#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 -0.61 0.00 1.43 0.13 -2.08 -3.31 132.00 127.56 2ka6 h PRO 2 Ca 0.00 0.04 -0.20 0.00 -0.87 0.00 0.00 66.00 64.97 2ka6 h PRO 2 Cb 0.00 0.14 -0.04 0.00 0.13 0.00 0.00 31.00 31.23 2ka6 h PRO 2 CO 0.00 -0.40 -1.50 1.04 -0.23 0.00 0.00 178.00 176.91 2ka6 n GLN 3 N -4.50 0.62 -0.30 0.86 1.13 -1.26 -4.37 117.38 109.57 2ka6 n GLN 3 Ca -0.08 0.25 0.18 0.00 -1.94 0.00 0.00 57.00 55.41 2ka6 n GLN 3 Cb 0.25 -1.81 0.45 0.00 0.11 0.00 0.00 30.24 29.24 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 0.52 -0.64 -1.09 3.07 -1.99 -1.85 114.58 112.59 2ka6 h GLU 4 Ca -0.20 -0.03 0.09 0.00 -0.50 0.00 0.00 59.36 58.72 2ka6 h GLU 4 Cb 1.71 -0.12 -0.07 0.00 -0.84 0.00 0.00 28.75 29.44 2ka6 h GLU 4 CO 0.06 0.34 0.29 1.03 -1.40 0.00 0.00 179.01 179.32 2ka6 h SER 5 N 0.53 0.35 -0.03 1.42 0.87 -1.76 0.71 113.55 115.63 2ka6 h SER 5 Ca 0.53 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 61.14 2ka6 h SER 5 Cb 1.13 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 63.10 2ka6 h SER 5 CO -0.26 0.21 -0.01 0.03 -0.53 0.00 0.00 176.83 176.26 2ka6 h ARG 6 N 0.51 0.06 -0.36 2.24 3.08 -1.65 -2.28 114.38 115.98 2ka6 h ARG 6 Ca 0.32 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.40 2ka6 h ARG 6 Cb 0.34 -0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.33 2ka6 h ARG 6 CO -0.27 0.44 0.01 0.00 -1.07 0.00 0.00 179.97 179.08 2ka6 h ARG 7 N -0.33 0.11 -0.51 0.04 3.08 -1.11 -0.42 114.38 115.24 2ka6 h ARG 7 Ca 0.01 -0.01 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 2ka6 h ARG 7 Cb 0.43 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 2ka6 h ARG 7 CO 0.00 0.07 -0.18 -0.07 -1.07 0.00 0.00 179.97 178.73 2ka6 h LEU 8 N 0.11 1.03 -0.81 3.04 3.38 -0.95 -2.04 115.31 119.07 2ka6 h LEU 8 Ca 0.17 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 2ka6 h LEU 8 Cb 0.24 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 2ka6 h LEU 8 CO -0.28 1.18 0.36 0.28 0.09 0.00 0.00 178.44 180.07 2ka6 h SER 9 N 0.89 1.08 -0.62 -0.43 0.02 -0.93 -1.42 113.55 112.13 2ka6 h SER 9 Ca 0.12 -0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2ka6 h SER 9 Cb 0.75 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.98 2ka6 h SER 9 CO 0.06 0.93 0.37 0.40 -1.14 0.00 0.00 176.83 177.45 2ka6 h ILE 10 N 1.16 1.18 -0.84 3.27 2.04 -0.93 -1.61 117.51 121.77 2ka6 h ILE 10 Ca 0.27 -0.41 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 2ka6 h ILE 10 Cb 0.16 0.33 -0.04 0.00 -0.74 0.00 0.00 36.82 36.53 2ka6 h ILE 10 CO -0.03 0.19 0.52 1.56 0.00 0.00 0.00 178.15 180.40 2ka6 h GLN 11 N 0.84 1.13 -0.74 2.37 1.08 -0.89 -0.05 115.11 118.86 2ka6 h GLN 11 Ca 0.22 -0.09 -0.04 0.00 -1.45 0.00 0.00 58.65 57.29 2ka6 h GLN 11 Cb -0.02 -0.24 -0.03 0.00 -0.05 0.00 0.00 27.48 27.14 2ka6 h GLN 11 CO -0.04 0.78 0.29 0.00 -0.95 0.00 0.00 178.83 178.90 2ka6 h ARG 12 N 1.15 1.09 -0.61 1.46 2.47 -0.74 -1.16 114.38 118.06 2ka6 h ARG 12 Ca 0.30 -0.19 -0.07 0.00 -1.26 0.00 0.00 59.98 58.76 2ka6 h ARG 12 Cb -0.08 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.04 2ka6 h ARG 12 CO -0.06 0.89 0.10 0.00 0.56 0.00 0.00 179.97 181.46 2ka6 h ILE 14 N 0.91 1.03 -0.96 0.00 2.04 -0.66 -0.39 117.51 119.49 2ka6 h ILE 14 Ca 0.18 -0.07 0.01 0.00 1.00 0.00 0.00 64.86 65.98 2ka6 h ILE 14 Cb 0.43 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 37.27 2ka6 h ILE 14 CO 0.01 0.04 0.62 1.56 0.00 0.00 0.00 178.15 180.38 2ka6 h GLN 15 N 0.21 1.27 -0.54 2.37 1.08 -1.09 -0.14 115.11 118.27 2ka6 h GLN 15 Ca 0.06 -0.09 -0.03 0.00 -1.45 0.00 0.00 58.65 57.14 2ka6 h GLN 15 Cb -0.02 -0.28 -0.02 0.00 -0.05 0.00 0.00 27.48 27.11 2ka6 h GLN 15 CO -0.02 0.85 0.22 0.77 -0.95 0.00 0.00 178.83 179.70 2ka6 h SER 16 N 1.31 0.74 -0.32 1.46 0.02 -0.78 -0.31 113.55 115.67 2ka6 h SER 16 Ca 0.35 -0.17 -0.07 0.00 -0.84 0.00 0.00 61.79 61.06 2ka6 h SER 16 Cb -0.13 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.21 2ka6 h SER 16 CO -0.07 0.71 -0.09 0.25 -1.14 0.00 0.00 176.83 176.49 2ka6 h LEU 17 N 0.73 0.63 -0.59 5.07 5.85 -0.77 -1.37 115.31 124.87 2ka6 h LEU 17 Ca 0.18 -0.37 0.04 0.00 0.84 0.00 0.00 57.88 58.57 2ka6 h LEU 17 Cb 0.20 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 2ka6 h LEU 17 CO -0.01 0.86 0.34 0.58 -0.34 0.00 0.00 178.44 179.87 2ka6 h VAL 18 N 0.40 1.02 0.48 1.05 2.07 -0.91 -0.25 116.25 120.11 2ka6 h VAL 18 Ca 0.08 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 2ka6 h VAL 18 Cb 0.59 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.66 2ka6 h VAL 18 CO 0.03 0.12 -0.27 -0.74 0.02 0.00 0.00 177.57 176.73 2ka6 h HIS 19 N 0.66 -0.72 -0.63 1.57 -0.00 -0.97 -3.02 115.15 112.04 2ka6 h HIS 19 Ca 0.25 -0.01 0.11 0.00 -0.00 0.00 0.00 60.37 60.72 2ka6 h HIS 19 Cb 0.09 0.25 -0.04 0.00 -0.00 0.00 0.00 27.41 27.71 2ka6 h HIS 19 CO -0.07 -0.43 0.42 0.00 -0.00 0.00 0.00 177.93 177.85 2ka6 h ALA 20 N -0.22 2.05 0.00 5.26 0.00 -0.85 0.11 119.26 125.61 2ka6 h ALA 20 Ca -0.06 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2ka6 h ALA 20 Cb 0.57 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2ka6 h ALA 20 CO 0.07 -0.19 -0.02 0.00 0.00 0.00 0.00 179.25 179.11 2ka6 n GLN 22 N -3.16 1.55 -2.12 0.00 6.02 -0.49 -4.93 117.38 114.26 2ka6 n GLN 22 Ca -0.01 0.02 -0.37 0.00 -0.01 0.00 0.00 57.00 56.63 2ka6 n GLN 22 Cb 0.23 -1.32 0.00 0.00 1.02 0.00 0.00 30.24 30.17 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 -0.64 5.40 -1.82 0.00 5.12 -1.26 -4.88 116.66 118.57 2ka6 n ARG 24 Ca 0.08 -0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.57 2ka6 n ARG 24 Cb 0.47 -0.71 -0.03 0.00 -1.16 0.00 0.00 32.46 31.04 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 -1.43 6.19 0.57 0.55 0.01 -1.26 -4.89 114.94 114.68 2ka6 s ASN 25 Ca 0.01 2.10 0.27 0.00 -0.71 0.00 0.00 52.86 54.53 2ka6 s ASN 25 Cb 0.03 -2.53 1.69 0.00 0.41 0.00 0.00 41.25 40.85 2ka6 s ASN 25 CO 0.16 -1.34 2.22 0.00 -1.51 0.00 0.00 177.10 176.63 2ka6 h ALA 26 N 11.70 1.67 -1.45 0.60 0.00 -1.99 -3.22 119.26 126.57 2ka6 h ALA 26 Ca -0.41 -0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.08 2ka6 h ALA 26 Cb 1.21 0.00 -0.38 0.00 0.00 0.00 0.00 17.79 18.62 2ka6 h ALA 26 CO 0.97 -0.04 -1.13 0.09 0.00 0.00 0.00 179.25 179.13 2ka6 n ASN 27 N -4.00 0.82 -4.32 0.00 3.02 -1.26 -4.86 115.26 104.65 2ka6 n ASN 27 Ca -0.02 -2.91 -0.34 0.00 -0.03 0.00 0.00 54.58 51.28 2ka6 n ASN 27 Cb 0.11 -0.41 0.10 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 -1.36 0.00 -3.41 0.00 4.64 -2.01 -3.43 113.55 107.98 2ka6 h SER 29 Ca -0.44 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.34 2ka6 h SER 29 Cb 1.29 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.35 2ka6 h SER 29 CO 0.32 0.03 0.27 -0.76 -0.87 0.00 0.00 176.83 175.82 2ka6 s LEU 30 N -6.43 4.38 0.38 5.97 1.43 -1.26 -4.97 118.68 118.17 2ka6 s LEU 30 Ca -0.02 1.52 0.10 0.00 -1.03 0.00 0.00 54.13 54.70 2ka6 s LEU 30 Cb 0.11 -3.40 0.78 0.00 0.03 0.00 0.00 46.19 43.71 2ka6 s LEU 30 CO 0.51 -0.17 1.91 1.55 0.23 0.00 0.00 176.35 180.38 2ka6 h PRO 31 N 6.55 0.22 -0.01 1.29 0.13 -2.01 -3.11 132.00 135.06 2ka6 h PRO 31 Ca -0.41 -0.05 -0.09 0.00 -0.87 0.00 0.00 66.00 64.57 2ka6 h PRO 31 Cb 1.21 -0.03 0.01 0.00 0.13 0.00 0.00 31.00 32.32 2ka6 h PRO 31 CO 0.74 0.38 -0.34 0.66 -0.23 0.00 0.00 178.00 179.21 2ka6 h SER 32 N 0.21 0.33 -0.71 1.44 4.64 -1.95 -3.34 113.55 114.17 2ka6 h SER 32 Ca 0.04 -0.74 0.15 0.00 -0.47 0.00 0.00 61.79 60.77 2ka6 h SER 32 Cb 0.40 -0.10 -0.11 0.00 -0.31 0.00 0.00 62.40 62.28 2ka6 h SER 32 CO 0.02 1.03 0.15 0.00 -0.87 0.00 0.00 176.83 177.16 2ka6 h GLN 34 N 0.25 0.82 0.13 0.00 4.20 -1.66 -2.22 115.11 116.62 2ka6 h GLN 34 Ca 0.40 -0.05 -0.25 0.00 0.06 0.00 0.00 58.65 58.81 2ka6 h GLN 34 Cb 0.67 -0.18 0.01 0.00 0.30 0.00 0.00 27.48 28.27 2ka6 h GLN 34 CO -0.51 0.54 -1.23 -0.22 -0.67 0.00 0.00 178.83 176.75 2ka6 h LYS 35 N 0.84 0.27 -0.69 1.46 3.64 -1.25 -3.32 116.57 117.51 2ka6 h LYS 35 Ca 0.55 -0.45 0.10 0.00 -1.27 0.00 0.00 60.65 59.57 2ka6 h LYS 35 Cb 0.76 0.17 -0.07 0.00 -0.41 0.00 0.00 32.23 32.67 2ka6 h LYS 35 CO -0.33 1.22 0.32 0.52 -2.27 0.00 0.00 179.45 178.91 2ka6 h MET 36 N -0.32 0.53 -0.76 1.90 2.86 -0.55 0.06 114.93 118.65 2ka6 h MET 36 Ca -0.25 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.34 2ka6 h MET 36 Cb 1.73 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 33.23 2ka6 h MET 36 CO 0.09 0.35 0.39 0.87 1.06 0.00 0.00 176.91 179.68 2ka6 h LYS 37 N 0.55 1.07 -0.38 1.72 1.57 -1.57 -1.03 116.57 118.50 2ka6 h LYS 37 Ca 0.35 -0.14 -0.12 0.00 -1.87 0.00 0.00 60.65 58.87 2ka6 h LYS 37 Cb 0.39 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 2ka6 h LYS 37 CO -0.29 0.81 -0.24 0.00 -0.57 0.00 0.00 179.45 179.17 2ka6 h ARG 38 N 1.05 0.78 0.03 3.15 3.08 -1.44 -0.72 114.38 120.30 2ka6 h ARG 38 Ca 0.26 -0.32 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 2ka6 h ARG 38 Cb 0.07 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.09 2ka6 h ARG 38 CO -0.04 0.94 -0.01 0.28 -1.07 0.00 0.00 179.97 180.07 2ka6 h VAL 39 N 0.67 1.10 0.54 2.04 2.07 -0.80 -0.70 116.25 121.18 2ka6 h VAL 39 Ca 0.09 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 2ka6 h VAL 39 Cb 0.76 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 2ka6 h VAL 39 CO 0.06 0.10 -0.45 0.58 0.02 0.00 0.00 177.57 177.88 2ka6 h VAL 40 N -0.20 0.11 -0.73 2.57 2.07 -1.13 -2.28 116.25 116.65 2ka6 h VAL 40 Ca -0.00 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.68 2ka6 h VAL 40 Cb 0.19 0.11 -0.13 0.00 -1.52 0.00 0.00 31.29 29.94 2ka6 h VAL 40 CO 0.01 0.00 -0.04 1.56 0.02 0.00 0.00 177.57 179.11 2ka6 h GLN 41 N -0.97 0.07 0.53 1.57 1.08 -1.10 0.26 115.11 116.55 2ka6 h GLN 41 Ca -0.06 -0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.12 2ka6 h GLN 41 Cb 0.83 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.23 2ka6 h GLN 41 CO -0.01 0.05 -0.36 1.25 -0.95 0.00 0.00 178.83 178.80 2ka6 h HIS 42 N 0.07 -0.97 -0.29 2.96 2.76 -0.92 -3.06 115.15 115.71 2ka6 h HIS 42 Ca 0.39 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.55 2ka6 h HIS 42 Cb 0.66 0.35 -0.01 0.00 1.55 0.00 0.00 27.41 29.96 2ka6 h HIS 42 CO -0.46 -0.54 0.16 1.15 -1.30 0.00 0.00 177.93 176.95 2ka6 h THR 43 N -0.86 1.09 0.00 6.26 2.02 -0.81 -1.30 112.91 119.31 2ka6 h THR 43 Ca -0.06 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.90 2ka6 h THR 43 Cb 0.72 0.70 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 2ka6 h THR 43 CO 0.03 0.10 0.01 0.29 0.37 0.00 0.00 175.52 176.32 2ka6 n LYS 44 N -4.47 0.02 -0.43 6.66 5.02 0.02 -3.15 118.16 121.84 2ka6 n LYS 44 Ca 0.01 0.51 0.00 0.00 -2.02 0.00 0.00 58.31 56.82 2ka6 n LYS 44 Cb 0.09 -1.59 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 0.48 3.70 0.72 0.00 -0.67 -5.08 105.19 102.89 2ka6 n GLY 45 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.80 2.27 0.00 0.00 4.76 -1.26 -4.71 118.16 118.42 2ka6 n LYS 47 Ca 0.11 -1.88 0.00 0.00 -2.87 0.00 0.00 58.31 53.67 2ka6 n LYS 47 Cb 0.44 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 32.15 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 1.19 0.00 0.00 1.97 0.00 -1.26 -5.00 116.66 113.56 2ka6 n ARG 48 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.02 2ka6 n ARG 48 Cb 0.55 -0.27 0.00 0.00 -0.00 0.00 0.00 32.46 32.74 2ka6 n ARG 48 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 2ka6 n LYS 49 N -2.30 0.00 0.17 2.89 2.85 -1.26 -0.90 118.16 119.60 2ka6 n LYS 49 Ca 0.00 0.00 0.12 0.00 -1.05 0.00 0.00 58.31 57.38 2ka6 n LYS 49 Cb 0.11 0.00 0.65 0.00 -0.65 0.00 0.00 35.03 35.13 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 0.00 0.92 -0.24 0.58 1.35 -1.92 -0.05 112.91 113.55 2ka6 h THR 50 Ca 0.00 -0.01 -0.10 0.00 -0.55 0.00 0.00 66.41 65.75 2ka6 h THR 50 Cb 0.00 0.89 -0.01 0.00 -1.73 0.00 0.00 68.15 67.30 2ka6 h THR 50 CO 0.00 0.00 -0.28 -1.13 -0.25 0.00 0.00 175.52 173.87 2ka6 h ASN 51 N 0.02 0.49 0.00 5.36 -0.73 -1.97 -3.35 115.58 115.40 2ka6 h ASN 51 Ca 0.09 -0.17 -0.33 0.00 1.87 0.00 0.00 56.30 57.76 2ka6 h ASN 51 Cb 0.31 -0.13 -0.06 0.00 0.27 0.00 0.00 38.32 38.71 2ka6 h ASN 51 CO -0.00 0.75 -2.24 0.61 -0.37 0.00 0.00 177.43 176.18 2ka6 n GLY 52 N -0.33 -0.74 0.00 1.57 0.00 -0.08 -5.04 105.19 100.57 2ka6 n GLY 52 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 2.03 -0.16 3.68 -0.02 0.00 -0.19 -4.99 105.19 105.53 2ka6 n GLY 53 Ca -0.32 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.24 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 7.43 0.00 0.00 0.00 0.13 -2.00 -3.26 132.00 134.30 2ka6 h PRO 55 Ca -0.46 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 2ka6 h PRO 55 Cb 1.26 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 2ka6 h PRO 55 CO 0.92 0.00 -0.16 0.28 -0.23 0.00 0.00 178.00 178.81 2ka6 h VAL 56 N 0.00 0.21 -0.56 1.56 2.07 -1.98 -3.25 116.25 114.31 2ka6 h VAL 56 Ca 0.00 -1.17 0.11 0.00 0.82 0.00 0.00 66.70 66.46 2ka6 h VAL 56 Cb 0.93 0.41 -0.10 0.00 -1.52 0.00 0.00 31.29 31.01 2ka6 h VAL 56 CO 0.00 0.07 -0.09 0.00 0.02 0.00 0.00 177.57 177.57 2ka6 h LYS 58 N 0.04 0.00 0.06 0.00 3.64 -1.74 -2.89 116.57 115.69 2ka6 h LYS 58 Ca 0.28 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.49 2ka6 h LYS 58 Cb 0.43 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.27 2ka6 h LYS 58 CO -0.54 0.00 -0.70 0.37 -2.27 0.00 0.00 179.45 176.31 2ka6 h GLN 59 N 0.00 0.36 -0.35 1.90 5.75 -0.99 -3.22 115.11 118.56 2ka6 h GLN 59 Ca 0.02 -0.48 0.01 0.00 -0.15 0.00 0.00 58.65 58.06 2ka6 h GLN 59 Cb 0.14 0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.83 2ka6 h GLN 59 CO -0.00 1.17 0.22 -0.07 -2.65 0.00 0.00 178.83 177.49 2ka6 h LEU 60 N -0.22 0.36 -1.13 -2.39 4.07 -1.34 -3.07 115.31 111.58 2ka6 h LEU 60 Ca -0.11 -0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.84 2ka6 h LEU 60 Cb 1.47 -0.08 -0.04 0.00 1.08 0.00 0.00 40.66 43.09 2ka6 h LEU 60 CO 0.14 0.26 0.42 0.40 -1.08 0.00 0.00 178.44 178.57 2ka6 h ILE 61 N 0.44 1.22 0.11 1.22 2.04 -1.65 0.13 117.51 121.01 2ka6 h ILE 61 Ca 0.14 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 2ka6 h ILE 61 Cb -0.02 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.26 2ka6 h ILE 61 CO -0.05 0.24 -0.05 0.00 0.00 0.00 0.00 178.15 178.28 2ka6 h ALA 62 N 1.43 -0.15 -0.86 1.87 0.00 -1.55 0.13 119.26 120.14 2ka6 h ALA 62 Ca 0.26 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.21 2ka6 h ALA 62 Cb 0.01 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.78 2ka6 h ALA 62 CO -0.04 -0.54 0.49 1.25 0.00 0.00 0.00 179.25 180.41 2ka6 h LEU 63 N -0.24 0.70 -0.15 0.00 6.46 -1.32 -1.77 115.31 118.98 2ka6 h LEU 63 Ca -0.02 0.05 -0.23 0.00 -0.12 0.00 0.00 57.88 57.57 2ka6 h LEU 63 Cb 0.20 -0.08 0.01 0.00 -0.73 0.00 0.00 40.66 40.06 2ka6 h LEU 63 CO 0.03 0.38 -0.82 0.00 -0.62 0.00 0.00 178.44 177.40 2ka6 h TYR 66 N 0.57 0.58 0.00 0.00 3.20 -1.39 -1.66 116.97 118.28 2ka6 h TYR 66 Ca 0.23 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.04 2ka6 h TYR 66 Cb 0.10 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 2ka6 h TYR 66 CO -0.08 0.17 -0.57 1.25 -1.64 0.00 0.00 178.16 177.29 2ka6 h HIS 67 N 0.45 0.00 -0.40 -3.82 2.76 -1.45 -3.40 115.15 109.30 2ka6 h HIS 67 Ca 0.46 0.00 0.12 0.00 -2.20 0.00 0.00 60.37 58.75 2ka6 h HIS 67 Cb 1.07 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.02 2ka6 h HIS 67 CO -0.00 0.71 0.30 0.00 -1.30 0.00 0.00 177.93 177.64 2ka6 h ALA 68 N -0.62 2.35 -0.35 5.26 0.00 -0.41 -1.26 119.26 124.23 2ka6 h ALA 68 Ca -0.12 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.83 2ka6 h ALA 68 Cb 0.79 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 2ka6 h ALA 68 CO -0.07 -0.50 0.07 0.87 0.00 0.00 0.00 179.25 179.61 2ka6 h LYS 69 N 0.00 0.18 0.00 0.00 1.57 -1.52 -3.21 116.57 113.60 2ka6 h LYS 69 Ca 0.19 -0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 58.79 2ka6 h LYS 69 Cb 0.78 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.02 2ka6 h LYS 69 CO -0.00 0.12 -1.42 0.72 -0.57 0.00 0.00 179.45 178.30 2ka6 n HIS 70 N -5.09 0.99 -1.78 -1.35 8.25 -0.88 -4.97 115.22 110.38 2ka6 n HIS 70 Ca 0.01 0.33 -0.38 0.00 -0.26 0.00 0.00 57.72 57.42 2ka6 n HIS 70 Cb 0.16 -1.09 0.05 0.00 1.12 0.00 0.00 29.99 30.23 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 -1.34 -0.08 -2.45 0.00 6.02 -1.26 -4.96 117.38 113.30 2ka6 n GLN 72 Ca 0.12 -0.34 -0.31 0.00 -0.01 0.00 0.00 57.00 56.46 2ka6 n GLN 72 Cb 0.46 -0.70 -0.03 0.00 1.02 0.00 0.00 30.24 30.99 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 -0.08 3.84 0.00 -1.09 2.56 -1.26 -5.01 118.70 117.65 2ka6 s GLU 73 Ca 0.00 0.77 0.10 0.00 0.00 0.00 0.00 54.97 55.83 2ka6 s GLU 73 Cb 0.00 -2.20 -0.02 0.00 2.00 0.00 0.00 34.13 33.90 2ka6 s GLU 73 CO 0.00 -0.25 0.57 0.09 -0.56 0.00 0.00 175.26 175.11 2ka6 n ASN 74 N -1.70 1.02 -0.12 -1.70 3.02 -1.26 -4.57 115.26 109.95 2ka6 n ASN 74 Ca 0.05 -1.01 0.08 0.00 -0.03 0.00 0.00 54.58 53.67 2ka6 n ASN 74 Cb 0.54 0.59 0.11 0.00 -0.61 0.00 0.00 39.78 40.40 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 -0.48 1.23 -1.64 3.52 4.01 -1.26 -5.03 118.16 118.51 2ka6 n LYS 75 Ca 0.03 -2.22 -0.45 0.00 -0.51 0.00 0.00 58.31 55.16 2ka6 n LYS 75 Cb 0.19 -1.30 -0.02 0.00 -0.51 0.00 0.00 35.03 33.39 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 3.20 0.00 -6.50 0.00 0.13 -1.95 -3.44 132.00 123.44 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 1.31 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.46 2ka6 h PRO 77 CO 0.68 0.28 0.90 0.08 -0.23 0.00 0.00 178.00 179.72 2ka6 s VAL 78 N -3.92 3.02 0.42 1.56 1.01 -1.26 -4.86 120.40 116.37 2ka6 s VAL 78 Ca -0.01 0.61 0.14 0.00 0.00 0.00 0.00 61.98 62.71 2ka6 s VAL 78 Cb 0.12 -3.39 0.15 0.00 0.00 0.00 0.00 36.38 33.27 2ka6 s VAL 78 CO 0.66 0.02 1.94 1.55 0.00 0.00 0.00 175.10 179.27 2ka6 h PRO 79 N 7.59 0.00 0.00 2.72 0.13 -1.97 -3.15 132.00 137.31 2ka6 h PRO 79 Ca -0.42 -0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.49 2ka6 h PRO 79 Cb 1.20 -0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 2ka6 h PRO 79 CO 0.91 0.25 -1.31 0.74 -0.23 0.00 0.00 178.00 178.36 2ka6 h PHE 80 N 0.00 0.00 -0.17 1.56 0.04 -1.96 -3.37 116.94 113.03 2ka6 h PHE 80 Ca -0.00 0.00 0.05 0.00 2.80 0.00 0.00 57.97 60.81 2ka6 h PHE 80 Cb 0.43 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.51 2ka6 h PHE 80 CO 0.00 0.84 -0.43 0.00 -0.60 0.00 0.00 178.31 178.12 2ka6 h LEU 82 N -0.47 0.26 -0.87 0.00 -0.00 -1.78 -0.10 115.31 112.35 2ka6 h LEU 82 Ca 0.08 -0.09 0.07 0.00 -0.00 0.00 0.00 57.88 57.94 2ka6 h LEU 82 Cb 0.62 -0.07 -0.07 0.00 -0.00 0.00 0.00 40.66 41.15 2ka6 h LEU 82 CO -0.43 0.28 0.54 0.78 -0.00 0.00 0.00 178.44 179.60 2ka6 h ASN 83 N 0.22 0.82 0.07 -0.43 2.35 -1.63 -0.74 115.58 116.25 2ka6 h ASN 83 Ca 0.07 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.84 2ka6 h ASN 83 Cb 0.08 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.30 2ka6 h ASN 83 CO -0.01 0.51 -0.04 0.40 -1.65 0.00 0.00 177.43 176.64 2ka6 h ILE 84 N 0.95 1.19 -0.72 2.81 2.04 -0.85 -3.31 117.51 119.62 2ka6 h ILE 84 Ca 0.39 -1.42 0.16 0.00 1.00 0.00 0.00 64.86 64.99 2ka6 h ILE 84 Cb 0.23 2.04 -0.12 0.00 -0.74 0.00 0.00 36.82 38.24 2ka6 h ILE 84 CO -0.19 0.33 0.09 0.50 0.00 0.00 0.00 178.15 178.87 2ka6 h LYS 85 N -0.80 0.18 -0.94 2.37 3.64 -0.84 -0.48 116.57 119.70 2ka6 h LYS 85 Ca -0.01 -0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.46 2ka6 h LYS 85 Cb 0.61 -0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 32.31 2ka6 h LYS 85 CO 0.02 0.12 0.58 0.45 -2.27 0.00 0.00 179.45 178.34 2ka6 h HIS 86 N 0.18 1.05 0.01 1.91 3.86 -1.26 -1.24 115.15 119.67 2ka6 h HIS 86 Ca 0.40 0.03 -0.14 0.00 -1.16 0.00 0.00 60.37 59.49 2ka6 h HIS 86 Cb 0.68 -0.33 0.01 0.00 1.06 0.00 0.00 27.41 28.83 2ka6 h HIS 86 CO -0.33 0.45 -0.57 0.87 0.86 0.00 0.00 177.93 179.21 2ka6 h LYS 87 N 0.96 0.37 -0.76 2.45 1.57 -1.23 -3.04 116.57 116.88 2ka6 h LYS 87 Ca 0.45 -0.41 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 2ka6 h LYS 87 Cb 0.38 0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.77 2ka6 h LYS 87 CO -0.24 1.09 0.50 -0.07 -0.57 0.00 0.00 179.45 180.16 2ka6 h LEU 88 N -0.17 0.86 -0.45 2.94 3.38 -0.88 -1.77 115.31 119.22 2ka6 h LEU 88 Ca -0.07 -0.02 -0.17 0.00 0.09 0.00 0.00 57.88 57.71 2ka6 h LEU 88 Cb 1.30 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 2ka6 h LEU 88 CO 0.11 0.62 -0.77 0.03 0.09 0.00 0.00 178.44 178.51 2ka6 h ARG 89 N 1.01 0.10 0.13 1.13 2.47 -1.36 -3.32 114.38 114.55 2ka6 h ARG 89 Ca 0.29 -0.10 -0.28 0.00 -1.26 0.00 0.00 59.98 58.62 2ka6 h ARG 89 Cb -0.09 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.26 2ka6 h ARG 89 CO -0.07 0.82 -1.33 1.96 0.56 0.00 0.00 179.97 181.91 2ka6 h GLN 90 N 0.06 0.27 -7.22 0.04 1.08 -1.40 -3.47 115.11 104.49 2ka6 h GLN 90 Ca -0.02 -0.47 -0.50 0.00 -1.45 0.00 0.00 58.65 56.21 2ka6 h GLN 90 Cb 1.36 0.17 0.08 0.00 -0.05 0.00 0.00 27.48 29.04 2ka6 h GLN 90 CO 0.11 1.20 0.37 -0.65 -0.95 0.00 0.00 178.83 178.91 2ka6 s GLN 91 N -2.64 3.16 0.00 1.46 -1.52 -0.68 -5.11 119.66 114.33 2ka6 s GLN 91 Ca -0.05 1.21 0.00 0.00 -1.95 0.00 0.00 55.36 54.56 2ka6 s GLN 91 Cb 0.07 -2.01 0.00 0.00 -0.22 0.00 0.00 33.01 30.85 2ka6 s GLN 91 CO 0.88 -0.94 0.00 1.04 -0.25 0.00 0.00 175.29 176.02