#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 -2.03 -2.71 -1.40 0.00 -1.26 -4.99 117.12 104.72 2kg5 n MET 21 Ca 0.00 1.85 -0.05 0.00 -0.00 0.00 0.00 57.70 59.51 2kg5 n MET 21 Cb 0.00 -5.32 0.08 0.00 0.00 0.00 0.00 33.22 27.98 2kg5 n MET 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kg5 n ALA 22 N -0.78 2.51 -2.26 -5.12 0.00 -1.26 -5.12 120.51 108.48 2kg5 n ALA 22 Ca 0.06 -2.05 -0.12 0.00 0.00 0.00 0.00 53.44 51.32 2kg5 n ALA 22 Cb 0.50 -0.92 -0.10 0.00 0.00 0.00 0.00 19.45 18.93 2kg5 n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kg5 s ALA 23 N -1.62 1.11 0.06 0.00 0.00 -1.26 -5.12 121.76 114.93 2kg5 s ALA 23 Ca 0.22 -1.35 -0.31 0.00 0.00 0.00 0.00 51.96 50.52 2kg5 s ALA 23 Cb 0.41 0.11 -0.07 0.00 0.00 0.00 0.00 23.12 23.57 2kg5 s ALA 23 CO -0.05 -0.16 1.40 -1.25 0.00 0.00 0.00 175.76 175.70 2kg5 s PRO 24 N -3.59 4.30 0.17 0.00 0.04 -1.26 -4.93 135.00 129.73 2kg5 s PRO 24 Ca 0.12 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.19 2kg5 s PRO 24 Cb 0.03 -3.42 0.04 0.00 0.04 0.00 0.00 34.50 31.19 2kg5 s PRO 24 CO -0.03 -0.51 1.41 -0.56 0.04 0.00 0.00 177.00 177.36 2kg5 h GLN 25 N 7.35 0.30 -2.51 4.56 3.07 -1.98 -3.35 115.11 122.56 2kg5 h GLN 25 Ca -0.40 -0.28 -0.71 0.00 0.09 0.00 0.00 58.65 57.34 2kg5 h GLN 25 Cb 1.20 0.07 -0.34 0.00 0.08 0.00 0.00 27.48 28.48 2kg5 h GLN 25 CO 0.88 0.95 0.19 -0.40 0.09 0.00 0.00 178.83 180.54 2kg5 n ASP 26 N -3.76 5.43 -3.90 0.06 5.68 -1.26 -3.91 116.55 114.89 2kg5 n ASP 26 Ca -0.04 -3.49 -0.25 0.00 -0.50 0.00 0.00 54.79 50.50 2kg5 n ASP 26 Cb 0.75 -0.97 -0.17 0.00 -1.14 0.00 0.00 41.12 39.59 2kg5 n ASP 26 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 2kg5 s LEU 27 N -2.97 1.17 0.20 -2.12 2.96 -1.26 -5.07 118.68 111.59 2kg5 s LEU 27 Ca 0.37 -0.25 -0.32 0.00 -0.22 0.00 0.00 54.13 53.71 2kg5 s LEU 27 Cb 0.13 -0.74 -0.15 0.00 0.50 0.00 0.00 46.19 45.92 2kg5 s LEU 27 CO 0.01 -0.10 1.12 -0.67 -1.32 0.00 0.00 176.35 175.39 2kg5 n ASP 28 N 4.73 1.31 0.33 3.68 -0.08 -1.26 -2.26 116.55 122.99 2kg5 n ASP 28 Ca -0.14 1.15 0.21 0.00 -1.51 0.00 0.00 54.79 54.49 2kg5 n ASP 28 Cb 0.50 -1.23 1.13 0.00 2.34 0.00 0.00 41.12 43.86 2kg5 n ASP 28 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 2kg5 h ILE 29 N 2.50 0.10 -0.02 5.18 6.09 -0.74 -0.91 117.51 129.71 2kg5 h ILE 29 Ca -0.42 0.00 -0.23 0.00 -1.37 0.00 0.00 64.86 62.84 2kg5 h ILE 29 Cb 1.34 0.96 0.01 0.00 0.47 0.00 0.00 36.82 39.60 2kg5 h ILE 29 CO 0.68 0.00 -0.93 0.00 -3.07 0.00 0.00 178.15 174.83 2kg5 h ALA 30 N 1.92 0.33 0.00 0.18 0.00 -1.83 -2.90 119.26 116.96 2kg5 h ALA 30 Ca 0.00 -0.69 -0.06 0.00 0.00 0.00 0.00 54.91 54.17 2kg5 h ALA 30 Cb 0.09 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2kg5 h ALA 30 CO -0.00 0.77 -0.27 0.28 0.00 0.00 0.00 179.25 180.03 2kg5 h VAL 31 N 0.31 0.59 0.21 0.00 2.07 -1.52 -1.52 116.25 116.39 2kg5 h VAL 31 Ca -0.08 -1.34 -0.01 0.00 0.82 0.00 0.00 66.70 66.09 2kg5 h VAL 31 Cb 1.56 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 33.25 2kg5 h VAL 31 CO 0.17 0.26 -0.10 -0.25 0.02 0.00 0.00 177.57 177.67 2kg5 h TRP 32 N 0.00 -0.27 0.00 1.57 7.01 -1.45 -3.29 115.95 119.52 2kg5 h TRP 32 Ca -0.00 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 60.98 2kg5 h TRP 32 Cb 0.89 0.09 -0.00 0.00 -2.10 0.00 0.00 29.16 28.04 2kg5 h TRP 32 CO 0.00 0.03 -0.07 -0.07 -2.79 0.00 0.00 178.44 175.54 2kg5 h LEU 33 N -1.00 0.00 -2.70 0.65 4.07 -1.59 -2.68 115.31 112.07 2kg5 h LEU 33 Ca -0.03 0.00 0.01 0.00 0.08 0.00 0.00 57.88 57.94 2kg5 h LEU 33 Cb 0.41 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.15 2kg5 h LEU 33 CO 0.05 0.07 0.07 0.00 -1.08 0.00 0.00 178.44 177.54 2kg5 h ALA 34 N 1.93 1.21 0.00 1.53 0.00 -1.33 0.29 119.26 122.89 2kg5 h ALA 34 Ca -0.00 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2kg5 h ALA 34 Cb 0.50 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2kg5 h ALA 34 CO 0.01 -0.08 -0.36 0.00 0.00 0.00 0.00 179.25 178.82 2kg5 h THR 35 N 0.00 1.04 -0.30 0.00 1.03 -1.59 -2.85 112.91 110.25 2kg5 h THR 35 Ca 0.01 -1.35 0.00 0.00 -0.01 0.00 0.00 66.41 65.05 2kg5 h THR 35 Cb 0.14 1.78 0.00 0.00 -1.07 0.00 0.00 68.15 69.00 2kg5 h THR 35 CO -0.00 0.36 0.00 1.33 -0.01 0.00 0.00 175.52 177.20 2kg5 n VAL 36 N -3.79 1.63 -3.27 0.00 0.24 -0.05 -4.97 118.33 108.12 2kg5 n VAL 36 Ca -0.01 -1.43 -0.16 0.00 -2.04 0.00 0.00 64.34 60.69 2kg5 n VAL 36 Cb 0.44 0.13 0.07 0.00 -1.47 0.00 0.00 33.84 33.01 2kg5 n VAL 36 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2kg5 n HIS 37 N -0.00 -2.04 -1.99 6.34 8.25 -0.93 -4.92 115.22 119.92 2kg5 n HIS 37 Ca 0.16 0.80 0.01 0.00 -0.26 0.00 0.00 57.72 58.43 2kg5 n HIS 37 Cb 0.65 -4.42 0.01 0.00 1.12 0.00 0.00 29.99 27.35 2kg5 n HIS 37 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2kg5 n LEU 38 N -3.83 0.23 0.20 2.41 4.77 -0.34 -4.85 117.00 115.58 2kg5 n LEU 38 Ca -0.13 -1.22 0.18 0.00 -0.03 0.00 0.00 56.01 54.81 2kg5 n LEU 38 Cb 0.60 -0.03 0.83 0.00 -2.33 0.00 0.00 43.42 42.49 2kg5 n LEU 38 CO 0.51 0.30 1.15 1.05 -1.33 0.00 0.00 177.39 179.08 2kg5 h GLU 39 N 0.10 0.00 -0.01 3.23 -0.00 -1.77 0.47 114.58 116.60 2kg5 h GLU 39 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.34 2kg5 h GLU 39 Cb 1.42 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 30.17 2kg5 h GLU 39 CO 0.01 0.00 0.01 -0.56 -0.00 0.00 0.00 179.01 178.47 2kg5 h GLN 40 N 0.00 0.00 0.00 1.06 3.07 -1.89 0.12 115.11 117.46 2kg5 h GLN 40 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.84 2kg5 h GLN 40 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.13 2kg5 h GLN 40 CO -0.00 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.58 2kg5 n TYR 41 N -4.01 0.00 0.27 0.06 4.01 0.16 -3.13 117.16 114.52 2kg5 n TYR 41 Ca -0.03 0.00 0.15 0.00 -0.16 0.00 0.00 57.90 57.86 2kg5 n TYR 41 Cb 0.09 -0.38 0.88 0.00 -0.31 0.00 0.00 39.34 39.62 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 2.88 1.62 0.25 -0.72 0.00 -0.91 -2.71 119.26 119.67 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 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2kg5 h ALA 42 CO 0.00 -0.07 -0.13 0.22 0.00 0.00 0.00 179.25 179.27 2kg5 h ASP 43 N 0.00 -0.31 -0.67 0.00 3.58 -1.75 0.01 116.42 117.28 2kg5 h ASP 43 Ca 0.02 0.01 0.15 0.00 0.42 0.00 0.00 57.03 57.63 2kg5 h ASP 43 Cb 0.11 0.08 -0.04 0.00 1.72 0.00 0.00 39.33 41.21 2kg5 h ASP 43 CO -0.00 -0.21 0.46 0.00 -2.88 0.00 0.00 179.24 176.61 2kg5 h THR 44 N -0.35 0.77 0.24 2.25 1.03 -1.80 -1.77 112.91 113.28 2kg5 h THR 44 Ca -0.03 -0.09 -0.01 0.00 -0.01 0.00 0.00 66.41 66.27 2kg5 h THR 44 Cb 0.27 0.49 0.00 0.00 -1.07 0.00 0.00 68.15 67.84 2kg5 h THR 44 CO 0.05 0.05 -0.12 -0.26 -0.01 0.00 0.00 175.52 175.23 2kg5 h PHE 45 N 0.25 -0.30 -0.50 0.00 -1.00 -1.30 -2.24 116.94 111.85 2kg5 h PHE 45 Ca 0.33 -0.01 0.04 0.00 2.81 0.00 0.00 57.97 61.14 2kg5 h PHE 45 Cb 0.92 0.10 -0.04 0.00 3.61 0.00 0.00 35.95 40.54 2kg5 h PHE 45 CO -0.00 -0.04 0.26 0.00 -1.61 0.00 0.00 178.31 176.92 2kg5 h ARG 46 N -0.54 0.49 0.00 1.51 3.08 -0.19 0.25 114.38 118.97 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 0.40 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.34 2kg5 h ARG 46 CO 0.06 0.32 0.00 -0.09 -1.07 0.00 0.00 179.97 179.19 2kg5 h ARG 47 N 0.50 0.00 -0.01 0.04 9.65 -1.31 0.25 114.38 123.50 2kg5 h ARG 47 Ca 0.22 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.10 2kg5 h ARG 47 Cb 0.12 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.70 2kg5 h ARG 47 CO -0.15 0.00 -0.13 1.58 2.80 0.00 0.00 179.97 184.07 2kg5 n HIS 48 N -2.50 0.00 -0.12 2.20 -0.00 0.05 -4.89 115.22 109.95 2kg5 n HIS 48 Ca -0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.17 2kg5 n HIS 48 Cb 0.12 -0.14 0.00 0.00 -0.12 0.00 0.00 29.99 29.84 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 1.27 0.93 2.50 1.57 0.00 0.07 -5.05 105.19 106.49 2kg5 n GLY 49 Ca 0.15 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 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 0.90 -0.02 0.99 2.34 -1.04 -4.96 118.68 116.89 2kg5 s LEU 50 Ca 0.00 -1.86 0.19 0.00 0.06 0.00 0.00 54.13 52.52 2kg5 s LEU 50 Cb 0.00 -0.41 0.59 0.00 -0.56 0.00 0.00 46.19 45.81 2kg5 s LEU 50 CO 0.00 -0.36 1.49 0.00 -1.06 0.00 0.00 176.35 176.43 2kg5 n ALA 51 N 4.49 2.52 -2.94 1.48 0.00 -1.26 -2.92 120.51 121.88 2kg5 n ALA 51 Ca 0.05 -1.20 -0.10 0.00 0.00 0.00 0.00 53.44 52.18 2kg5 n ALA 51 Cb 0.39 -0.96 -0.09 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 -1.26 0.10 0.57 0.00 -4.23 -1.26 -0.01 115.64 109.56 2kg5 s THR 52 Ca 0.44 -0.86 0.26 0.00 -1.18 0.00 0.00 61.69 60.36 2kg5 s THR 52 Cb 0.24 -0.68 0.35 0.00 1.34 0.00 0.00 72.50 73.75 2kg5 s THR 52 CO 0.28 -0.47 2.13 0.00 -0.54 0.00 0.00 174.62 176.02 2kg5 h ALA 53 N 3.90 1.87 0.00 3.99 0.00 -1.70 0.94 119.26 128.25 2kg5 h ALA 53 Ca -0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2kg5 h ALA 53 Cb 1.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2kg5 h ALA 53 CO 0.45 -0.23 0.00 0.78 0.00 0.00 0.00 179.25 180.25 2kg5 h GLY 54 N 0.00 0.00 1.96 0.00 0.00 -1.71 -3.12 103.07 100.20 2kg5 h GLY 54 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 2kg5 h GLY 54 CO -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 176.54 176.47 2kg5 h ALA 55 N 2.27 0.96 0.09 3.60 0.00 -1.09 -3.26 119.26 121.83 2kg5 h ALA 55 Ca 0.00 -0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.62 2kg5 h ALA 55 Cb 0.80 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.59 2kg5 h ALA 55 CO 0.00 0.04 -1.15 0.00 0.00 0.00 0.00 179.25 178.15 2kg5 h ALA 56 N 1.97 0.18 -3.98 0.00 0.00 -1.52 -3.46 119.26 112.45 2kg5 h ALA 56 Ca -0.00 -0.82 -0.20 0.00 0.00 0.00 0.00 54.91 53.89 2kg5 h ALA 56 Cb 1.03 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2kg5 h ALA 56 CO 0.00 0.90 -0.26 -2.13 0.00 0.00 0.00 179.25 177.76 2kg5 n ARG 57 N -3.62 -2.34 -1.46 0.00 0.63 -1.23 -2.80 116.66 105.84 2kg5 n ARG 57 Ca -0.08 0.50 0.00 0.00 -0.92 0.00 0.00 57.85 57.34 2kg5 n ARG 57 Cb 0.96 -5.07 0.00 0.00 0.45 0.00 0.00 32.46 28.80 2kg5 n ARG 57 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2kg5 n GLY 58 N -0.74 -0.28 2.27 5.14 0.00 -1.26 -5.06 105.19 105.27 2kg5 n GLY 58 Ca -0.12 -0.21 -0.19 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.96 0.00 -4.40 0.99 4.77 -1.12 -5.04 117.00 111.23 2kg5 n LEU 59 Ca 0.00 -0.55 -0.23 0.00 -0.03 0.00 0.00 56.01 55.19 2kg5 n LEU 59 Cb 0.47 -0.68 -0.11 0.00 -2.33 0.00 0.00 43.42 40.78 2kg5 n LEU 59 CO 0.00 -2.39 -0.49 -0.83 -1.33 0.00 0.00 177.39 172.35 2kg5 s GLY 60 N -2.51 1.63 0.26 -0.72 0.00 -1.26 -5.03 107.32 99.69 2kg5 s GLY 60 Ca 0.42 -1.66 -0.03 0.00 0.00 0.00 0.00 44.72 43.45 2kg5 s GLY 60 CO 0.35 -1.72 1.88 0.45 0.00 0.00 0.00 173.10 174.06 2kg5 h HIS 61 N 2.88 1.19 0.00 1.90 3.86 -1.97 0.07 115.15 123.09 2kg5 h HIS 61 Ca -0.42 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 58.78 2kg5 h HIS 61 Cb 1.22 -0.39 -0.00 0.00 1.06 0.00 0.00 27.41 29.30 2kg5 h HIS 61 CO 0.72 0.63 -0.16 1.49 0.86 0.00 0.00 177.93 181.47 2kg5 h GLU 62 N 1.18 0.00 0.11 2.45 4.81 -2.01 -2.79 114.58 118.34 2kg5 h GLU 62 Ca 0.42 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 59.38 2kg5 h GLU 62 Cb 0.13 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.53 2kg5 h GLU 62 CO -0.16 0.16 -1.20 0.93 -0.73 0.00 0.00 179.01 178.01 2kg5 h GLU 63 N 0.00 0.39 0.00 1.92 4.39 -1.42 -3.23 114.58 116.63 2kg5 h GLU 63 Ca -0.00 -0.57 -0.04 0.00 0.34 0.00 0.00 59.36 59.09 2kg5 h GLU 63 Cb 0.54 0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.38 2kg5 h GLU 63 CO 0.02 1.24 -0.18 -0.07 -1.16 0.00 0.00 179.01 178.87 2kg5 h LEU 64 N 0.15 0.00 -0.49 1.33 4.07 -1.05 -2.47 115.31 116.85 2kg5 h LEU 64 Ca -0.14 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.77 2kg5 h LEU 64 Cb 1.89 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.61 2kg5 h LEU 64 CO 0.21 0.18 0.13 0.11 -1.08 0.00 0.00 178.44 177.99 2kg5 h LYS 65 N 0.00 0.77 0.00 1.13 1.57 -1.54 -2.45 116.57 116.05 2kg5 h LYS 65 Ca -0.00 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 2kg5 h LYS 65 Cb 0.48 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.69 2kg5 h LYS 65 CO 0.02 0.74 -0.05 1.04 -0.57 0.00 0.00 179.45 180.63 2kg5 n GLN 66 N -4.49 0.20 0.24 3.15 6.02 -1.07 -3.26 117.38 118.17 2kg5 n GLN 66 Ca 0.01 0.15 0.12 0.00 -0.01 0.00 0.00 57.00 57.28 2kg5 n GLN 66 Cb 0.21 -1.72 0.51 0.00 1.02 0.00 0.00 30.24 30.26 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 -0.99 -3.46 115.31 115.32 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 0.15 0.00 0.61 0.09 0.00 0.00 178.44 179.29 2kg5 n GLY 68 N 0.16 1.79 3.61 0.83 0.00 -1.19 -4.92 105.19 105.47 2kg5 n GLY 68 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 4.57 0.00 -0.61 1.01 -1.07 -4.95 121.20 118.14 2kg5 s ILE 69 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.54 2kg5 s ILE 69 Cb 0.00 -3.04 0.00 0.00 0.01 0.00 0.00 42.46 39.43 2kg5 s ILE 69 CO 0.00 0.48 0.20 -1.54 0.00 0.00 0.00 174.94 174.08 2kg5 n SER 70 N 3.42 0.39 -4.40 3.58 3.41 -1.26 -4.41 113.62 114.34 2kg5 n SER 70 Ca -0.17 -0.69 -0.44 0.00 -0.26 0.00 0.00 58.87 57.31 2kg5 n SER 70 Cb 0.52 0.52 -0.04 0.00 -0.26 0.00 0.00 64.21 64.95 2kg5 n SER 70 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kg5 s ALA 71 N -0.52 3.34 0.28 7.33 0.00 -1.26 -4.91 121.76 126.03 2kg5 s ALA 71 Ca 0.00 -2.21 0.02 0.00 0.00 0.00 0.00 51.96 49.77 2kg5 s ALA 71 Cb 0.00 -3.69 0.64 0.00 0.00 0.00 0.00 23.12 20.07 2kg5 s ALA 71 CO 0.00 -2.55 1.76 1.15 0.00 0.00 0.00 175.76 176.12 2kg5 h THR 72 N 5.89 0.69 -0.63 0.00 2.02 -1.99 0.11 112.91 118.99 2kg5 h THR 72 Ca -0.23 -0.22 0.06 0.00 0.77 0.00 0.00 66.41 66.78 2kg5 h THR 72 Cb 1.07 -0.02 -0.04 0.00 -1.74 0.00 0.00 68.15 67.43 2kg5 h THR 72 CO 1.11 0.12 0.41 1.23 0.37 0.00 0.00 175.52 178.77 2kg5 h GLY 73 N 0.65 0.79 1.14 2.16 0.00 -1.99 -1.45 103.07 104.37 2kg5 h GLY 73 Ca 0.52 -0.26 -0.29 0.00 0.00 0.00 0.00 47.33 47.31 2kg5 h GLY 73 CO -0.39 0.20 -1.21 0.45 0.00 0.00 0.00 176.54 175.58 2kg5 h HIS 74 N 0.64 0.93 0.22 5.60 -0.00 -1.27 -2.98 115.15 118.29 2kg5 h HIS 74 Ca 0.27 -0.62 0.00 0.00 -0.00 0.00 0.00 60.37 60.02 2kg5 h HIS 74 Cb 0.23 -0.06 -0.02 0.00 -0.00 0.00 0.00 27.41 27.56 2kg5 h HIS 74 CO -0.00 1.46 -0.22 -0.09 -0.00 0.00 0.00 177.93 179.09 2kg5 h ARG 75 N 0.14 -0.45 0.00 2.45 2.43 -0.68 -0.92 114.38 117.35 2kg5 h ARG 75 Ca -0.19 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 2kg5 h ARG 75 Cb 1.91 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 31.56 2kg5 h ARG 75 CO 0.23 -0.30 0.00 1.63 -1.51 0.00 0.00 179.97 180.02 2kg5 n LYS 76 N -5.34 0.16 0.15 0.20 5.02 -0.59 -1.51 118.16 116.24 2kg5 n LYS 76 Ca -0.08 0.47 0.12 0.00 -2.02 0.00 0.00 58.31 56.80 2kg5 n LYS 76 Cb 0.25 -1.85 0.20 0.00 -0.02 0.00 0.00 35.03 33.61 2kg5 n LYS 76 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 2kg5 h ARG 77 N 0.00 0.00 0.00 1.97 2.43 -1.02 -3.06 114.38 114.70 2kg5 h ARG 77 Ca 0.00 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 2kg5 h ARG 77 Cb 0.24 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 2kg5 h ARG 77 CO 0.00 0.00 -1.16 -0.89 -1.51 0.00 0.00 179.97 176.41 2kg5 n ILE 78 N -2.67 1.50 -0.15 1.20 5.41 -0.57 -4.29 119.36 119.79 2kg5 n ILE 78 Ca 0.04 0.07 0.16 0.00 1.00 0.00 0.00 62.75 64.02 2kg5 n ILE 78 Cb 0.49 -2.28 0.54 0.00 -0.71 0.00 0.00 39.64 37.68 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 0.33 -2.11 1.39 3.38 -1.60 0.32 115.31 116.02 2kg5 h LEU 79 Ca -0.10 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 2kg5 h LEU 79 Cb 1.04 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 2kg5 h LEU 79 CO -0.06 0.17 -0.08 -0.09 0.09 0.00 0.00 178.44 178.47 2kg5 h ARG 80 N 0.35 0.00 0.07 1.13 2.43 -1.76 -2.41 114.38 114.19 2kg5 h ARG 80 Ca 0.36 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 59.18 2kg5 h ARG 80 Cb 0.90 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.42 2kg5 h ARG 80 CO -0.10 0.08 -1.97 -0.11 -1.51 0.00 0.00 179.97 176.36 2kg5 n LEU 81 N -3.64 1.97 -0.18 3.80 7.94 0.10 -3.88 117.00 123.11 2kg5 n LEU 81 Ca -0.02 0.23 0.02 0.00 -1.11 0.00 0.00 56.01 55.13 2kg5 n LEU 81 Cb 0.19 -0.60 0.29 0.00 0.53 0.00 0.00 43.42 43.83 2kg5 n LEU 81 CO 0.29 0.70 1.22 0.25 -1.11 0.00 0.00 177.39 178.74 2kg5 h LEU 82 N 0.04 0.77 0.23 -1.96 6.46 -0.90 -2.84 115.31 117.11 2kg5 h LEU 82 Ca -0.40 -0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.33 2kg5 h LEU 82 Cb 2.03 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 41.78 2kg5 h LEU 82 CO 0.07 0.55 -0.11 1.56 -0.62 0.00 0.00 178.44 179.88 2kg5 h GLN 83 N 0.90 -0.30 -7.09 1.25 4.20 -1.60 -3.46 115.11 109.01 2kg5 h GLN 83 Ca 0.27 0.02 -0.60 0.00 0.06 0.00 0.00 58.65 58.40 2kg5 h GLN 83 Cb -0.04 0.07 -0.37 0.00 0.30 0.00 0.00 27.48 27.45 2kg5 h GLN 83 CO -0.07 -0.00 -0.87 -2.37 -0.67 0.00 0.00 178.83 174.85 2kg5 n THR 84 N -5.10 -0.04 -2.30 -0.54 5.66 -1.07 -4.54 114.28 106.34 2kg5 n THR 84 Ca -0.09 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.87 2kg5 n THR 84 Cb 0.23 -0.53 0.01 0.00 -1.55 0.00 0.00 70.33 68.49 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 -1.05 1.10 3.54 1.09 0.00 -1.26 -4.12 105.19 104.49 2kg5 n GLY 85 Ca 0.11 -0.19 -0.18 0.00 0.00 0.00 0.00 46.02 45.76 2kg5 n GLY 85 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2kg5 n THR 86 N -0.48 0.00 -0.01 2.61 -2.24 -1.26 -4.64 114.28 108.26 2kg5 n THR 86 Ca -0.20 -1.69 -0.01 0.00 -2.27 0.00 0.00 64.05 59.88 2kg5 n THR 86 Cb 0.80 -0.63 -0.02 0.00 -2.10 0.00 0.00 70.33 68.38 2kg5 n THR 86 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2kg5 n GLU 87 N -2.25 3.09 -2.70 -0.78 0.28 -1.26 -5.08 120.64 111.94 2kg5 n GLU 87 Ca 0.15 -0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 57.11 2kg5 n GLU 87 Cb 0.54 -1.07 -0.03 0.00 1.43 0.00 0.00 31.44 32.31 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 -2.04 -3.85 0.00 3.44 4.07 -1.26 -5.05 120.64 115.95 2kg5 n GLU 88 Ca -0.04 2.99 0.00 0.00 -0.06 0.00 0.00 57.16 60.05 2kg5 n GLU 88 Cb 0.53 -4.81 0.00 0.00 -0.06 0.00 0.00 31.44 27.09 2kg5 n GLU 88 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2kg5 n GLY 89 N 1.36 2.48 1.99 8.31 0.00 -1.26 -5.11 105.19 112.97 2kg5 n GLY 89 Ca -0.22 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2kg5 n GLY 89 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kg5 n SER 90 N 0.00 -0.08 -4.26 1.61 7.64 -1.26 -5.14 113.62 112.13 2kg5 n SER 90 Ca 0.00 0.02 -0.23 0.00 1.01 0.00 0.00 58.87 59.67 2kg5 n SER 90 Cb 0.00 0.56 -0.12 0.00 -1.01 0.00 0.00 64.21 63.64 2kg5 n SER 90 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2kg5 s LEU 91 N -5.03 2.29 0.26 -3.43 2.01 -1.26 -5.15 118.68 108.36 2kg5 s LEU 91 Ca 0.00 -0.66 0.07 0.00 0.01 0.00 0.00 54.13 53.54 2kg5 s LEU 91 Cb 0.00 -0.82 -0.03 0.00 0.01 0.00 0.00 46.19 45.35 2kg5 s LEU 91 CO 0.00 0.04 0.25 -1.81 1.01 0.00 0.00 176.35 175.84 2kg5 s ASP 92 N -1.82 5.74 0.09 2.29 1.11 -1.26 -5.04 116.67 117.77 2kg5 s ASP 92 Ca 0.05 -0.18 -0.16 0.00 0.18 0.00 0.00 52.55 52.44 2kg5 s ASP 92 Cb -0.10 -1.50 -0.10 0.00 1.07 0.00 0.00 42.92 42.30 2kg5 s ASP 92 CO 0.04 -0.08 1.41 1.55 1.18 0.00 0.00 175.17 179.27 2kg5 h PRO 93 N 1.37 0.64 -5.35 8.23 0.13 -2.05 -3.49 132.00 131.48 2kg5 h PRO 93 Ca -0.49 -0.34 -0.00 0.00 -0.87 0.00 0.00 66.00 64.30 2kg5 h PRO 93 Cb 1.24 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2kg5 h PRO 93 CO 0.60 0.94 -1.00 1.17 -0.23 0.00 0.00 178.00 179.49 2kg5 n LYS 94 N -4.32 -2.97 -0.00 0.86 3.00 -1.26 -4.95 118.16 108.51 2kg5 n LYS 94 Ca -0.04 2.46 -0.12 0.00 -0.00 0.00 0.00 58.31 60.61 2kg5 n LYS 94 Cb 0.45 -4.66 -0.10 0.00 0.00 0.00 0.00 35.03 30.72 2kg5 n LYS 94 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2kg5 h SER 95 N 3.15 -0.06 -4.13 3.14 4.64 -2.07 -3.46 113.55 114.75 2kg5 h SER 95 Ca -0.00 -0.56 -0.42 0.00 -0.47 0.00 0.00 61.79 60.34 2kg5 h SER 95 Cb 0.18 0.02 -0.28 0.00 -0.31 0.00 0.00 62.40 62.00 2kg5 h SER 95 CO 0.08 0.57 -0.79 -1.81 -0.87 0.00 0.00 176.83 174.01 2kg5 s ASP 96 N -5.74 1.29 -0.37 4.97 1.01 -1.26 -5.06 116.67 111.50 2kg5 s ASP 96 Ca -0.15 -0.23 0.02 0.00 0.71 0.00 0.00 52.55 52.89 2kg5 s ASP 96 Cb 0.00 -0.13 0.29 0.00 1.01 0.00 0.00 42.92 44.09 2kg5 s ASP 96 CO 0.60 0.11 1.21 -1.54 0.21 0.00 0.00 175.17 175.76 2kg5 n SER 97 N 2.68 -1.66 -3.64 0.27 3.41 -1.26 -5.15 113.62 108.28 2kg5 n SER 97 Ca -0.14 -2.25 -0.08 0.00 -0.26 0.00 0.00 58.87 56.13 2kg5 n SER 97 Cb 0.56 1.14 -0.07 0.00 -0.26 0.00 0.00 64.21 65.58 2kg5 n SER 97 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kg5 s ALA 98 N 0.21 -2.00 -0.29 7.33 0.00 -1.26 -5.14 121.76 120.61 2kg5 s ALA 98 Ca 0.25 1.83 -0.15 0.00 0.00 0.00 0.00 51.96 53.89 2kg5 s ALA 98 Cb 0.24 -1.44 -0.03 0.00 0.00 0.00 0.00 23.12 21.89 2kg5 s ALA 98 CO -0.14 -0.22 0.38 1.41 0.00 0.00 0.00 175.76 177.19 2kg5 s MET 99 N 0.11 3.89 0.00 0.00 1.75 -1.26 -5.30 119.30 118.49 2kg5 s MET 99 Ca 0.03 -0.07 0.00 0.00 -1.25 0.00 0.00 55.69 54.40 2kg5 s MET 99 Cb -0.05 -3.70 0.00 0.00 2.84 0.00 0.00 34.83 33.92 2kg5 s MET 99 CO -0.07 -0.36 0.32 -1.91 -0.65 0.00 0.00 175.02 172.35