.02 0.00 0.00 30.24 30.44 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 -3.64 3.01 -1.82 0.00 3.00 -1.26 -4.97 116.66 110.99 2ka6 n ARG 24 Ca 0.08 0.00 -0.42 0.00 -0.01 0.00 0.00 57.85 57.50 2ka6 n ARG 24 Cb 0.54 -0.36 -0.03 0.00 0.00 0.00 0.00 32.46 32.61 2ka6 n ARG 24 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 2ka6 s ASN 25 N -0.39 6.53 0.52 0.55 0.01 -1.26 -4.90 114.94 115.98 2ka6 s ASN 25 Ca 0.00 2.56 0.27 0.00 -0.71 0.00 0.00 52.86 54.97 2ka6 s ASN 25 Cb 0.00 -2.55 1.41 0.00 0.41 0.00 0.00 41.25 40.52 2ka6 s ASN 25 CO 0.00 -0.97 2.06 0.00 -1.51 0.00 0.00 177.10 176.67 2ka6 h ALA 26 N 9.35 1.29 -1.30 0.60 0.00 -2.01 -3.27 119.26 123.92 2ka6 h ALA 26 Ca -0.45 -0.11 -0.40 0.00 0.00 0.00 0.00 54.91 53.95 2ka6 h ALA 26 Cb 1.21 -0.02 -0.39 0.00 0.00 0.00 0.00 17.79 18.59 2ka6 h ALA 26 CO 0.94 0.16 -1.16 0.09 0.00 0.00 0.00 179.25 179.27 2ka6 n ASN 27 N -3.66 1.08 -4.48 0.00 3.02 -1.26 -4.96 115.26 104.99 2ka6 n ASN 27 Ca -0.02 -2.82 -0.37 0.00 -0.03 0.00 0.00 54.58 51.34 2ka6 n ASN 27 Cb 0.25 -0.48 0.05 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 0.09 0.00 -3.33 0.00 4.64 -2.01 -3.42 113.55 109.52 2ka6 h SER 29 Ca -0.46 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.30 2ka6 h SER 29 Cb 1.38 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.43 2ka6 h SER 29 CO 0.46 0.00 0.38 -0.76 -0.87 0.00 0.00 176.83 176.04 2ka6 s LEU 30 N -5.40 4.27 0.40 5.97 1.43 -1.26 -4.96 118.68 119.12 2ka6 s LEU 30 Ca -0.01 1.41 0.12 0.00 -1.03 0.00 0.00 54.13 54.62 2ka6 s LEU 30 Cb 0.10 -3.39 0.81 0.00 0.03 0.00 0.00 46.19 43.74 2ka6 s LEU 30 CO 0.39 -0.33 1.90 1.55 0.23 0.00 0.00 176.35 180.10 2ka6 h PRO 31 N 7.02 0.11 -0.06 1.29 0.13 -2.01 -3.04 132.00 135.44 2ka6 h PRO 31 Ca -0.35 -0.03 -0.10 0.00 -0.87 0.00 0.00 66.00 64.65 2ka6 h PRO 31 Cb 1.17 -0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.29 2ka6 h PRO 31 CO 0.80 0.33 -0.36 0.66 -0.23 0.00 0.00 178.00 179.21 2ka6 h SER 32 N 0.10 0.42 -0.64 1.44 4.64 -1.95 -3.31 113.55 114.26 2ka6 h SER 32 Ca 0.02 -0.66 0.13 0.00 -0.47 0.00 0.00 61.79 60.81 2ka6 h SER 32 Cb 0.45 -0.13 -0.10 0.00 -0.31 0.00 0.00 62.40 62.32 2ka6 h SER 32 CO 0.03 1.02 0.11 0.00 -0.87 0.00 0.00 176.83 177.12 2ka6 h GLN 34 N 0.22 0.07 0.06 0.00 4.20 -1.63 -2.36 115.11 115.67 2ka6 h GLN 34 Ca 0.35 -0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.75 2ka6 h GLN 34 Cb 0.55 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.29 2ka6 h GLN 34 CO -0.47 0.05 -1.63 1.17 -0.67 0.00 0.00 178.83 177.28 2ka6 n LYS 35 N -4.42 0.66 -0.32 1.46 4.81 -0.20 -4.20 118.16 115.95 2ka6 n LYS 35 Ca 0.08 0.43 0.09 0.00 -0.87 0.00 0.00 58.31 58.03 2ka6 n LYS 35 Cb 0.49 -1.73 0.29 0.00 0.02 0.00 0.00 35.03 34.10 2ka6 n LYS 35 CO 0.00 0.00 0.00 0.52 1.17 0.00 0.00 177.40 179.09 2ka6 h MET 36 N -0.50 0.86 -0.59 1.64 2.86 -0.49 -1.25 114.93 117.46 2ka6 h MET 36 Ca -0.39 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.19 2ka6 h MET 36 Cb 1.65 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 33.09 2ka6 h MET 36 CO -0.07 0.57 0.32 0.87 1.06 0.00 0.00 176.91 179.65 2ka6 h LYS 37 N 0.88 0.82 -0.60 1.72 1.57 -1.63 -0.80 116.57 118.54 2ka6 h LYS 37 Ca 0.47 -0.10 -0.05 0.00 -1.87 0.00 0.00 60.65 59.10 2ka6 h LYS 37 Cb 0.55 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 2ka6 h LYS 37 CO -0.24 0.63 0.16 0.00 -0.57 0.00 0.00 179.45 179.44 2ka6 h ARG 38 N 0.79 0.95 0.27 3.15 3.08 -1.44 -1.48 114.38 119.70 2ka6 h ARG 38 Ca 0.21 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 2ka6 h ARG 38 Cb 0.05 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 29.97 2ka6 h ARG 38 CO -0.03 0.86 -0.13 0.28 -1.07 0.00 0.00 179.97 179.88 2ka6 h VAL 39 N 0.86 0.76 -0.52 2.04 2.07 -1.07 -0.43 116.25 119.96 2ka6 h VAL 39 Ca 0.19 -0.17 -0.06 0.00 0.82 0.00 0.00 66.70 67.48 2ka6 h VAL 39 Cb 0.32 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 2ka6 h VAL 39 CO -0.00 0.04 0.10 1.62 0.02 0.00 0.00 177.57 179.35 2ka6 h VAL 40 N -0.45 1.25 -0.78 2.57 3.04 -1.13 -2.46 116.25 118.28 2ka6 h VAL 40 Ca -0.04 -0.91 0.07 0.00 -1.01 0.00 0.00 66.70 64.81 2ka6 h VAL 40 Cb 0.34 0.83 -0.06 0.00 -2.01 0.00 0.00 31.29 30.39 2ka6 h VAL 40 CO 0.06 0.33 0.46 1.56 -1.01 0.00 0.00 177.57 178.97 2ka6 h GLN 41 N 0.74 0.80 0.60 4.17 1.08 -1.22 0.01 115.11 121.29 2ka6 h GLN 41 Ca 0.16 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.29 2ka6 h GLN 41 Cb 0.37 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.62 2ka6 h GLN 41 CO 0.01 0.53 -0.39 1.25 -0.95 0.00 0.00 178.83 179.27 2ka6 h HIS 42 N 0.82 -1.04 -0.89 2.96 -0.00 -0.84 -3.11 115.15 113.05 2ka6 h HIS 42 Ca 0.36 -0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.75 2ka6 h HIS 42 Cb 0.23 0.38 -0.05 0.00 -0.00 0.00 0.00 27.41 27.97 2ka6 h HIS 42 CO -0.06 -0.58 0.58 1.15 -0.00 0.00 0.00 177.93 179.02 2ka6 h THR 43 N -0.95 1.16 0.00 6.26 2.02 -1.08 -0.40 112.91 119.92 2ka6 h THR 43 Ca -0.07 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.72 2ka6 h THR 43 Cb 0.77 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 2ka6 h THR 43 CO 0.06 0.20 0.04 0.11 0.37 0.00 0.00 175.52 176.31 2ka6 h LYS 44 N 1.12 0.00 0.00 6.66 1.57 -0.94 -2.93 116.57 122.05 2ka6 h LYS 44 Ca 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 2ka6 h LYS 44 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 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 -1.21 0.28 3.76 3.86 0.00 -0.77 -5.08 105.19 106.03 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 -2.01 1.66 -0.04 0.00 4.76 -1.26 -4.83 118.16 116.44 2ka6 n LYS 47 Ca 0.12 -1.14 -0.04 0.00 -2.87 0.00 0.00 58.31 54.38 2ka6 n LYS 47 Cb 0.51 -0.96 -0.01 0.00 -1.84 0.00 0.00 35.03 32.72 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 -0.32 0.26 -0.31 1.97 1.74 -1.26 -4.97 116.66 113.76 2ka6 n ARG 48 Ca 0.00 0.22 0.04 0.00 -0.77 0.00 0.00 57.85 57.34 2ka6 n ARG 48 Cb 0.19 -1.09 -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 -3.52 -0.63 -0.20 5.56 0.00 -1.26 -2.29 118.16 115.82 2ka6 n LYS 49 Ca -0.06 0.42 -0.01 0.00 -0.00 0.00 0.00 58.31 58.66 2ka6 n LYS 49 Cb 0.22 -0.77 0.10 0.00 -0.00 0.00 0.00 35.03 34.58 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 0.80 0.00 0.58 1.35 -1.93 -0.13 112.91 113.29 2ka6 h THR 50 Ca 0.01 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.72 2ka6 h THR 50 Cb 0.29 0.34 0.00 0.00 -1.73 0.00 0.00 68.15 67.05 2ka6 h THR 50 CO 0.00 0.08 0.00 -0.46 -0.25 0.00 0.00 175.52 174.89 2ka6 n ASN 51 N -4.98 0.00 -0.04 5.36 0.23 -1.26 -3.60 115.26 110.97 2ka6 n ASN 51 Ca 0.08 0.50 -0.05 0.00 -0.53 0.00 0.00 54.58 54.58 2ka6 n ASN 51 Cb 0.25 -0.50 -0.05 0.00 -2.08 0.00 0.00 39.78 37.41 2ka6 n ASN 51 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2ka6 n GLY 52 N -0.11 -0.22 0.00 4.83 0.00 -0.86 -5.06 105.19 103.77 2ka6 n GLY 52 Ca 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 2.85 -0.91 3.68 -0.02 0.00 -0.17 -4.99 105.19 105.64 2ka6 n GLY 53 Ca -0.14 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.44 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 8.44 0.00 0.24 0.00 0.13 -2.00 -3.27 132.00 135.56 2ka6 h PRO 55 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 2ka6 h PRO 55 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2ka6 h PRO 55 CO 0.94 0.54 -0.12 0.28 -0.23 0.00 0.00 178.00 179.41 2ka6 h VAL 56 N 0.00 0.10 -0.49 1.56 2.07 -1.98 -3.09 116.25 114.42 2ka6 h VAL 56 Ca -0.01 -0.81 0.10 0.00 0.82 0.00 0.00 66.70 66.80 2ka6 h VAL 56 Cb 1.42 0.17 -0.10 0.00 -1.52 0.00 0.00 31.29 31.26 2ka6 h VAL 56 CO 0.07 0.03 -0.26 0.00 0.02 0.00 0.00 177.57 177.43 2ka6 h LYS 58 N -0.15 0.42 -0.54 0.00 3.64 -1.70 -1.56 116.57 116.67 2ka6 h LYS 58 Ca 0.22 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.53 2ka6 h LYS 58 Cb 0.50 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 2ka6 h LYS 58 CO -0.57 0.27 0.15 0.37 -2.27 0.00 0.00 179.45 177.40 2ka6 h GLN 59 N 0.43 0.86 -0.21 1.90 5.75 -1.02 -2.76 115.11 120.06 2ka6 h GLN 59 Ca 0.41 -0.19 -0.02 0.00 -0.15 0.00 0.00 58.65 58.70 2ka6 h GLN 59 Cb 0.96 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 29.38 2ka6 h GLN 59 CO -0.14 0.79 0.07 -0.07 -2.65 0.00 0.00 178.83 176.83 2ka6 h LEU 60 N 0.76 0.31 -0.62 -2.39 4.07 -1.16 -3.07 115.31 113.21 2ka6 h LEU 60 Ca 0.17 -0.20 0.10 0.00 0.08 0.00 0.00 57.88 58.03 2ka6 h LEU 60 Cb 0.31 -0.08 -0.07 0.00 1.08 0.00 0.00 40.66 41.89 2ka6 h LEU 60 CO -0.00 0.43 0.24 0.40 -1.08 0.00 0.00 178.44 178.43 2ka6 h ILE 61 N 0.17 0.77 0.31 1.22 1.08 -1.28 0.14 117.51 119.91 2ka6 h ILE 61 Ca 0.07 -0.15 -0.01 0.00 -0.39 0.00 0.00 64.86 64.38 2ka6 h ILE 61 Cb 0.23 0.31 -0.01 0.00 -3.07 0.00 0.00 36.82 34.28 2ka6 h ILE 61 CO -0.00 0.08 -0.19 0.00 -0.69 0.00 0.00 178.15 177.34 2ka6 h ALA 62 N 1.43 -0.48 -0.83 1.87 0.00 -1.50 0.16 119.26 119.92 2ka6 h ALA 62 Ca 0.32 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.24 2ka6 h ALA 62 Cb 0.39 0.24 -0.08 0.00 0.00 0.00 0.00 17.79 18.34 2ka6 h ALA 62 CO -0.31 -0.78 0.46 1.25 0.00 0.00 0.00 179.25 179.87 2ka6 h LEU 63 N -0.49 0.63 -0.21 0.00 6.46 -1.33 -1.88 115.31 118.49 2ka6 h LEU 63 Ca -0.03 0.06 -0.13 0.00 -0.12 0.00 0.00 57.88 57.66 2ka6 h LEU 63 Cb 0.41 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.28 2ka6 h LEU 63 CO 0.03 0.33 -0.38 0.00 -0.62 0.00 0.00 178.44 177.80 2ka6 h TYR 66 N 0.57 0.04 0.00 0.00 5.03 -1.42 -1.61 116.97 119.58 2ka6 h TYR 66 Ca 0.26 0.00 -0.09 0.00 2.58 0.00 0.00 58.73 61.48 2ka6 h TYR 66 Cb 0.17 -0.01 -0.01 0.00 1.55 0.00 0.00 36.73 38.42 2ka6 h TYR 66 CO -0.10 0.02 -0.74 1.25 -1.32 0.00 0.00 178.16 177.28 2ka6 h HIS 67 N 0.04 0.00 -0.94 -3.82 2.76 -1.42 -3.41 115.15 108.35 2ka6 h HIS 67 Ca 0.13 0.00 0.18 0.00 -2.20 0.00 0.00 60.37 58.49 2ka6 h HIS 67 Cb 0.49 0.00 -0.08 0.00 1.55 0.00 0.00 27.41 29.37 2ka6 h HIS 67 CO -0.00 0.61 0.60 0.00 -1.30 0.00 0.00 177.93 177.84 2ka6 h ALA 68 N -0.76 1.93 -0.46 5.26 0.00 -0.47 -1.40 119.26 123.35 2ka6 h ALA 68 Ca -0.13 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.84 2ka6 h ALA 68 Cb 0.80 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 2ka6 h ALA 68 CO -0.08 -0.23 0.27 1.57 0.00 0.00 0.00 179.25 180.78 2ka6 h LYS 69 N 0.61 0.53 0.00 0.00 2.10 -1.53 -2.25 116.57 116.03 2ka6 h LYS 69 Ca 0.50 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 59.12 2ka6 h LYS 69 Cb 0.96 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 32.17 2ka6 h LYS 69 CO -0.25 0.35 0.00 0.45 -2.00 0.00 0.00 179.45 178.00 2ka6 h HIS 70 N 0.54 0.00 -4.31 0.07 3.86 -1.66 -3.47 115.15 110.18 2ka6 h HIS 70 Ca 0.19 0.00 -0.50 0.00 -1.16 0.00 0.00 60.37 58.90 2ka6 h HIS 70 Cb 0.02 0.00 0.05 0.00 1.06 0.00 0.00 27.41 28.54 2ka6 h HIS 70 CO -0.07 0.00 0.41 0.00 0.86 0.00 0.00 177.93 179.13 2ka6 n GLN 72 N -2.39 0.00 -2.59 0.00 6.02 -1.26 -4.97 117.38 112.19 2ka6 n GLN 72 Ca 0.06 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.71 2ka6 n GLN 72 Cb 0.54 -0.13 -0.04 0.00 1.02 0.00 0.00 30.24 31.63 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 0.00 3.89 0.00 -1.09 2.56 -1.26 -4.99 118.70 117.81 2ka6 s GLU 73 Ca 0.00 1.33 0.18 0.00 0.00 0.00 0.00 54.97 56.48 2ka6 s GLU 73 Cb 0.00 -2.13 -0.02 0.00 2.00 0.00 0.00 34.13 33.97 2ka6 s GLU 73 CO 0.00 -0.35 0.89 0.09 -0.56 0.00 0.00 175.26 175.33 2ka6 n ASN 74 N -0.86 1.63 -0.11 -1.70 3.02 -1.26 -4.38 115.26 111.60 2ka6 n ASN 74 Ca 0.09 -1.32 0.07 0.00 -0.03 0.00 0.00 54.58 53.39 2ka6 n ASN 74 Cb 0.53 0.52 0.10 0.00 -0.61 0.00 0.00 39.78 40.31 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 -0.22 1.33 -1.69 3.52 4.01 -1.26 -5.06 118.16 118.79 2ka6 n LYS 75 Ca 0.07 -2.15 -0.43 0.00 -0.51 0.00 0.00 58.31 55.30 2ka6 n LYS 75 Cb 0.36 -1.26 -0.01 0.00 -0.51 0.00 0.00 35.03 33.61 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 2.56 0.00 -6.43 0.00 0.13 -1.93 -3.44 132.00 122.87 2ka6 h PRO 77 Ca -0.46 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.14 2ka6 h PRO 77 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2ka6 h PRO 77 CO 0.63 0.42 0.71 0.08 -0.23 0.00 0.00 178.00 179.61 2ka6 s VAL 78 N -3.81 3.79 0.27 1.56 1.01 -1.26 -4.87 120.40 117.09 2ka6 s VAL 78 Ca -0.01 1.23 0.00 0.00 0.00 0.00 0.00 61.98 63.20 2ka6 s VAL 78 Cb 0.13 -3.79 0.09 0.00 0.00 0.00 0.00 36.38 32.80 2ka6 s VAL 78 CO 0.71 0.05 1.74 1.55 0.00 0.00 0.00 175.10 179.15 2ka6 h PRO 79 N 7.26 0.63 0.00 2.72 0.13 -1.97 -3.14 132.00 137.63 2ka6 h PRO 79 Ca -0.39 -0.20 -0.18 0.00 -0.87 0.00 0.00 66.00 64.35 2ka6 h PRO 79 Cb 1.19 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 32.24 2ka6 h PRO 79 CO 0.87 0.75 -0.87 0.74 -0.23 0.00 0.00 178.00 179.25 2ka6 h PHE 80 N 0.57 0.00 -0.38 1.56 0.04 -1.97 -3.35 116.94 113.41 2ka6 h PHE 80 Ca 0.10 0.00 0.08 0.00 2.80 0.00 0.00 57.97 60.95 2ka6 h PHE 80 Cb 0.57 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 38.64 2ka6 h PHE 80 CO 0.02 0.87 -0.16 0.00 -0.60 0.00 0.00 178.31 178.44 2ka6 h LEU 82 N -0.09 -0.52 -0.55 0.00 -0.00 -1.71 0.07 115.31 112.51 2ka6 h LEU 82 Ca 0.19 0.04 0.05 0.00 -0.00 0.00 0.00 57.88 58.16 2ka6 h LEU 82 Cb 0.38 0.17 -0.05 0.00 -0.00 0.00 0.00 40.66 41.16 2ka6 h LEU 82 CO -0.44 -0.31 0.28 0.78 -0.00 0.00 0.00 178.44 178.74 2ka6 h ASN 83 N -0.47 0.39 0.13 -0.43 2.35 -1.58 -0.82 115.58 115.14 2ka6 h ASN 83 Ca -0.02 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 2ka6 h ASN 83 Cb 0.42 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.75 2ka6 h ASN 83 CO -0.00 0.26 -0.06 0.40 -1.65 0.00 0.00 177.43 176.37 2ka6 h ILE 84 N 0.53 1.04 -0.68 2.81 2.04 -0.76 -2.34 117.51 120.15 2ka6 h ILE 84 Ca 0.25 -0.93 0.04 0.00 1.00 0.00 0.00 64.86 65.21 2ka6 h ILE 84 Cb 0.17 1.59 -0.05 0.00 -0.74 0.00 0.00 36.82 37.80 2ka6 h ILE 84 CO -0.18 0.21 0.41 0.07 0.00 0.00 0.00 178.15 178.66 2ka6 h LYS 85 N -0.64 0.76 -0.67 2.37 2.10 -0.89 -0.28 116.57 119.32 2ka6 h LYS 85 Ca -0.02 -0.05 -0.00 0.00 -2.00 0.00 0.00 60.65 58.58 2ka6 h LYS 85 Cb 0.49 -0.17 -0.03 0.00 -0.90 0.00 0.00 32.23 31.61 2ka6 h LYS 85 CO 0.03 0.51 0.41 0.45 -2.00 0.00 0.00 179.45 178.84 2ka6 h HIS 86 N 0.79 0.89 -0.51 0.07 3.86 -1.21 0.36 115.15 119.39 2ka6 h HIS 86 Ca 0.28 -0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.42 2ka6 h HIS 86 Cb 0.07 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.23 2ka6 h HIS 86 CO -0.05 0.60 0.06 -0.22 0.86 0.00 0.00 177.93 179.17 2ka6 h LYS 87 N 0.92 0.86 0.06 2.45 3.64 -0.82 -2.77 116.57 120.90 2ka6 h LYS 87 Ca 0.24 -0.25 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2ka6 h LYS 87 Cb -0.03 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 2ka6 h LYS 87 CO -0.05 0.87 -0.03 -0.07 -2.27 0.00 0.00 179.45 177.90 2ka6 h LEU 88 N 0.74 -0.07 -1.29 5.20 4.07 -0.90 -3.27 115.31 119.78 2ka6 h LEU 88 Ca 0.15 -0.45 0.11 0.00 0.08 0.00 0.00 57.88 57.77 2ka6 h LEU 88 Cb 0.44 0.02 -0.06 0.00 1.08 0.00 0.00 40.66 42.14 2ka6 h LEU 88 CO 0.02 0.44 0.55 0.03 -1.08 0.00 0.00 178.44 178.39 2ka6 h ARG 89 N -0.60 0.74 0.00 1.13 2.47 -0.98 -0.31 114.38 116.83 2ka6 h ARG 89 Ca -0.01 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 2ka6 h ARG 89 Cb 0.52 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.67 2ka6 h ARG 89 CO 0.01 0.49 0.00 1.04 0.56 0.00 0.00 179.97 182.07 2ka6 n GLN 90 N -4.53 0.02 -0.02 0.04 6.02 -1.05 -3.61 117.38 114.26 2ka6 n GLN 90 Ca 0.15 0.15 0.01 0.00 -0.01 0.00 0.00 57.00 57.29 2ka6 n GLN 90 Cb 0.36 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 30.07 2ka6 n GLN 90 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2ka6 n GLN 91 N -1.49 1.34 0.00 -1.09 1.13 -0.37 -5.11 117.38 111.80 2ka6 n GLN 91 Ca 0.05 -0.04 0.03 0.00 -1.94 0.00 0.00 57.00 55.10 2ka6 n GLN 91 Cb 0.23 -1.17 0.19 0.00 0.11 0.00 0.00 30.24 29.61 2ka6 n GLN 91 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66