#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 -0.84 0.00 1.43 0.13 -2.08 -2.86 132.00 127.78 2ka6 h PRO 2 Ca 0.00 0.06 -0.22 0.00 -0.87 0.00 0.00 66.00 64.97 2ka6 h PRO 2 Cb 0.00 0.19 -0.04 0.00 0.13 0.00 0.00 31.00 31.28 2ka6 h PRO 2 CO 0.00 -0.54 -1.53 1.04 -0.23 0.00 0.00 178.00 176.74 2ka6 n GLN 3 N -5.36 0.62 0.26 0.86 1.13 -1.26 -4.21 117.38 109.42 2ka6 n GLN 3 Ca -0.11 0.26 0.13 0.00 -1.94 0.00 0.00 57.00 55.33 2ka6 n GLN 3 Cb 0.36 -1.80 0.69 0.00 0.11 0.00 0.00 30.24 29.60 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 0.00 -0.84 -1.09 4.39 -2.01 -3.18 114.58 111.86 2ka6 h GLU 4 Ca -0.21 0.00 0.17 0.00 0.34 0.00 0.00 59.36 59.66 2ka6 h GLU 4 Cb 1.76 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 30.31 2ka6 h GLU 4 CO 0.06 0.13 0.38 1.03 -1.16 0.00 0.00 179.01 179.45 2ka6 h SER 5 N 0.00 0.39 -0.09 1.42 0.87 -1.67 0.11 113.55 114.58 2ka6 h SER 5 Ca -0.00 0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.66 2ka6 h SER 5 Cb 0.42 0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.45 2ka6 h SER 5 CO 0.02 0.12 -0.00 0.03 -0.53 0.00 0.00 176.83 176.46 2ka6 h ARG 6 N 0.50 0.16 -0.27 2.24 3.08 -1.85 -2.64 114.38 115.59 2ka6 h ARG 6 Ca 0.48 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.47 2ka6 h ARG 6 Cb 0.77 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.79 2ka6 h ARG 6 CO -0.43 0.42 0.16 0.00 -1.07 0.00 0.00 179.97 179.05 2ka6 h ARG 7 N -0.13 0.37 -0.37 0.04 3.08 -1.35 -1.87 114.38 114.14 2ka6 h ARG 7 Ca 0.02 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 2ka6 h ARG 7 Cb 0.36 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 2ka6 h ARG 7 CO 0.00 0.31 -0.13 -0.07 -1.07 0.00 0.00 179.97 179.02 2ka6 h LEU 8 N 0.33 0.65 -0.59 3.04 3.38 -0.93 -2.39 115.31 118.80 2ka6 h LEU 8 Ca 0.10 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 2ka6 h LEU 8 Cb 0.04 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2ka6 h LEU 8 CO -0.02 0.80 -0.04 0.28 0.09 0.00 0.00 178.44 179.55 2ka6 h SER 9 N 0.60 1.05 -0.90 -0.43 0.02 -1.23 -2.92 113.55 109.75 2ka6 h SER 9 Ca 0.10 -0.32 -0.00 0.00 -0.84 0.00 0.00 61.79 60.73 2ka6 h SER 9 Cb 0.56 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.77 2ka6 h SER 9 CO 0.04 1.13 0.55 0.40 -1.14 0.00 0.00 176.83 177.81 2ka6 h ILE 10 N 0.96 1.24 -0.81 3.27 2.04 -1.09 -2.28 117.51 120.84 2ka6 h ILE 10 Ca 0.16 -0.51 0.03 0.00 1.00 0.00 0.00 64.86 65.54 2ka6 h ILE 10 Cb 0.61 -0.03 -0.05 0.00 -0.74 0.00 0.00 36.82 36.61 2ka6 h ILE 10 CO 0.04 0.25 0.54 1.56 0.00 0.00 0.00 178.15 180.53 2ka6 h GLN 11 N 1.23 0.99 -0.56 2.37 1.08 -1.25 -0.01 115.11 118.96 2ka6 h GLN 11 Ca 0.32 -0.06 -0.08 0.00 -1.45 0.00 0.00 58.65 57.39 2ka6 h GLN 11 Cb -0.07 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.11 2ka6 h GLN 11 CO -0.06 0.65 0.04 0.00 -0.95 0.00 0.00 178.83 178.52 2ka6 h ARG 12 N 1.02 0.92 -0.57 1.46 2.47 -1.27 -1.49 114.38 116.92 2ka6 h ARG 12 Ca 0.32 -0.25 -0.10 0.00 -1.26 0.00 0.00 59.98 58.70 2ka6 h ARG 12 Cb 0.02 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.21 2ka6 h ARG 12 CO -0.09 0.89 -0.03 0.00 0.56 0.00 0.00 179.97 181.30 2ka6 h ILE 14 N 0.91 1.00 -1.00 0.00 2.04 -0.77 -0.62 117.51 119.08 2ka6 h ILE 14 Ca 0.16 -0.02 0.02 0.00 1.00 0.00 0.00 64.86 66.03 2ka6 h ILE 14 Cb 0.58 0.95 -0.05 0.00 -0.74 0.00 0.00 36.82 37.55 2ka6 h ILE 14 CO 0.03 0.01 0.66 1.56 0.00 0.00 0.00 178.15 180.41 2ka6 h GLN 15 N 0.05 1.27 -0.44 2.37 1.08 -1.18 -0.27 115.11 117.99 2ka6 h GLN 15 Ca 0.02 -0.08 -0.03 0.00 -1.45 0.00 0.00 58.65 57.11 2ka6 h GLN 15 Cb 0.00 -0.29 -0.02 0.00 -0.05 0.00 0.00 27.48 27.13 2ka6 h GLN 15 CO -0.01 0.84 0.16 0.77 -0.95 0.00 0.00 178.83 179.63 2ka6 h SER 16 N 1.31 0.62 -0.37 1.46 0.02 -0.87 -0.45 113.55 115.28 2ka6 h SER 16 Ca 0.38 -0.19 -0.10 0.00 -0.84 0.00 0.00 61.79 61.04 2ka6 h SER 16 Cb -0.08 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 2ka6 h SER 16 CO -0.10 0.64 -0.17 0.25 -1.14 0.00 0.00 176.83 176.31 2ka6 h LEU 17 N 0.57 0.78 -0.60 5.07 5.85 -0.81 -1.45 115.31 124.72 2ka6 h LEU 17 Ca 0.14 -0.40 0.03 0.00 0.84 0.00 0.00 57.88 58.50 2ka6 h LEU 17 Cb 0.23 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 2ka6 h LEU 17 CO -0.01 1.01 0.36 0.58 -0.34 0.00 0.00 178.44 180.04 2ka6 h VAL 18 N 0.55 1.05 0.35 1.05 2.07 -0.97 -0.42 116.25 119.93 2ka6 h VAL 18 Ca 0.08 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 2ka6 h VAL 18 Cb 0.71 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 2ka6 h VAL 18 CO 0.05 0.13 -0.17 -0.74 0.02 0.00 0.00 177.57 176.86 2ka6 h HIS 19 N 0.70 -0.44 -0.56 1.57 -0.00 -0.99 -2.97 115.15 112.46 2ka6 h HIS 19 Ca 0.25 -0.01 0.08 0.00 -0.00 0.00 0.00 60.37 60.69 2ka6 h HIS 19 Cb 0.05 0.15 -0.03 0.00 -0.00 0.00 0.00 27.41 27.57 2ka6 h HIS 19 CO -0.06 -0.27 0.37 0.00 -0.00 0.00 0.00 177.93 177.97 2ka6 h ALA 20 N 0.19 1.98 0.00 5.26 0.00 -0.90 0.59 119.26 126.38 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 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2ka6 h ALA 20 CO 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.23 2ka6 n GLN 22 N -2.01 0.77 -1.14 0.00 6.02 -0.30 -4.88 117.38 115.84 2ka6 n GLN 22 Ca 0.02 -0.03 -0.29 0.00 -0.01 0.00 0.00 57.00 56.70 2ka6 n GLN 22 Cb 0.18 -1.09 0.18 0.00 1.02 0.00 0.00 30.24 30.53 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 -4.24 3.41 -1.77 0.00 3.00 -1.26 -4.99 116.66 110.80 2ka6 n ARG 24 Ca 0.05 0.00 -0.42 0.00 -0.01 0.00 0.00 57.85 57.47 2ka6 n ARG 24 Cb 0.57 -0.28 -0.03 0.00 0.00 0.00 0.00 32.46 32.72 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 0.00 6.49 0.51 0.55 0.01 -1.26 -4.90 114.94 116.34 2ka6 s ASN 25 Ca 0.00 2.63 0.25 0.00 -0.71 0.00 0.00 52.86 55.04 2ka6 s ASN 25 Cb 0.00 -2.55 1.39 0.00 0.41 0.00 0.00 41.25 40.50 2ka6 s ASN 25 CO 0.00 -0.99 2.07 0.00 -1.51 0.00 0.00 177.10 176.67 2ka6 h ALA 26 N 9.16 1.36 -1.45 0.60 0.00 -2.01 -3.27 119.26 123.64 2ka6 h ALA 26 Ca -0.46 -0.11 -0.41 0.00 0.00 0.00 0.00 54.91 53.93 2ka6 h ALA 26 Cb 1.22 -0.02 -0.39 0.00 0.00 0.00 0.00 17.79 18.60 2ka6 h ALA 26 CO 0.94 0.16 -1.15 0.09 0.00 0.00 0.00 179.25 179.29 2ka6 n ASN 27 N -3.76 0.92 -4.49 0.00 3.02 -1.26 -4.96 115.26 104.73 2ka6 n ASN 27 Ca -0.02 -2.89 -0.37 0.00 -0.03 0.00 0.00 54.58 51.27 2ka6 n ASN 27 Cb 0.23 -0.46 0.05 0.00 -0.61 0.00 0.00 39.78 39.00 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 0.10 0.00 -3.34 0.00 4.64 -2.01 -3.42 113.55 109.52 2ka6 h SER 29 Ca -0.46 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.31 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 0.37 -0.76 -0.87 0.00 0.00 176.83 176.03 2ka6 s LEU 30 N -5.39 4.30 0.38 5.97 1.43 -1.26 -4.96 118.68 119.14 2ka6 s LEU 30 Ca -0.01 1.45 0.10 0.00 -1.03 0.00 0.00 54.13 54.64 2ka6 s LEU 30 Cb 0.09 -3.41 0.74 0.00 0.03 0.00 0.00 46.19 43.64 2ka6 s LEU 30 CO 0.39 -0.30 1.88 1.55 0.23 0.00 0.00 176.35 180.10 2ka6 h PRO 31 N 6.95 0.21 -0.07 1.29 0.13 -2.01 -3.07 132.00 135.42 2ka6 h PRO 31 Ca -0.37 -0.06 -0.10 0.00 -0.87 0.00 0.00 66.00 64.61 2ka6 h PRO 31 Cb 1.18 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2ka6 h PRO 31 CO 0.79 0.40 -0.35 0.66 -0.23 0.00 0.00 178.00 179.27 2ka6 h SER 32 N 0.19 0.43 -0.64 1.44 4.64 -1.95 -3.32 113.55 114.35 2ka6 h SER 32 Ca 0.04 -0.65 0.13 0.00 -0.47 0.00 0.00 61.79 60.84 2ka6 h SER 32 Cb 0.46 -0.13 -0.10 0.00 -0.31 0.00 0.00 62.40 62.32 2ka6 h SER 32 CO 0.03 1.01 0.07 0.00 -0.87 0.00 0.00 176.83 177.08 2ka6 h GLN 34 N 0.18 0.22 0.08 0.00 4.20 -1.64 -2.09 115.11 116.06 2ka6 h GLN 34 Ca 0.34 -0.01 -0.31 0.00 0.06 0.00 0.00 58.65 58.73 2ka6 h GLN 34 Cb 0.56 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 2ka6 h GLN 34 CO -0.50 0.15 -1.69 -0.22 -0.67 0.00 0.00 178.83 175.90 2ka6 h LYS 35 N 0.23 0.16 -0.92 1.46 3.64 -1.18 -3.35 116.57 116.60 2ka6 h LYS 35 Ca 0.28 -0.28 0.10 0.00 -1.27 0.00 0.00 60.65 59.49 2ka6 h LYS 35 Cb 0.80 0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 32.66 2ka6 h LYS 35 CO -0.06 1.13 0.59 0.52 -2.27 0.00 0.00 179.45 179.37 2ka6 h MET 36 N -0.36 0.88 -0.40 1.90 2.86 -0.44 -0.59 114.93 118.78 2ka6 h MET 36 Ca -0.39 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.17 2ka6 h MET 36 Cb 1.74 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 33.18 2ka6 h MET 36 CO -0.03 0.58 0.16 0.87 1.06 0.00 0.00 176.91 179.55 2ka6 h LYS 37 N 0.91 0.59 -0.49 1.72 1.57 -1.57 -0.72 116.57 118.59 2ka6 h LYS 37 Ca 0.44 -0.11 -0.09 0.00 -1.87 0.00 0.00 60.65 59.02 2ka6 h LYS 37 Cb 0.45 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 2ka6 h LYS 37 CO -0.20 0.56 -0.05 0.00 -0.57 0.00 0.00 179.45 179.19 2ka6 h ARG 38 N 0.50 0.85 0.51 3.15 3.08 -1.47 -1.58 114.38 119.41 2ka6 h ARG 38 Ca 0.13 -0.26 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 2ka6 h ARG 38 Cb 0.18 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.16 2ka6 h ARG 38 CO -0.01 0.88 -0.24 0.28 -1.07 0.00 0.00 179.97 179.81 2ka6 h VAL 39 N 0.78 0.47 -0.75 2.04 2.07 -0.99 -1.91 116.25 117.95 2ka6 h VAL 39 Ca 0.14 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 2ka6 h VAL 39 Cb 0.54 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 2ka6 h VAL 39 CO 0.03 0.04 0.34 1.62 0.02 0.00 0.00 177.57 179.62 2ka6 h VAL 40 N -0.82 1.25 -0.78 2.57 3.04 -1.11 -2.59 116.25 117.81 2ka6 h VAL 40 Ca -0.07 -0.72 0.10 0.00 -1.01 0.00 0.00 66.70 65.01 2ka6 h VAL 40 Cb 0.58 0.32 -0.08 0.00 -2.01 0.00 0.00 31.29 30.11 2ka6 h VAL 40 CO 0.11 0.30 0.41 1.56 -1.01 0.00 0.00 177.57 178.95 2ka6 h GLN 41 N 1.07 0.66 0.46 4.17 1.08 -1.27 0.28 115.11 121.55 2ka6 h GLN 41 Ca 0.26 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.39 2ka6 h GLN 41 Cb 0.15 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 2ka6 h GLN 41 CO -0.03 0.43 -0.22 1.25 -0.95 0.00 0.00 178.83 179.32 2ka6 h HIS 42 N 0.68 -0.57 -0.62 2.96 2.76 -1.00 -3.22 115.15 116.14 2ka6 h HIS 42 Ca 0.39 -0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.57 2ka6 h HIS 42 Cb 0.42 0.19 -0.03 0.00 1.55 0.00 0.00 27.41 29.53 2ka6 h HIS 42 CO -0.09 -0.29 0.41 1.15 -1.30 0.00 0.00 177.93 177.82 2ka6 h THR 43 N -0.76 1.09 0.00 6.26 2.02 -1.16 -1.65 112.91 118.71 2ka6 h THR 43 Ca -0.06 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.86 2ka6 h THR 43 Cb 0.54 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 2ka6 h THR 43 CO 0.10 0.14 0.01 0.29 0.37 0.00 0.00 175.52 176.43 2ka6 n LYS 44 N -4.46 0.00 -0.47 6.66 5.02 0.06 -3.19 118.16 121.78 2ka6 n LYS 44 Ca 0.07 0.32 0.00 0.00 -2.02 0.00 0.00 58.31 56.69 2ka6 n LYS 44 Cb 0.12 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 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 -1.32 0.77 3.75 0.72 0.00 -0.70 -5.08 105.19 103.34 2ka6 n GLY 45 Ca 0.00 0.00 -0.36 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 -1.46 1.22 0.03 0.00 4.01 -1.26 -4.74 118.16 115.96 2ka6 n LYS 47 Ca 0.13 -0.97 0.00 0.00 -0.51 0.00 0.00 58.31 56.96 2ka6 n LYS 47 Cb 0.49 -1.48 0.00 0.00 -0.51 0.00 0.00 35.03 33.53 2ka6 n LYS 47 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 2ka6 n ARG 48 N -0.04 0.00 0.00 1.97 5.12 -1.26 -4.96 116.66 117.49 2ka6 n ARG 48 Ca 0.10 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.02 2ka6 n ARG 48 Cb 0.46 -0.28 0.00 0.00 -1.16 0.00 0.00 32.46 31.48 2ka6 n ARG 48 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 2ka6 n LYS 49 N -2.97 0.00 -0.15 5.56 2.85 -1.26 -0.59 118.16 121.59 2ka6 n LYS 49 Ca 0.00 0.00 0.11 0.00 -1.05 0.00 0.00 58.31 57.37 2ka6 n LYS 49 Cb 0.20 0.00 0.44 0.00 -0.65 0.00 0.00 35.03 35.02 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 0.00 0.58 1.35 -1.93 0.41 112.91 114.24 2ka6 h THR 50 Ca 0.00 -0.19 -0.14 0.00 -0.55 0.00 0.00 66.41 65.53 2ka6 h THR 50 Cb 0.00 0.31 -0.02 0.00 -1.73 0.00 0.00 68.15 66.71 2ka6 h THR 50 CO 0.00 0.10 -0.66 0.78 -0.25 0.00 0.00 175.52 175.49 2ka6 h ASN 51 N 0.56 0.00 0.14 5.36 2.35 -1.95 -3.32 115.58 118.72 2ka6 h ASN 51 Ca 0.32 0.00 -0.36 0.00 -0.55 0.00 0.00 56.30 55.72 2ka6 h ASN 51 Cb 0.51 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.82 2ka6 h ASN 51 CO -0.11 0.66 -2.18 0.61 -1.65 0.00 0.00 177.43 174.76 2ka6 n GLY 52 N 0.70 -0.77 0.00 2.83 0.00 0.24 -5.03 105.19 103.16 2ka6 n GLY 52 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 1.87 0.66 3.69 -0.02 0.00 -0.01 -4.97 105.19 106.40 2ka6 n GLY 53 Ca -0.32 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 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 8.31 0.00 0.59 0.00 0.13 -2.00 -3.31 132.00 135.71 2ka6 h PRO 55 Ca -0.43 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.67 2ka6 h PRO 55 Cb 1.20 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.34 2ka6 h PRO 55 CO 0.93 0.46 -0.28 0.28 -0.23 0.00 0.00 178.00 179.16 2ka6 h VAL 56 N 0.00 0.00 -0.54 1.56 2.07 -1.97 -2.94 116.25 114.43 2ka6 h VAL 56 Ca -0.00 -0.39 0.10 0.00 0.82 0.00 0.00 66.70 67.22 2ka6 h VAL 56 Cb 1.13 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.80 2ka6 h VAL 56 CO 0.06 0.00 -0.34 0.00 0.02 0.00 0.00 177.57 177.31 2ka6 h LYS 58 N -0.19 0.37 -0.33 0.00 3.64 -1.68 -2.47 116.57 115.92 2ka6 h LYS 58 Ca 0.21 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.51 2ka6 h LYS 58 Cb 0.55 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 2ka6 h LYS 58 CO -0.64 0.25 -0.03 0.37 -2.27 0.00 0.00 179.45 177.12 2ka6 h GLN 59 N 0.38 0.60 -0.22 1.90 5.75 -0.83 -2.71 115.11 119.98 2ka6 h GLN 59 Ca 0.29 -0.21 -0.01 0.00 -0.15 0.00 0.00 58.65 58.58 2ka6 h GLN 59 Cb 0.63 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.13 2ka6 h GLN 59 CO -0.08 0.75 0.11 -0.07 -2.65 0.00 0.00 178.83 176.89 2ka6 h LEU 60 N 0.39 0.29 -1.16 -2.39 4.07 -1.23 -3.04 115.31 112.25 2ka6 h LEU 60 Ca 0.09 -0.12 -0.02 0.00 0.08 0.00 0.00 57.88 57.91 2ka6 h LEU 60 Cb 0.50 -0.07 -0.03 0.00 1.08 0.00 0.00 40.66 42.14 2ka6 h LEU 60 CO 0.02 0.33 0.36 0.40 -1.08 0.00 0.00 178.44 178.48 2ka6 h ILE 61 N 0.23 1.21 -0.01 1.22 2.04 -1.48 0.16 117.51 120.88 2ka6 h ILE 61 Ca 0.08 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.41 2ka6 h ILE 61 Cb 0.12 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 36.49 2ka6 h ILE 61 CO -0.01 0.23 -0.00 0.00 0.00 0.00 0.00 178.15 178.37 2ka6 h ALA 62 N 1.45 0.00 -0.75 1.87 0.00 -1.44 0.16 119.26 120.56 2ka6 h ALA 62 Ca 0.24 0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.22 2ka6 h ALA 62 Cb 0.04 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 2ka6 h ALA 62 CO -0.04 -0.50 0.43 1.25 0.00 0.00 0.00 179.25 180.39 2ka6 h LEU 63 N -0.00 0.64 -0.43 0.00 6.46 -1.26 -1.82 115.31 118.89 2ka6 h LEU 63 Ca 0.01 0.03 -0.17 0.00 -0.12 0.00 0.00 57.88 57.63 2ka6 h LEU 63 Cb 0.01 -0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 39.85 2ka6 h LEU 63 CO -0.01 0.40 -0.56 0.00 -0.62 0.00 0.00 178.44 177.65 2ka6 h TYR 66 N 0.62 0.78 0.28 0.00 5.03 -1.34 -0.81 116.97 121.53 2ka6 h TYR 66 Ca 0.17 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.49 2ka6 h TYR 66 Cb -0.03 -0.25 0.00 0.00 1.55 0.00 0.00 36.73 38.01 2ka6 h TYR 66 CO -0.03 0.41 -0.13 1.25 -1.32 0.00 0.00 178.16 178.33 2ka6 h HIS 67 N 0.80 -0.35 -0.74 -3.82 2.76 -1.27 -3.33 115.15 109.20 2ka6 h HIS 67 Ca 0.30 -0.01 0.14 0.00 -2.20 0.00 0.00 60.37 58.61 2ka6 h HIS 67 Cb 0.12 0.11 -0.05 0.00 1.55 0.00 0.00 27.41 29.15 2ka6 h HIS 67 CO -0.06 0.01 0.49 0.00 -1.30 0.00 0.00 177.93 177.07 2ka6 h ALA 68 N -0.47 2.12 -0.99 5.26 0.00 -0.62 -0.25 119.26 124.31 2ka6 h ALA 68 Ca -0.04 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.94 2ka6 h ALA 68 Cb 0.51 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.17 2ka6 h ALA 68 CO 0.06 -0.31 0.64 0.87 0.00 0.00 0.00 179.25 180.51 2ka6 h LYS 69 N 0.40 1.12 0.04 0.00 1.57 -1.25 -3.09 116.57 115.35 2ka6 h LYS 69 Ca 0.36 -0.07 -0.31 0.00 -1.87 0.00 0.00 60.65 58.76 2ka6 h LYS 69 Cb 0.83 -0.25 -0.04 0.00 0.08 0.00 0.00 32.23 32.84 2ka6 h LYS 69 CO -0.11 0.74 -1.78 0.72 -0.57 0.00 0.00 179.45 178.45 2ka6 n HIS 70 N -4.52 1.09 -1.22 -1.35 8.25 -0.51 -4.99 115.22 111.97 2ka6 n HIS 70 Ca 0.15 0.34 -0.33 0.00 -0.26 0.00 0.00 57.72 57.62 2ka6 n HIS 70 Cb 0.19 -1.18 0.11 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 -3.16 0.99 -2.16 0.00 3.00 -1.26 -4.94 117.38 109.85 2ka6 n GLN 72 Ca 0.13 -0.05 -0.32 0.00 -0.01 0.00 0.00 57.00 56.74 2ka6 n GLN 72 Cb 0.51 -0.33 -0.01 0.00 0.00 0.00 0.00 30.24 30.41 2ka6 n GLN 72 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 2ka6 s GLU 73 N -0.16 3.59 0.00 -1.09 2.56 -1.26 -5.01 118.70 117.34 2ka6 s GLU 73 Ca 0.00 1.04 0.11 0.00 0.00 0.00 0.00 54.97 56.12 2ka6 s GLU 73 Cb 0.00 -2.08 -0.04 0.00 2.00 0.00 0.00 34.13 34.01 2ka6 s GLU 73 CO 0.00 -0.57 0.61 0.09 -0.56 0.00 0.00 175.26 174.83 2ka6 n ASN 74 N -1.96 1.06 -0.05 -1.70 3.02 -1.26 -4.55 115.26 109.82 2ka6 n ASN 74 Ca 0.07 -1.03 0.06 0.00 -0.03 0.00 0.00 54.58 53.66 2ka6 n ASN 74 Cb 0.53 0.63 0.09 0.00 -0.61 0.00 0.00 39.78 40.42 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 -0.54 1.83 -1.63 3.52 5.02 -1.26 -5.02 118.16 120.08 2ka6 n LYS 75 Ca 0.04 -2.16 -0.45 0.00 -2.02 0.00 0.00 58.31 53.72 2ka6 n LYS 75 Cb 0.22 -1.30 -0.02 0.00 -0.02 0.00 0.00 35.03 33.91 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 2.65 0.00 -6.46 0.00 0.13 -1.93 -3.44 132.00 122.94 2ka6 h PRO 77 Ca -0.42 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.17 2ka6 h PRO 77 Cb 1.32 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.46 2ka6 h PRO 77 CO 0.65 0.23 0.80 0.08 -0.23 0.00 0.00 178.00 179.53 2ka6 s VAL 78 N -3.89 3.44 0.34 1.56 1.01 -1.26 -4.88 120.40 116.72 2ka6 s VAL 78 Ca -0.01 0.94 0.08 0.00 0.00 0.00 0.00 61.98 62.99 2ka6 s VAL 78 Cb 0.12 -3.61 0.11 0.00 0.00 0.00 0.00 36.38 33.00 2ka6 s VAL 78 CO 0.64 0.03 1.82 1.55 0.00 0.00 0.00 175.10 179.14 2ka6 h PRO 79 N 7.42 0.27 0.00 2.72 0.13 -1.98 -3.16 132.00 137.40 2ka6 h PRO 79 Ca -0.40 -0.09 -0.17 0.00 -0.87 0.00 0.00 66.00 64.47 2ka6 h PRO 79 Cb 1.20 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 2ka6 h PRO 79 CO 0.89 0.49 -1.08 0.74 -0.23 0.00 0.00 178.00 178.81 2ka6 h PHE 80 N 0.25 0.00 -0.27 1.56 0.04 -1.96 -3.38 116.94 113.18 2ka6 h PHE 80 Ca 0.04 0.00 0.06 0.00 2.80 0.00 0.00 57.97 60.87 2ka6 h PHE 80 Cb 0.54 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 38.62 2ka6 h PHE 80 CO 0.01 0.68 -0.37 0.00 -0.60 0.00 0.00 178.31 178.03 2ka6 h LEU 82 N -0.36 0.16 -0.78 0.00 -0.00 -1.76 0.80 115.31 113.37 2ka6 h LEU 82 Ca 0.12 -0.11 0.05 0.00 -0.00 0.00 0.00 57.88 57.94 2ka6 h LEU 82 Cb 0.57 -0.04 -0.05 0.00 -0.00 0.00 0.00 40.66 41.13 2ka6 h LEU 82 CO -0.47 0.23 0.48 0.78 -0.00 0.00 0.00 178.44 179.47 2ka6 h ASN 83 N 0.08 0.77 0.14 -0.43 2.35 -1.64 -0.67 115.58 116.19 2ka6 h ASN 83 Ca 0.04 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 2ka6 h ASN 83 Cb 0.11 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.33 2ka6 h ASN 83 CO -0.01 0.51 -0.07 0.40 -1.65 0.00 0.00 177.43 176.62 2ka6 h ILE 84 N 0.91 0.99 -0.64 2.81 2.04 -0.83 -3.21 117.51 119.59 2ka6 h ILE 84 Ca 0.33 -1.03 0.13 0.00 1.00 0.00 0.00 64.86 65.29 2ka6 h ILE 84 Cb 0.10 1.59 -0.11 0.00 -0.74 0.00 0.00 36.82 37.66 2ka6 h ILE 84 CO -0.15 0.23 -0.01 0.50 0.00 0.00 0.00 178.15 178.72 2ka6 h LYS 85 N -0.73 0.10 -0.27 2.37 3.64 -0.63 -0.31 116.57 120.75 2ka6 h LYS 85 Ca -0.02 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.40 2ka6 h LYS 85 Cb 0.52 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.27 2ka6 h LYS 85 CO 0.03 0.07 -0.04 0.45 -2.27 0.00 0.00 179.45 177.69 2ka6 h HIS 86 N 0.11 -0.09 -0.39 1.91 3.86 -1.22 0.18 115.15 119.50 2ka6 h HIS 86 Ca 0.33 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.56 2ka6 h HIS 86 Cb 0.54 0.08 -0.02 0.00 1.06 0.00 0.00 27.41 29.08 2ka6 h HIS 86 CO -0.38 -0.09 0.21 0.87 0.86 0.00 0.00 177.93 179.40 2ka6 h LYS 87 N 0.03 0.54 -0.31 2.45 1.57 -1.20 -2.31 116.57 117.35 2ka6 h LYS 87 Ca 0.13 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 2ka6 h LYS 87 Cb 0.19 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2ka6 h LYS 87 CO -0.25 0.44 -0.07 -0.07 -0.57 0.00 0.00 179.45 178.92 2ka6 h LEU 88 N 0.50 0.60 -0.69 2.94 3.38 -0.77 -3.25 115.31 118.02 2ka6 h LEU 88 Ca 0.14 -0.36 -0.13 0.00 0.09 0.00 0.00 57.88 57.61 2ka6 h LEU 88 Cb 0.05 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2ka6 h LEU 88 CO -0.02 0.83 -0.37 0.03 0.09 0.00 0.00 178.44 179.00 2ka6 h ARG 89 N 0.37 0.60 0.00 1.13 2.47 -0.98 -3.16 114.38 114.81 2ka6 h ARG 89 Ca 0.08 -0.29 0.00 0.00 -1.26 0.00 0.00 59.98 58.51 2ka6 h ARG 89 Cb 0.56 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.88 2ka6 h ARG 89 CO 0.03 0.87 0.00 1.04 0.56 0.00 0.00 179.97 182.47 2ka6 n GLN 90 N -4.05 0.09 0.12 0.04 6.02 -0.87 -3.60 117.38 115.14 2ka6 n GLN 90 Ca -0.01 0.19 0.11 0.00 -0.01 0.00 0.00 57.00 57.27 2ka6 n GLN 90 Cb 0.50 -1.50 0.48 0.00 1.02 0.00 0.00 30.24 30.73 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 -1.42 0.15 0.00 -1.09 6.02 -1.19 -5.10 117.38 114.75 2ka6 n GLN 91 Ca 0.05 0.47 0.00 0.00 -0.01 0.00 0.00 57.00 57.52 2ka6 n GLN 91 Cb 0.17 -1.84 0.00 0.00 1.02 0.00 0.00 30.24 29.58 2ka6 n GLN 91 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09