#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kg5 n MET 21 N 0.00 0.54 -3.12 -0.41 1.56 -1.26 -5.12 117.12 109.31 2kg5 n MET 21 Ca 0.00 -3.41 -0.19 0.00 -0.27 0.00 0.00 57.70 53.83 2kg5 n MET 21 Cb 0.00 -1.73 0.02 0.00 2.15 0.00 0.00 33.22 33.66 2kg5 n MET 21 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2kg5 s ALA 22 N -0.36 4.55 0.17 -5.12 0.00 -1.26 -4.57 121.76 115.18 2kg5 s ALA 22 Ca 0.32 -1.85 0.07 0.00 0.00 0.00 0.00 51.96 50.49 2kg5 s ALA 22 Cb 0.04 -1.46 -0.04 0.00 0.00 0.00 0.00 23.12 21.66 2kg5 s ALA 22 CO -0.18 -0.51 -0.13 0.00 0.00 0.00 0.00 175.76 174.94 2kg5 s ALA 23 N -2.51 1.79 1.07 0.00 0.00 -1.26 -5.16 121.76 115.69 2kg5 s ALA 23 Ca 0.56 -1.55 -0.05 0.00 0.00 0.00 0.00 51.96 50.91 2kg5 s ALA 23 Cb -0.07 -0.05 0.08 0.00 0.00 0.00 0.00 23.12 23.07 2kg5 s ALA 23 CO 0.34 0.04 0.29 -0.35 0.00 0.00 0.00 175.76 176.08 2kg5 n PRO 24 N -0.16 -1.58 -0.04 0.00 -0.04 -1.26 -5.03 135.00 126.89 2kg5 n PRO 24 Ca -0.10 -0.46 -0.04 0.00 -0.04 0.00 0.00 63.50 62.86 2kg5 n PRO 24 Cb 0.60 -0.43 -0.05 0.00 -0.04 0.00 0.00 33.50 33.57 2kg5 n PRO 24 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kg5 n GLN 25 N -2.39 2.24 -1.37 0.54 10.64 -1.26 -4.66 117.38 121.12 2kg5 n GLN 25 Ca 0.04 0.01 -0.25 0.00 -1.83 0.00 0.00 57.00 54.97 2kg5 n GLN 25 Cb 0.15 -1.19 -0.05 0.00 -0.86 0.00 0.00 30.24 28.30 2kg5 n GLN 25 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 2kg5 n ASP 26 N -2.38 6.40 -4.47 2.61 -0.08 -1.26 -3.21 116.55 114.16 2kg5 n ASP 26 Ca -0.13 -3.14 -0.38 0.00 -1.51 0.00 0.00 54.79 49.63 2kg5 n ASP 26 Cb 0.72 -1.22 -0.12 0.00 2.34 0.00 0.00 41.12 42.85 2kg5 n ASP 26 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 2kg5 s LEU 27 N -2.00 3.95 0.16 -2.67 2.96 -1.26 -5.03 118.68 114.78 2kg5 s LEU 27 Ca 0.55 -0.36 -0.33 0.00 -0.22 0.00 0.00 54.13 53.78 2kg5 s LEU 27 Cb 0.36 -2.01 -0.16 0.00 0.50 0.00 0.00 46.19 44.88 2kg5 s LEU 27 CO -0.18 -0.13 1.10 -0.67 -1.32 0.00 0.00 176.35 175.15 2kg5 n ASP 28 N 4.99 0.99 0.33 3.68 2.03 -1.26 -1.82 116.55 125.48 2kg5 n ASP 28 Ca -0.14 1.14 0.21 0.00 0.52 0.00 0.00 54.79 56.52 2kg5 n ASP 28 Cb 0.50 -1.16 1.11 0.00 -0.72 0.00 0.00 41.12 40.85 2kg5 n ASP 28 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 2kg5 h ILE 29 N 2.57 0.05 -0.02 5.18 6.09 -0.80 -0.38 117.51 130.20 2kg5 h ILE 29 Ca -0.43 0.00 -0.21 0.00 -1.37 0.00 0.00 64.86 62.85 2kg5 h ILE 29 Cb 1.36 0.93 -0.00 0.00 0.47 0.00 0.00 36.82 39.57 2kg5 h ILE 29 CO 0.68 0.00 -0.86 0.00 -3.07 0.00 0.00 178.15 174.90 2kg5 h ALA 30 N 1.86 0.47 0.00 0.18 0.00 -1.85 -2.80 119.26 117.12 2kg5 h ALA 30 Ca 0.00 -0.68 -0.07 0.00 0.00 0.00 0.00 54.91 54.16 2kg5 h ALA 30 Cb 0.15 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2kg5 h ALA 30 CO -0.00 0.82 -0.34 0.28 0.00 0.00 0.00 179.25 180.01 2kg5 h VAL 31 N 0.22 0.71 0.07 0.00 2.07 -1.41 -1.55 116.25 116.37 2kg5 h VAL 31 Ca -0.06 -1.56 -0.00 0.00 0.82 0.00 0.00 66.70 65.90 2kg5 h VAL 31 Cb 1.48 2.02 0.00 0.00 -1.52 0.00 0.00 31.29 33.27 2kg5 h VAL 31 CO 0.15 0.33 -0.03 -0.25 0.02 0.00 0.00 177.57 177.79 2kg5 h TRP 32 N 0.00 -0.09 0.00 1.57 7.01 -1.46 -3.29 115.95 119.69 2kg5 h TRP 32 Ca -0.00 -0.00 -0.04 0.00 2.11 0.00 0.00 58.89 60.96 2kg5 h TRP 32 Cb 0.99 0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 28.08 2kg5 h TRP 32 CO 0.00 0.48 -0.17 -0.07 -2.79 0.00 0.00 178.44 175.89 2kg5 h LEU 33 N -0.89 0.00 -2.23 0.65 3.38 -1.57 -2.65 115.31 112.01 2kg5 h LEU 33 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2kg5 h LEU 33 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2kg5 h LEU 33 CO 0.02 0.17 0.00 0.00 0.09 0.00 0.00 178.44 178.72 2kg5 h ALA 34 N 1.83 1.00 0.00 1.53 0.00 -1.35 -1.02 119.26 121.25 2kg5 h ALA 34 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2kg5 h ALA 34 Cb 0.64 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2kg5 h ALA 34 CO 0.02 0.00 -0.19 1.79 0.00 0.00 0.00 179.25 180.87 2kg5 h THR 35 N 0.00 0.60 -0.17 0.00 1.35 -1.57 -2.71 112.91 110.41 2kg5 h THR 35 Ca 0.00 -0.87 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 2kg5 h THR 35 Cb 0.12 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 2kg5 h THR 35 CO 0.00 0.19 0.00 1.33 -0.25 0.00 0.00 175.52 176.79 2kg5 n VAL 36 N -3.53 1.60 -3.34 6.82 0.24 -0.53 -4.97 118.33 114.61 2kg5 n VAL 36 Ca -0.01 -1.57 -0.18 0.00 -2.04 0.00 0.00 64.34 60.54 2kg5 n VAL 36 Cb 0.34 0.09 0.07 0.00 -1.47 0.00 0.00 33.84 32.87 2kg5 n VAL 36 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 2kg5 n HIS 37 N -0.48 -2.23 -2.17 6.34 -0.00 -1.02 -4.91 115.22 110.76 2kg5 n HIS 37 Ca 0.13 0.81 0.02 0.00 -0.00 0.00 0.00 57.72 58.69 2kg5 n HIS 37 Cb 0.58 -4.31 0.02 0.00 -0.00 0.00 0.00 29.99 26.29 2kg5 n HIS 37 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2kg5 n LEU 38 N -4.02 0.64 0.22 0.27 4.77 -0.50 -4.85 117.00 113.52 2kg5 n LEU 38 Ca -0.04 -1.63 0.18 0.00 -0.03 0.00 0.00 56.01 54.49 2kg5 n LEU 38 Cb 0.57 -0.04 0.85 0.00 -2.33 0.00 0.00 43.42 42.47 2kg5 n LEU 38 CO 0.52 0.42 1.15 1.05 -1.33 0.00 0.00 177.39 179.20 2kg5 h GLU 39 N 0.47 0.00 -0.12 3.23 4.11 -1.78 0.06 114.58 120.56 2kg5 h GLU 39 Ca -0.10 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.36 2kg5 h GLU 39 Cb 1.59 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.83 2kg5 h GLU 39 CO 0.04 0.00 0.13 -0.56 0.07 0.00 0.00 179.01 178.70 2kg5 h GLN 40 N 0.00 0.00 0.00 1.06 -0.00 -1.90 0.26 115.11 114.53 2kg5 h GLN 40 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.73 2kg5 h GLN 40 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.00 2kg5 h GLN 40 CO -0.00 0.00 0.00 0.66 -0.00 0.00 0.00 178.83 179.49 2kg5 n TYR 41 N -3.81 0.00 0.26 0.06 4.01 0.01 -3.14 117.16 114.55 2kg5 n TYR 41 Ca -0.00 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.84 2kg5 n TYR 41 Cb 0.24 -0.41 0.71 0.00 -0.31 0.00 0.00 39.34 39.57 2kg5 n TYR 41 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2kg5 h ALA 42 N 2.85 1.89 0.16 -0.72 0.00 -0.64 -2.74 119.26 120.06 2kg5 h ALA 42 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2kg5 h ALA 42 Cb 0.29 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2kg5 h ALA 42 CO 0.00 -0.01 -0.13 0.22 0.00 0.00 0.00 179.25 179.33 2kg5 h ASP 43 N 0.00 -0.33 -0.68 0.00 3.58 -1.75 0.85 116.42 118.09 2kg5 h ASP 43 Ca 0.00 0.02 0.16 0.00 0.42 0.00 0.00 57.03 57.64 2kg5 h ASP 43 Cb 0.02 0.10 -0.04 0.00 1.72 0.00 0.00 39.33 41.14 2kg5 h ASP 43 CO -0.00 -0.18 0.47 0.00 -2.88 0.00 0.00 179.24 176.65 2kg5 h THR 44 N -0.28 0.75 0.24 2.25 1.03 -1.80 -1.75 112.91 113.35 2kg5 h THR 44 Ca -0.02 -0.07 -0.01 0.00 -0.01 0.00 0.00 66.41 66.29 2kg5 h THR 44 Cb 0.23 0.51 0.00 0.00 -1.07 0.00 0.00 68.15 67.83 2kg5 h THR 44 CO 0.01 0.04 -0.12 -0.26 -0.01 0.00 0.00 175.52 175.18 2kg5 h PHE 45 N 0.22 -0.30 -0.52 0.00 -1.00 -1.16 -2.26 116.94 111.92 2kg5 h PHE 45 Ca 0.33 -0.01 0.04 0.00 2.81 0.00 0.00 57.97 61.15 2kg5 h PHE 45 Cb 0.99 0.10 -0.04 0.00 3.61 0.00 0.00 35.95 40.60 2kg5 h PHE 45 CO -0.00 -0.02 0.27 0.00 -1.61 0.00 0.00 178.31 176.94 2kg5 h ARG 46 N -0.56 0.50 0.00 1.51 3.08 -0.01 0.45 114.38 119.35 2kg5 h ARG 46 Ca -0.03 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2kg5 h ARG 46 Cb 0.41 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.35 2kg5 h ARG 46 CO 0.05 0.33 0.00 -0.09 -1.07 0.00 0.00 179.97 179.20 2kg5 h ARG 47 N 0.52 0.00 -0.00 0.04 9.65 -1.33 -0.04 114.38 123.22 2kg5 h ARG 47 Ca 0.23 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.11 2kg5 h ARG 47 Cb 0.13 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.71 2kg5 h ARG 47 CO -0.16 0.00 -0.18 1.58 2.80 0.00 0.00 179.97 184.01 2kg5 n HIS 48 N -2.43 0.00 -0.05 2.20 -0.00 0.12 -4.90 115.22 110.17 2kg5 n HIS 48 Ca -0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2kg5 n HIS 48 Cb 0.12 -0.20 0.00 0.00 -0.12 0.00 0.00 29.99 29.80 2kg5 n HIS 48 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2kg5 n GLY 49 N 1.33 0.97 2.49 1.57 0.00 -0.03 -5.06 105.19 106.47 2kg5 n GLY 49 Ca 0.12 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 2kg5 n GLY 49 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2kg5 s LEU 50 N 0.00 0.80 -0.04 0.99 2.34 -1.05 -4.95 118.68 116.76 2kg5 s LEU 50 Ca 0.00 -1.82 0.21 0.00 0.06 0.00 0.00 54.13 52.58 2kg5 s LEU 50 Cb 0.00 -0.38 0.68 0.00 -0.56 0.00 0.00 46.19 45.93 2kg5 s LEU 50 CO 0.00 -0.36 1.58 0.00 -1.06 0.00 0.00 176.35 176.51 2kg5 n ALA 51 N 4.54 2.66 -3.02 1.48 0.00 -1.26 -2.99 120.51 121.92 2kg5 n ALA 51 Ca 0.05 -1.42 -0.11 0.00 0.00 0.00 0.00 53.44 51.95 2kg5 n ALA 51 Cb 0.39 -0.96 -0.10 0.00 0.00 0.00 0.00 19.45 18.78 2kg5 n ALA 51 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2kg5 s THR 52 N -1.33 0.09 0.61 0.00 -4.23 -1.26 -0.08 115.64 109.44 2kg5 s THR 52 Ca 0.50 -0.78 0.40 0.00 -1.18 0.00 0.00 61.69 60.63 2kg5 s THR 52 Cb 0.29 -0.56 0.42 0.00 1.34 0.00 0.00 72.50 73.98 2kg5 s THR 52 CO 0.30 -0.43 2.32 0.00 -0.54 0.00 0.00 174.62 176.27 2kg5 h ALA 53 N 4.07 1.13 0.00 3.99 0.00 -1.56 -0.50 119.26 126.39 2kg5 h ALA 53 Ca -0.31 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 2kg5 h ALA 53 Cb 1.19 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2kg5 h ALA 53 CO 0.43 0.01 -0.39 0.78 0.00 0.00 0.00 179.25 180.07 2kg5 h GLY 54 N 0.14 0.00 -0.89 0.00 0.00 -1.82 -2.27 103.07 98.24 2kg5 h GLY 54 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2kg5 h GLY 54 CO 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 176.54 176.27 2kg5 n ALA 55 N -2.14 3.11 0.03 3.60 0.00 -0.24 -4.15 120.51 120.72 2kg5 n ALA 55 Ca 0.02 -0.58 0.03 0.00 0.00 0.00 0.00 53.44 52.91 2kg5 n ALA 55 Cb 0.56 -0.91 -0.04 0.00 0.00 0.00 0.00 19.45 19.06 2kg5 n ALA 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kg5 n ALA 56 N 0.17 2.28 -1.45 0.00 0.00 -0.96 -4.69 120.51 115.87 2kg5 n ALA 56 Ca 0.12 -0.14 -0.49 0.00 0.00 0.00 0.00 53.44 52.93 2kg5 n ALA 56 Cb 0.46 -0.20 -0.07 0.00 0.00 0.00 0.00 19.45 19.64 2kg5 n ALA 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kg5 n ARG 57 N -1.63 0.97 0.00 0.00 1.74 -0.86 -1.86 116.66 115.03 2kg5 n ARG 57 Ca -0.01 0.24 0.00 0.00 -0.77 0.00 0.00 57.85 57.31 2kg5 n ARG 57 Cb 0.14 -2.45 0.00 0.00 -1.02 0.00 0.00 32.46 29.14 2kg5 n ARG 57 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2kg5 n GLY 58 N 6.54 1.42 3.58 -0.13 0.00 -1.26 -5.05 105.19 110.29 2kg5 n GLY 58 Ca 0.43 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.04 2kg5 n GLY 58 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kg5 n LEU 59 N 0.00 2.29 -4.71 0.99 4.32 -0.78 -5.00 117.00 114.11 2kg5 n LEU 59 Ca 0.00 0.99 -0.31 0.00 -0.02 0.00 0.00 56.01 56.67 2kg5 n LEU 59 Cb 0.00 -1.32 -0.09 0.00 -1.62 0.00 0.00 43.42 40.39 2kg5 n LEU 59 CO 0.00 -1.75 -0.27 -0.83 -1.22 0.00 0.00 177.39 173.32 2kg5 s GLY 60 N -0.82 2.83 0.13 -0.72 0.00 -1.26 -5.00 107.32 102.48 2kg5 s GLY 60 Ca 0.64 -1.08 -0.28 0.00 0.00 0.00 0.00 44.72 44.00 2kg5 s GLY 60 CO 0.56 -2.15 1.60 0.45 0.00 0.00 0.00 173.10 173.55 2kg5 h HIS 61 N 1.51 -1.03 -0.48 1.90 3.86 -1.97 0.93 115.15 119.87 2kg5 h HIS 61 Ca -0.44 0.04 0.14 0.00 -1.16 0.00 0.00 60.37 58.95 2kg5 h HIS 61 Cb 1.29 0.46 -0.02 0.00 1.06 0.00 0.00 27.41 30.20 2kg5 h HIS 61 CO 1.24 -0.45 0.36 1.49 0.86 0.00 0.00 177.93 181.43 2kg5 h GLU 62 N -0.50 0.00 -0.00 2.45 4.22 -2.01 0.62 114.58 119.36 2kg5 h GLU 62 Ca 0.07 0.00 -0.21 0.00 0.08 0.00 0.00 59.36 59.29 2kg5 h GLU 62 Cb 0.60 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 2kg5 h GLU 62 CO -0.32 0.00 -0.91 1.49 -2.18 0.00 0.00 179.01 177.09 2kg5 h GLU 63 N 0.00 0.33 0.00 1.92 4.57 -1.33 -3.15 114.58 116.92 2kg5 h GLU 63 Ca 0.23 -0.35 -0.04 0.00 -1.18 0.00 0.00 59.36 58.02 2kg5 h GLU 63 Cb 0.94 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.62 2kg5 h GLU 63 CO -0.00 1.04 -0.19 -0.07 -1.18 0.00 0.00 179.01 178.61 2kg5 h LEU 64 N 0.19 0.00 -0.48 1.64 -0.00 0.14 -2.36 115.31 114.43 2kg5 h LEU 64 Ca -0.06 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.78 2kg5 h LEU 64 Cb 1.54 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 42.18 2kg5 h LEU 64 CO 0.15 0.19 0.16 0.11 -0.00 0.00 0.00 178.44 179.05 2kg5 h LYS 65 N 0.00 0.75 0.00 1.13 1.57 -1.42 -2.39 116.57 116.21 2kg5 h LYS 65 Ca -0.00 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 2kg5 h LYS 65 Cb 0.44 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.64 2kg5 h LYS 65 CO 0.02 0.70 -0.01 1.04 -0.57 0.00 0.00 179.45 180.63 2kg5 n GLN 66 N -4.52 0.20 0.24 3.15 6.02 -1.05 -3.22 117.38 118.20 2kg5 n GLN 66 Ca 0.01 0.16 0.12 0.00 -0.01 0.00 0.00 57.00 57.29 2kg5 n GLN 66 Cb 0.18 -1.73 0.53 0.00 1.02 0.00 0.00 30.24 30.24 2kg5 n GLN 66 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2kg5 h LEU 67 N 0.00 0.00 0.00 1.08 3.38 -0.91 -3.46 115.31 115.40 2kg5 h LEU 67 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kg5 h LEU 67 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2kg5 h LEU 67 CO 0.00 0.16 0.00 0.61 0.09 0.00 0.00 178.44 179.30 2kg5 n GLY 68 N 0.07 1.71 3.75 0.83 0.00 -1.20 -4.94 105.19 105.41 2kg5 n GLY 68 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2kg5 n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kg5 s ILE 69 N -2.00 4.54 0.00 -0.61 1.01 -1.10 -4.98 121.20 118.06 2kg5 s ILE 69 Ca 0.00 -0.48 0.01 0.00 0.00 0.00 0.00 60.65 60.17 2kg5 s ILE 69 Cb 0.00 -3.06 0.01 0.00 0.01 0.00 0.00 42.46 39.42 2kg5 s ILE 69 CO 0.00 0.35 0.74 -0.24 0.00 0.00 0.00 174.94 175.79 2kg5 n SER 70 N 1.23 -0.38 0.08 3.58 2.88 -1.26 -4.43 113.62 115.32 2kg5 n SER 70 Ca -0.13 -1.47 0.11 0.00 -1.33 0.00 0.00 58.87 56.05 2kg5 n SER 70 Cb 0.53 0.11 -0.03 0.00 -0.75 0.00 0.00 64.21 64.06 2kg5 n SER 70 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kg5 n ALA 71 N 0.01 2.54 0.00 -1.46 0.00 -1.26 -4.97 120.51 115.37 2kg5 n ALA 71 Ca -0.11 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.03 2kg5 n ALA 71 Cb 0.61 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 19.02 2kg5 n ALA 71 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2kg5 n THR 72 N -2.62 0.00 -0.06 0.00 -1.04 -1.26 -4.27 114.28 105.03 2kg5 n THR 72 Ca -0.01 0.00 0.24 0.00 -2.04 0.00 0.00 64.05 62.24 2kg5 n THR 72 Cb 0.57 0.00 0.72 0.00 -1.82 0.00 0.00 70.33 69.80 2kg5 n THR 72 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2kg5 h GLY 73 N 0.00 0.00 1.24 3.41 0.00 -2.00 0.03 103.07 105.75 2kg5 h GLY 73 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.01 2kg5 h GLY 73 CO 0.00 0.00 -1.52 0.45 0.00 0.00 0.00 176.54 175.47 2kg5 h HIS 74 N 0.00 0.72 0.18 5.60 -0.00 -1.99 -3.17 115.15 116.49 2kg5 h HIS 74 Ca 0.32 -0.53 0.00 0.00 -0.00 0.00 0.00 60.37 60.16 2kg5 h HIS 74 Cb 1.34 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 28.71 2kg5 h HIS 74 CO 0.00 1.51 -0.17 -0.09 -0.00 0.00 0.00 177.93 179.18 2kg5 h ARG 75 N 0.11 -0.36 0.00 2.45 2.43 -1.35 -1.14 114.38 116.52 2kg5 h ARG 75 Ca -0.25 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 2kg5 h ARG 75 Cb 2.09 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 31.72 2kg5 h ARG 75 CO 0.22 -0.24 0.00 0.87 -1.51 0.00 0.00 179.97 179.30 2kg5 h LYS 76 N -0.38 0.00 0.00 0.20 1.57 -1.53 -1.52 116.57 114.91 2kg5 h LYS 76 Ca -0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 2kg5 h LYS 76 Cb 0.35 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 2kg5 h LYS 76 CO -0.03 0.00 -0.42 -0.09 -0.57 0.00 0.00 179.45 178.33 2kg5 h ARG 77 N 0.00 0.00 0.00 3.15 2.43 -1.19 -2.85 114.38 115.92 2kg5 h ARG 77 Ca 0.00 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.03 2kg5 h ARG 77 Cb 0.23 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 2kg5 h ARG 77 CO 0.00 0.42 -1.01 -0.89 -1.51 0.00 0.00 179.97 176.98 2kg5 n ILE 78 N -3.27 1.49 -0.13 1.20 5.41 -0.62 -4.12 119.36 119.32 2kg5 n ILE 78 Ca 0.02 0.06 0.15 0.00 1.00 0.00 0.00 62.75 63.98 2kg5 n ILE 78 Cb 0.66 -2.19 0.53 0.00 -0.71 0.00 0.00 39.64 37.93 2kg5 n ILE 78 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2kg5 h LEU 79 N -1.00 0.34 -2.24 1.39 3.38 -1.58 0.28 115.31 115.87 2kg5 h LEU 79 Ca -0.22 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 2kg5 h LEU 79 Cb 0.99 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 2kg5 h LEU 79 CO -0.13 0.18 -0.05 0.03 0.09 0.00 0.00 178.44 178.56 2kg5 h ARG 80 N 0.37 0.00 0.01 1.13 3.08 -1.68 -2.14 114.38 115.14 2kg5 h ARG 80 Ca 0.33 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 60.07 2kg5 h ARG 80 Cb 0.79 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.79 2kg5 h ARG 80 CO -0.09 0.05 -1.92 -0.11 -1.07 0.00 0.00 179.97 176.83 2kg5 n LEU 81 N -3.46 0.79 -0.00 3.04 7.94 0.90 -4.17 117.00 122.03 2kg5 n LEU 81 Ca -0.02 0.28 -0.03 0.00 -1.11 0.00 0.00 56.01 55.13 2kg5 n LEU 81 Cb 0.17 0.16 0.20 0.00 0.53 0.00 0.00 43.42 44.49 2kg5 n LEU 81 CO 0.27 0.45 0.77 0.25 -1.11 0.00 0.00 177.39 178.02 2kg5 h LEU 82 N 0.00 0.53 0.00 -1.96 6.46 -0.75 -2.09 115.31 117.50 2kg5 h LEU 82 Ca -0.37 -0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.23 2kg5 h LEU 82 Cb 2.08 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 41.86 2kg5 h LEU 82 CO 0.06 0.74 0.00 0.00 -0.62 0.00 0.00 178.44 178.62 2kg5 n GLN 83 N -4.15 0.65 -1.62 1.25 6.02 -0.86 -4.86 117.38 113.81 2kg5 n GLN 83 Ca 0.00 0.00 -0.45 0.00 -0.01 0.00 0.00 57.00 56.55 2kg5 n GLN 83 Cb 0.38 -1.06 -0.02 0.00 1.02 0.00 0.00 30.24 30.56 2kg5 n GLN 83 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 2kg5 n THR 84 N -0.56 1.76 0.00 5.09 5.66 -0.79 -3.76 114.28 121.69 2kg5 n THR 84 Ca 0.02 -0.44 0.00 0.00 -3.05 0.00 0.00 64.05 60.58 2kg5 n THR 84 Cb 0.01 -1.17 0.00 0.00 -1.55 0.00 0.00 70.33 67.62 2kg5 n THR 84 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2kg5 n GLY 85 N 1.30 1.53 0.12 1.09 0.00 -1.26 -4.98 105.19 102.98 2kg5 n GLY 85 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 2kg5 n GLY 85 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2kg5 h THR 86 N 0.00 1.00 0.00 2.61 1.35 -1.96 -3.48 112.91 112.43 2kg5 h THR 86 Ca 0.00 -2.32 0.00 0.00 -0.55 0.00 0.00 66.41 63.54 2kg5 h THR 86 Cb 0.00 2.59 0.00 0.00 -1.73 0.00 0.00 68.15 69.01 2kg5 h THR 86 CO 0.00 0.60 0.00 -1.84 -0.25 0.00 0.00 175.52 174.03 2kg5 n GLU 87 N -4.08 0.00 -2.93 4.72 0.28 -1.26 -5.09 120.64 112.29 2kg5 n GLU 87 Ca -0.27 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 56.61 2kg5 n GLU 87 Cb 0.82 0.00 0.01 0.00 1.43 0.00 0.00 31.44 33.70 2kg5 n GLU 87 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2kg5 n GLU 88 N -0.59 -2.35 0.00 3.44 2.13 -1.26 -5.03 120.64 116.98 2kg5 n GLU 88 Ca 0.00 2.05 0.00 0.00 0.66 0.00 0.00 57.16 59.87 2kg5 n GLU 88 Cb 0.00 -5.21 0.00 0.00 0.27 0.00 0.00 31.44 26.50 2kg5 n GLU 88 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kg5 n GLY 89 N -0.26 3.82 3.18 8.31 0.00 -1.26 -5.13 105.19 113.84 2kg5 n GLY 89 Ca 0.09 -0.31 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 2kg5 n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kg5 s SER 90 N 1.42 -0.40 -0.85 1.61 0.01 -1.26 -5.10 113.70 109.13 2kg5 s SER 90 Ca 0.00 0.74 -0.06 0.00 1.31 0.00 0.00 55.95 57.94 2kg5 s SER 90 Cb 0.00 0.63 0.22 0.00 0.21 0.00 0.00 66.02 67.08 2kg5 s SER 90 CO 0.00 -0.18 0.75 -0.76 0.41 0.00 0.00 173.24 173.46 2kg5 s LEU 91 N 1.38 5.88 0.51 2.44 1.43 -1.26 -5.00 118.68 124.06 2kg5 s LEU 91 Ca -0.09 -3.27 0.00 0.00 -1.03 0.00 0.00 54.13 49.74 2kg5 s LEU 91 Cb -0.09 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 44.11 2kg5 s LEU 91 CO -0.11 -0.33 0.00 0.47 0.23 0.00 0.00 176.35 176.61 2kg5 n ASP 92 N 3.03 -6.68 -4.37 2.29 8.00 -1.26 -4.94 116.55 112.62 2kg5 n ASP 92 Ca 0.17 1.34 -0.29 0.00 0.71 0.00 0.00 54.79 56.72 2kg5 n ASP 92 Cb 0.40 -4.09 0.20 0.00 -0.02 0.00 0.00 41.12 37.60 2kg5 n ASP 92 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2kg5 s PRO 93 N -4.49 -0.23 -0.23 -0.24 0.04 -1.26 -5.04 135.00 123.55 2kg5 s PRO 93 Ca 0.00 0.29 -0.06 0.00 0.04 0.00 0.00 61.00 61.27 2kg5 s PRO 93 Cb 0.00 -1.68 -0.02 0.00 0.04 0.00 0.00 34.50 32.84 2kg5 s PRO 93 CO 0.00 -3.12 0.02 -1.59 0.04 0.00 0.00 177.00 172.35 2kg5 s LYS 94 N -5.12 3.55 -0.01 4.56 -2.85 -1.26 -4.98 119.74 113.62 2kg5 s LYS 94 Ca 0.67 -0.53 -0.18 0.00 -1.00 0.00 0.00 55.97 54.93 2kg5 s LYS 94 Cb -0.16 -3.19 -0.33 0.00 -2.06 0.00 0.00 37.83 32.09 2kg5 s LYS 94 CO 0.57 -0.18 0.92 1.03 0.10 0.00 0.00 175.35 177.79 2kg5 h SER 95 N 8.13 0.67 -5.95 0.03 0.87 -2.02 -3.48 113.55 111.81 2kg5 h SER 95 Ca -0.39 -0.93 -0.40 0.00 -1.23 0.00 0.00 61.79 58.84 2kg5 h SER 95 Cb 1.17 -0.22 0.09 0.00 -0.44 0.00 0.00 62.40 63.00 2kg5 h SER 95 CO 0.59 1.60 -0.78 -0.67 -0.53 0.00 0.00 176.83 177.04 2kg5 n ASP 96 N -3.88 -2.86 -3.81 6.23 2.03 -1.26 -5.00 116.55 108.00 2kg5 n ASP 96 Ca -0.17 -0.71 -0.12 0.00 0.52 0.00 0.00 54.79 54.31 2kg5 n ASP 96 Cb 0.99 -4.52 -0.12 0.00 -0.72 0.00 0.00 41.12 36.75 2kg5 n ASP 96 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2kg5 s SER 97 N -4.03 -0.17 -0.07 1.67 0.15 -1.26 -5.08 113.70 104.90 2kg5 s SER 97 Ca 0.20 0.31 -0.09 0.00 0.70 0.00 0.00 55.95 57.08 2kg5 s SER 97 Cb -0.10 0.37 -0.03 0.00 -1.71 0.00 0.00 66.02 64.55 2kg5 s SER 97 CO 0.78 -0.10 -0.17 0.00 1.20 0.00 0.00 173.24 174.94 2kg5 n ALA 98 N 2.79 1.04 -2.89 5.45 0.00 -1.26 -5.08 120.51 120.55 2kg5 n ALA 98 Ca -0.14 -0.47 -0.10 0.00 0.00 0.00 0.00 53.44 52.73 2kg5 n ALA 98 Cb 0.58 0.05 0.01 0.00 0.00 0.00 0.00 19.45 20.09 2kg5 n ALA 98 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2kg5 n MET 99 N -3.56 -2.40 0.00 0.00 2.81 -1.26 -5.29 117.12 107.42 2kg5 n MET 99 Ca -0.07 2.11 0.00 0.00 -1.81 0.00 0.00 57.70 57.93 2kg5 n MET 99 Cb 0.25 -5.41 0.00 0.00 -0.71 0.00 0.00 33.22 27.35 2kg5 n MET 99 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57