#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 3.52 -3.05 -0.41 0.00 -1.26 -5.03 117.12 110.89 2kg5 n MET 21 Ca 0.00 -4.20 -0.40 0.00 0.00 0.00 0.00 57.70 53.09 2kg5 n MET 21 Cb 0.00 -2.27 -0.05 0.00 0.00 0.00 0.00 33.22 30.89 2kg5 n MET 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kg5 s ALA 22 N -3.60 3.53 0.72 3.04 0.00 -1.26 -2.47 121.76 121.71 2kg5 s ALA 22 Ca 0.51 -0.17 -0.12 0.00 0.00 0.00 0.00 51.96 52.18 2kg5 s ALA 22 Cb 0.41 -3.04 0.03 0.00 0.00 0.00 0.00 23.12 20.52 2kg5 s ALA 22 CO -0.02 -0.56 1.08 0.00 0.00 0.00 0.00 175.76 176.25 2kg5 s ALA 23 N 1.93 2.47 1.18 0.00 0.00 -1.26 -5.01 121.76 121.07 2kg5 s ALA 23 Ca 0.32 0.25 -0.18 0.00 0.00 0.00 0.00 51.96 52.35 2kg5 s ALA 23 Cb -0.16 -3.24 0.27 0.00 0.00 0.00 0.00 23.12 19.99 2kg5 s ALA 23 CO 0.11 -1.44 1.11 -1.25 0.00 0.00 0.00 175.76 174.29 2kg5 s PRO 24 N -4.78 -1.02 -0.18 0.00 0.04 -1.26 -5.03 135.00 122.78 2kg5 s PRO 24 Ca 0.61 0.00 0.03 0.00 0.04 0.00 0.00 61.00 61.69 2kg5 s PRO 24 Cb -0.16 -1.61 -0.13 0.00 0.04 0.00 0.00 34.50 32.63 2kg5 s PRO 24 CO 0.52 -3.59 -0.13 0.00 0.04 0.00 0.00 177.00 173.84 2kg5 n GLN 25 N -4.69 0.63 -1.92 4.56 10.64 -1.26 -4.65 117.38 120.70 2kg5 n GLN 25 Ca 0.12 0.09 -0.39 0.00 -1.83 0.00 0.00 57.00 54.99 2kg5 n GLN 25 Cb 0.59 -1.37 -0.01 0.00 -0.86 0.00 0.00 30.24 28.59 2kg5 n GLN 25 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2kg5 n ASP 26 N -2.97 7.97 -4.20 2.61 8.00 -1.26 -3.32 116.55 123.38 2kg5 n ASP 26 Ca -0.31 -3.12 -0.34 0.00 0.71 0.00 0.00 54.79 51.73 2kg5 n ASP 26 Cb 0.87 -1.36 -0.15 0.00 -0.02 0.00 0.00 41.12 40.45 2kg5 n ASP 26 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2kg5 s LEU 27 N -2.02 2.41 0.17 0.64 2.96 -1.26 -5.06 118.68 116.52 2kg5 s LEU 27 Ca 0.55 -0.55 -0.33 0.00 -0.22 0.00 0.00 54.13 53.59 2kg5 s LEU 27 Cb 0.20 -1.57 -0.16 0.00 0.50 0.00 0.00 46.19 45.16 2kg5 s LEU 27 CO -0.10 0.01 1.11 -0.67 -1.32 0.00 0.00 176.35 175.38 2kg5 n ASP 28 N 4.60 1.12 0.34 3.68 -0.08 -1.26 -2.37 116.55 122.57 2kg5 n ASP 28 Ca -0.20 1.14 0.23 0.00 -1.51 0.00 0.00 54.79 54.45 2kg5 n ASP 28 Cb 0.50 -1.19 1.21 0.00 2.34 0.00 0.00 41.12 43.99 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 2.55 0.01 -0.03 5.18 6.09 -0.76 -1.15 117.51 129.42 2kg5 h ILE 29 Ca -0.43 0.00 -0.24 0.00 -1.37 0.00 0.00 64.86 62.83 2kg5 h ILE 29 Cb 1.35 0.99 0.01 0.00 0.47 0.00 0.00 36.82 39.64 2kg5 h ILE 29 CO 0.68 0.00 -0.94 0.00 -3.07 0.00 0.00 178.15 174.83 2kg5 h ALA 30 N 1.98 0.30 0.00 0.18 0.00 -1.85 -2.69 119.26 117.17 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 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2kg5 h ALA 30 CO -0.00 0.75 -0.32 0.28 0.00 0.00 0.00 179.25 179.96 2kg5 h VAL 31 N 0.33 0.68 0.05 0.00 2.07 -1.56 -1.39 116.25 116.43 2kg5 h VAL 31 Ca -0.09 -1.51 -0.00 0.00 0.82 0.00 0.00 66.70 65.92 2kg5 h VAL 31 Cb 1.57 2.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.34 2kg5 h VAL 31 CO 0.17 0.32 -0.02 -0.25 0.02 0.00 0.00 177.57 177.81 2kg5 h TRP 32 N 0.00 -0.06 0.00 1.57 7.01 -1.46 -3.30 115.95 119.72 2kg5 h TRP 32 Ca -0.00 -0.00 -0.05 0.00 2.11 0.00 0.00 58.89 60.94 2kg5 h TRP 32 Cb 0.97 0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 28.05 2kg5 h TRP 32 CO 0.00 0.58 -0.25 -0.07 -2.79 0.00 0.00 178.44 175.92 2kg5 h LEU 33 N -0.86 0.00 -2.25 0.65 3.38 -1.54 -2.75 115.31 111.94 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 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2kg5 h LEU 33 CO 0.01 0.25 0.00 0.00 0.09 0.00 0.00 178.44 178.79 2kg5 h ALA 34 N 1.75 1.00 0.00 1.53 0.00 -1.32 -0.81 119.26 121.41 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 0.75 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2kg5 h ALA 34 CO 0.03 0.00 -0.36 1.79 0.00 0.00 0.00 179.25 180.71 2kg5 h THR 35 N 0.00 1.03 -0.34 0.00 1.35 -1.57 -2.81 112.91 110.57 2kg5 h THR 35 Ca 0.00 -1.34 0.00 0.00 -0.55 0.00 0.00 66.41 64.52 2kg5 h THR 35 Cb 0.14 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 2kg5 h THR 35 CO 0.00 0.35 0.00 1.33 -0.25 0.00 0.00 175.52 176.95 2kg5 n VAL 36 N -3.78 1.62 -3.30 6.82 0.24 -0.60 -4.96 118.33 114.36 2kg5 n VAL 36 Ca -0.01 -1.39 -0.17 0.00 -2.04 0.00 0.00 64.34 60.73 2kg5 n VAL 36 Cb 0.44 0.15 0.07 0.00 -1.47 0.00 0.00 33.84 33.03 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 0.14 -2.13 -2.31 6.34 -0.00 -1.06 -4.92 115.22 111.28 2kg5 n HIS 37 Ca 0.17 0.80 0.02 0.00 -0.00 0.00 0.00 57.72 58.70 2kg5 n HIS 37 Cb 0.66 -4.33 0.01 0.00 -0.00 0.00 0.00 29.99 26.33 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 -3.91 0.54 0.22 0.27 4.77 -0.41 -4.87 117.00 113.61 2kg5 n LEU 38 Ca -0.08 -1.68 0.18 0.00 -0.03 0.00 0.00 56.01 54.41 2kg5 n LEU 38 Cb 0.58 0.00 0.85 0.00 -2.33 0.00 0.00 43.42 42.52 2kg5 n LEU 38 CO 0.51 0.51 1.15 1.05 -1.33 0.00 0.00 177.39 179.28 2kg5 h GLU 39 N 0.61 0.00 -0.10 3.23 4.11 -1.78 0.25 114.58 120.91 2kg5 h GLU 39 Ca -0.18 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.28 2kg5 h GLU 39 Cb 1.69 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.94 2kg5 h GLU 39 CO 0.04 0.00 0.13 -0.56 0.07 0.00 0.00 179.01 178.69 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 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.07 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 -3.72 0.38 0.27 0.06 4.01 0.08 -3.10 117.16 115.14 2kg5 n TYR 41 Ca -0.00 0.13 0.09 0.00 -0.16 0.00 0.00 57.90 57.96 2kg5 n TYR 41 Cb 0.23 -0.71 0.69 0.00 -0.31 0.00 0.00 39.34 39.24 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 2.60 1.86 0.19 -0.72 0.00 -0.63 -2.72 119.26 119.83 2kg5 h ALA 42 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2kg5 h ALA 42 Cb 0.45 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2kg5 h ALA 42 CO 0.00 0.02 -0.14 0.22 0.00 0.00 0.00 179.25 179.35 2kg5 h ASP 43 N 0.00 -0.36 -0.68 0.00 3.58 -1.72 0.81 116.42 118.05 2kg5 h ASP 43 Ca -0.00 0.02 0.16 0.00 0.42 0.00 0.00 57.03 57.63 2kg5 h ASP 43 Cb 0.03 0.11 -0.04 0.00 1.72 0.00 0.00 39.33 41.15 2kg5 h ASP 43 CO 0.00 -0.20 0.46 0.00 -2.88 0.00 0.00 179.24 176.62 2kg5 h THR 44 N -0.32 0.76 0.26 2.25 1.03 -1.79 -1.81 112.91 113.30 2kg5 h THR 44 Ca -0.03 -0.08 -0.01 0.00 -0.01 0.00 0.00 66.41 66.28 2kg5 h THR 44 Cb 0.26 0.50 0.00 0.00 -1.07 0.00 0.00 68.15 67.85 2kg5 h THR 44 CO 0.01 0.04 -0.13 -0.26 -0.01 0.00 0.00 175.52 175.18 2kg5 h PHE 45 N 0.24 -0.33 -0.55 0.00 -1.00 -1.16 -2.37 116.94 111.78 2kg5 h PHE 45 Ca 0.33 -0.01 0.06 0.00 2.81 0.00 0.00 57.97 61.16 2kg5 h PHE 45 Cb 0.95 0.11 -0.05 0.00 3.61 0.00 0.00 35.95 40.57 2kg5 h PHE 45 CO -0.00 -0.05 0.26 0.00 -1.61 0.00 0.00 178.31 176.92 2kg5 h ARG 46 N -0.58 0.49 0.00 1.51 3.08 -0.05 0.89 114.38 119.72 2kg5 h ARG 46 Ca -0.04 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2kg5 h ARG 46 Cb 0.42 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.36 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 -0.00 0.04 9.65 -1.33 0.07 114.38 123.31 2kg5 h ARG 47 Ca 0.25 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.13 2kg5 h ARG 47 Cb 0.19 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.77 2kg5 h ARG 47 CO -0.19 0.00 -0.15 1.58 2.80 0.00 0.00 179.97 184.01 2kg5 n HIS 48 N -2.47 0.00 -0.05 2.20 -0.00 0.29 -4.89 115.22 110.29 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 -0.21 0.00 0.00 -0.12 0.00 0.00 29.99 29.78 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 2.52 1.57 0.00 0.01 -5.06 105.19 106.52 2kg5 n GLY 49 Ca 0.13 -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 0.94 -0.01 0.99 2.34 -1.11 -4.96 118.68 116.87 2kg5 s LEU 50 Ca 0.00 -1.81 0.16 0.00 0.06 0.00 0.00 54.13 52.54 2kg5 s LEU 50 Cb 0.00 -0.43 0.49 0.00 -0.56 0.00 0.00 46.19 45.69 2kg5 s LEU 50 CO 0.00 -0.37 1.40 0.00 -1.06 0.00 0.00 176.35 176.33 2kg5 n ALA 51 N 4.55 2.50 -2.80 1.48 0.00 -1.26 -3.05 120.51 121.93 2kg5 n ALA 51 Ca 0.04 -0.99 -0.10 0.00 0.00 0.00 0.00 53.44 52.39 2kg5 n ALA 51 Cb 0.39 -0.97 -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 -1.36 0.12 0.52 0.00 -4.23 -1.26 -0.03 115.64 109.41 2kg5 s THR 52 Ca 0.37 -1.00 0.28 0.00 -1.18 0.00 0.00 61.69 60.15 2kg5 s THR 52 Cb 0.20 -0.84 0.32 0.00 1.34 0.00 0.00 72.50 73.52 2kg5 s THR 52 CO 0.24 -0.55 2.18 0.00 -0.54 0.00 0.00 174.62 175.94 2kg5 h ALA 53 N 3.70 1.47 0.00 3.99 0.00 -1.68 -0.80 119.26 125.94 2kg5 h ALA 53 Ca -0.32 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2kg5 h ALA 53 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2kg5 h ALA 53 CO 0.49 0.06 0.00 0.41 0.00 0.00 0.00 179.25 180.21 2kg5 n GLY 54 N -1.10 -1.62 0.93 0.00 0.00 -1.21 -1.84 105.19 100.35 2kg5 n GLY 54 Ca -0.03 0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.12 2kg5 n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kg5 n ALA 55 N -1.80 2.47 -0.26 4.61 0.00 -0.32 -4.17 120.51 121.04 2kg5 n ALA 55 Ca 0.05 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.81 2kg5 n ALA 55 Cb 0.39 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.01 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 1.27 1.72 0.11 0.00 0.00 -1.14 -4.70 120.51 117.77 2kg5 n ALA 56 Ca 0.14 -0.31 0.19 0.00 0.00 0.00 0.00 53.44 53.47 2kg5 n ALA 56 Cb 0.58 0.00 0.76 0.00 0.00 0.00 0.00 19.45 20.79 2kg5 n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kg5 h ARG 57 N 0.00 0.00 -0.01 0.00 3.08 -1.53 -0.08 114.38 115.84 2kg5 h ARG 57 Ca 0.00 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.81 2kg5 h ARG 57 Cb 0.13 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.19 2kg5 h ARG 57 CO 0.00 0.00 -0.96 0.78 -1.07 0.00 0.00 179.97 178.72 2kg5 h GLY 58 N 0.00 0.58 -3.63 0.04 0.00 -1.87 -3.46 103.07 94.73 2kg5 h GLY 58 Ca 0.17 -1.00 -0.59 0.00 0.00 0.00 0.00 47.33 45.92 2kg5 h GLY 58 CO -0.00 0.89 0.01 1.04 0.00 0.00 0.00 176.54 178.48 2kg5 n LEU 59 N -3.79 2.10 0.00 3.11 4.32 -0.05 -5.00 117.00 117.69 2kg5 n LEU 59 Ca -0.08 0.97 0.00 0.00 -0.02 0.00 0.00 56.01 56.88 2kg5 n LEU 59 Cb 0.84 -1.30 0.00 0.00 -1.62 0.00 0.00 43.42 41.34 2kg5 n LEU 59 CO 0.53 -1.90 0.00 0.61 -1.22 0.00 0.00 177.39 175.41 2kg5 n GLY 60 N 1.35 6.53 0.17 -0.72 0.00 -1.26 -5.01 105.19 106.25 2kg5 n GLY 60 Ca 0.10 -1.85 -0.07 0.00 0.00 0.00 0.00 46.02 44.21 2kg5 n GLY 60 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2kg5 h HIS 61 N 0.00 -0.30 -0.61 1.61 3.86 -1.98 -2.24 115.15 115.49 2kg5 h HIS 61 Ca 0.00 -0.01 0.18 0.00 -1.16 0.00 0.00 60.37 59.38 2kg5 h HIS 61 Cb 0.00 0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 2kg5 h HIS 61 CO 0.00 -0.09 0.49 1.49 0.86 0.00 0.00 177.93 180.68 2kg5 h GLU 62 N -1.05 0.00 0.10 2.45 4.22 -2.00 0.19 114.58 118.48 2kg5 h GLU 62 Ca -0.03 0.00 -0.26 0.00 0.08 0.00 0.00 59.36 59.14 2kg5 h GLU 62 Cb 0.34 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.59 2kg5 h GLU 62 CO 0.05 0.00 -1.17 1.49 -2.18 0.00 0.00 179.01 177.21 2kg5 h GLU 63 N 0.00 0.35 -0.10 1.92 4.57 -1.96 -3.26 114.58 116.10 2kg5 h GLU 63 Ca 0.29 -0.51 -0.09 0.00 -1.18 0.00 0.00 59.36 57.87 2kg5 h GLU 63 Cb 1.27 0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 30.02 2kg5 h GLU 63 CO -0.00 1.21 -0.36 -0.07 -1.18 0.00 0.00 179.01 178.60 2kg5 h LEU 64 N 0.14 0.20 -0.82 1.64 3.38 -0.03 -1.96 115.31 117.86 2kg5 h LEU 64 Ca -0.13 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 2kg5 h LEU 64 Cb 1.86 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 42.52 2kg5 h LEU 64 CO 0.20 0.56 0.36 0.11 0.09 0.00 0.00 178.44 179.75 2kg5 h LYS 65 N 0.17 1.21 0.00 1.13 1.57 -1.34 -2.04 116.57 117.27 2kg5 h LYS 65 Ca 0.02 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 2kg5 h LYS 65 Cb 0.72 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.83 2kg5 h LYS 65 CO 0.05 0.96 -0.22 1.04 -0.57 0.00 0.00 179.45 180.71 2kg5 n GLN 66 N -4.29 0.14 0.23 3.15 3.00 -1.10 -3.45 117.38 115.06 2kg5 n GLN 66 Ca 0.08 0.09 0.11 0.00 -0.01 0.00 0.00 57.00 57.26 2kg5 n GLN 66 Cb 0.17 -1.64 0.48 0.00 0.00 0.00 0.00 30.24 29.25 2kg5 n GLN 66 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 2kg5 h LEU 67 N 0.00 0.00 0.00 1.08 3.38 -0.61 -3.46 115.31 115.70 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 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2kg5 h LEU 67 CO 0.00 0.19 0.00 0.61 0.09 0.00 0.00 178.44 179.33 2kg5 n GLY 68 N 0.17 1.90 3.31 0.83 0.00 -1.19 -5.03 105.19 105.17 2kg5 n GLY 68 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 4.68 -0.13 -0.61 1.01 -1.15 -4.89 121.20 118.11 2kg5 s ILE 69 Ca 0.00 -1.33 0.19 0.00 0.00 0.00 0.00 60.65 59.51 2kg5 s ILE 69 Cb 0.00 -3.87 -0.17 0.00 0.01 0.00 0.00 42.46 38.42 2kg5 s ILE 69 CO 0.00 -0.59 0.67 -1.20 0.00 0.00 0.00 174.94 173.82 2kg5 n SER 70 N 5.05 0.55 -4.55 3.58 7.64 -1.26 -4.53 113.62 120.10 2kg5 n SER 70 Ca -0.11 0.24 -0.34 0.00 1.01 0.00 0.00 58.87 59.66 2kg5 n SER 70 Cb 0.43 0.71 -0.04 0.00 -1.01 0.00 0.00 64.21 64.29 2kg5 n SER 70 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kg5 s ALA 71 N -3.05 2.02 0.17 -0.43 0.00 -1.26 -4.85 121.76 114.36 2kg5 s ALA 71 Ca -0.05 -1.08 -0.18 0.00 0.00 0.00 0.00 51.96 50.66 2kg5 s ALA 71 Cb 0.09 -4.41 0.09 0.00 0.00 0.00 0.00 23.12 18.90 2kg5 s ALA 71 CO 0.83 -4.22 1.66 1.15 0.00 0.00 0.00 175.76 175.18 2kg5 h THR 72 N 6.99 0.54 -0.17 0.00 2.02 -2.00 0.18 112.91 120.46 2kg5 h THR 72 Ca -0.11 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.12 2kg5 h THR 72 Cb 1.09 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 2kg5 h THR 72 CO 1.23 0.00 0.17 1.23 0.37 0.00 0.00 175.52 178.52 2kg5 h GLY 73 N -0.05 0.00 0.32 2.16 0.00 -1.99 -1.62 103.07 101.88 2kg5 h GLY 73 Ca 0.19 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.38 2kg5 h GLY 73 CO -0.43 0.00 -0.71 0.45 0.00 0.00 0.00 176.54 175.85 2kg5 h HIS 74 N 0.00 0.25 -0.19 5.60 -0.00 -1.17 -3.13 115.15 116.51 2kg5 h HIS 74 Ca 0.08 -0.18 0.04 0.00 -0.00 0.00 0.00 60.37 60.31 2kg5 h HIS 74 Cb 0.43 -0.01 -0.04 0.00 -0.00 0.00 0.00 27.41 27.79 2kg5 h HIS 74 CO 0.00 1.28 -0.07 -0.09 -0.00 0.00 0.00 177.93 179.04 2kg5 h ARG 75 N -0.67 -0.04 0.00 2.45 2.43 -0.35 0.35 114.38 118.55 2kg5 h ARG 75 Ca -0.16 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 2kg5 h ARG 75 Cb 1.39 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.95 2kg5 h ARG 75 CO 0.03 -0.03 0.00 0.87 -1.51 0.00 0.00 179.97 179.33 2kg5 h LYS 76 N -0.04 0.00 0.00 0.20 1.57 -1.47 -1.87 116.57 114.96 2kg5 h LYS 76 Ca 0.10 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.76 2kg5 h LYS 76 Cb 0.19 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 2kg5 h LYS 76 CO -0.22 0.00 -0.57 -0.09 -0.57 0.00 0.00 179.45 177.99 2kg5 h ARG 77 N 0.00 0.00 0.00 3.15 2.43 -0.87 -2.63 114.38 116.45 2kg5 h ARG 77 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2kg5 h ARG 77 Cb 0.26 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 2kg5 h ARG 77 CO 0.00 0.57 -0.14 0.82 -1.51 0.00 0.00 179.97 179.71 2kg5 h ILE 78 N 0.00 0.70 -0.67 1.20 5.03 -0.95 -3.31 117.51 119.51 2kg5 h ILE 78 Ca -0.01 -1.56 0.08 0.00 -0.12 0.00 0.00 64.86 63.25 2kg5 h ILE 78 Cb 1.28 1.37 -0.04 0.00 -3.03 0.00 0.00 36.82 36.40 2kg5 h ILE 78 CO 0.07 0.24 0.44 -0.07 -0.68 0.00 0.00 178.15 178.16 2kg5 h LEU 79 N -1.00 0.53 -2.44 1.44 3.38 -1.65 0.11 115.31 115.68 2kg5 h LEU 79 Ca -0.03 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2kg5 h LEU 79 Cb 0.50 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 2kg5 h LEU 79 CO -0.02 0.33 -0.03 0.03 0.09 0.00 0.00 178.44 178.85 2kg5 h ARG 80 N 0.60 0.00 0.00 1.13 2.47 -1.60 -1.72 114.38 115.25 2kg5 h ARG 80 Ca 0.30 0.00 -0.29 0.00 -1.26 0.00 0.00 59.98 58.73 2kg5 h ARG 80 Cb 0.40 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.67 2kg5 h ARG 80 CO -0.10 0.03 -1.77 -0.11 0.56 0.00 0.00 179.97 178.58 2kg5 n LEU 81 N -3.50 0.76 0.08 3.04 7.94 0.31 -4.08 117.00 121.55 2kg5 n LEU 81 Ca -0.02 0.36 -0.02 0.00 -1.11 0.00 0.00 56.01 55.22 2kg5 n LEU 81 Cb 0.13 0.20 0.24 0.00 0.53 0.00 0.00 43.42 44.53 2kg5 n LEU 81 CO 0.26 0.38 0.70 0.25 -1.11 0.00 0.00 177.39 177.87 2kg5 h LEU 82 N 0.00 0.30 -2.41 -1.96 6.46 -0.64 -2.43 115.31 114.63 2kg5 h LEU 82 Ca -0.31 -0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.34 2kg5 h LEU 82 Cb 2.01 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 41.86 2kg5 h LEU 82 CO 0.07 0.62 0.00 1.56 -0.62 0.00 0.00 178.44 180.07 2kg5 h GLN 83 N 0.25 0.00 -6.44 1.25 4.20 -1.57 -3.44 115.11 109.37 2kg5 h GLN 83 Ca 0.03 0.00 -0.60 0.00 0.06 0.00 0.00 58.65 58.14 2kg5 h GLN 83 Cb 0.72 0.00 0.14 0.00 0.30 0.00 0.00 27.48 28.64 2kg5 h GLN 83 CO 0.05 0.00 -0.19 -2.37 -0.67 0.00 0.00 178.83 175.65 2kg5 n THR 84 N -2.77 2.07 0.00 -0.54 5.66 -0.92 -3.93 114.28 113.85 2kg5 n THR 84 Ca -0.02 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.48 2kg5 n THR 84 Cb 0.06 -0.75 0.00 0.00 -1.55 0.00 0.00 70.33 68.08 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 1.57 3.40 0.04 1.09 0.00 -1.03 -4.69 105.19 105.56 2kg5 n GLY 85 Ca 0.11 -0.71 -0.05 0.00 0.00 0.00 0.00 46.02 45.37 2kg5 n GLY 85 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2kg5 n THR 86 N 0.00 0.56 -0.84 2.61 5.66 -1.25 -4.00 114.28 117.02 2kg5 n THR 86 Ca 0.00 -0.32 -0.30 0.00 -3.05 0.00 0.00 64.05 60.37 2kg5 n THR 86 Cb 0.00 -0.80 0.16 0.00 -1.55 0.00 0.00 70.33 68.14 2kg5 n THR 86 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 2kg5 s GLU 87 N -2.20 1.00 -0.30 1.09 4.04 -1.26 -5.04 118.70 116.03 2kg5 s GLU 87 Ca -0.06 1.30 -0.15 0.00 0.04 0.00 0.00 54.97 56.10 2kg5 s GLU 87 Cb 0.03 -1.74 0.18 0.00 0.02 0.00 0.00 34.13 32.61 2kg5 s GLU 87 CO 0.32 -2.56 1.14 -2.00 -1.84 0.00 0.00 175.26 170.32 2kg5 s GLU 88 N -4.70 0.07 0.00 -4.83 -6.30 -1.26 -4.99 118.70 96.69 2kg5 s GLU 88 Ca 0.66 0.10 0.00 0.00 -2.50 0.00 0.00 54.97 53.22 2kg5 s GLU 88 Cb -0.21 0.05 0.00 0.00 0.00 0.00 0.00 34.13 33.96 2kg5 s GLU 88 CO 0.58 -0.12 0.00 0.41 0.02 0.00 0.00 175.26 176.16 2kg5 n GLY 89 N 5.23 -1.30 2.83 -1.50 0.00 -1.26 -5.09 105.19 104.09 2kg5 n GLY 89 Ca 0.03 0.48 -0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 -7.48 -3.63 1.61 7.64 -1.26 -5.06 113.62 105.44 2kg5 n SER 90 Ca 0.00 1.21 -0.03 0.00 1.01 0.00 0.00 58.87 61.06 2kg5 n SER 90 Cb 0.00 -4.47 -0.04 0.00 -1.01 0.00 0.00 64.21 58.68 2kg5 n SER 90 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2kg5 s LEU 91 N -1.45 -0.07 0.27 -3.43 0.20 -1.26 -5.18 118.68 107.75 2kg5 s LEU 91 Ca -0.01 0.08 0.10 0.00 0.69 0.00 0.00 54.13 54.99 2kg5 s LEU 91 Cb 0.00 1.17 -0.04 0.00 -0.43 0.00 0.00 46.19 46.89 2kg5 s LEU 91 CO 0.60 -0.07 -0.01 1.51 -0.29 0.00 0.00 176.35 178.09 2kg5 s ASP 92 N -1.06 4.49 1.21 3.68 1.47 -1.26 -5.14 116.67 120.06 2kg5 s ASP 92 Ca 0.08 -0.67 -0.19 0.00 1.18 0.00 0.00 52.55 52.94 2kg5 s ASP 92 Cb -0.01 -0.81 0.29 0.00 -0.34 0.00 0.00 42.92 42.05 2kg5 s ASP 92 CO -0.07 -0.00 1.11 -2.16 0.68 0.00 0.00 175.17 174.73 2kg5 s PRO 93 N -3.67 -1.28 -0.01 2.11 0.04 -1.26 -5.09 135.00 125.84 2kg5 s PRO 93 Ca 0.31 -0.09 -0.07 0.00 0.04 0.00 0.00 61.00 61.20 2kg5 s PRO 93 Cb -0.06 -1.59 0.00 0.00 0.04 0.00 0.00 34.50 32.89 2kg5 s PRO 93 CO 0.20 -3.75 0.14 -1.59 0.04 0.00 0.00 177.00 172.03 2kg5 s LYS 94 N -5.42 0.44 0.30 4.56 0.00 -1.26 -5.17 119.74 113.19 2kg5 s LYS 94 Ca 0.71 -0.32 0.03 0.00 0.00 0.00 0.00 55.97 56.39 2kg5 s LYS 94 Cb -0.09 0.18 -0.03 0.00 0.00 0.00 0.00 37.83 37.89 2kg5 s LYS 94 CO 0.56 -0.10 0.28 -1.54 0.00 0.00 0.00 175.35 174.55 2kg5 s SER 95 N -1.19 1.16 0.21 0.03 1.04 -1.26 -5.18 113.70 108.51 2kg5 s SER 95 Ca -0.13 -1.61 -0.15 0.00 0.48 0.00 0.00 55.95 54.55 2kg5 s SER 95 Cb -0.07 0.53 0.01 0.00 0.10 0.00 0.00 66.02 66.60 2kg5 s SER 95 CO 0.01 -1.05 0.48 -0.62 0.98 0.00 0.00 173.24 173.04 2kg5 s ASP 96 N -3.29 -0.15 0.01 7.02 2.15 -1.26 -5.11 116.67 116.04 2kg5 s ASP 96 Ca 0.38 -0.71 0.00 0.00 0.43 0.00 0.00 52.55 52.65 2kg5 s ASP 96 Cb 0.03 0.57 0.00 0.00 -0.30 0.00 0.00 42.92 43.22 2kg5 s ASP 96 CO 0.22 -1.08 0.00 -0.24 -0.17 0.00 0.00 175.17 173.91 2kg5 n SER 97 N -0.34 0.04 -2.73 -0.34 2.88 -1.26 -4.98 113.62 106.88 2kg5 n SER 97 Ca -0.06 0.02 -0.14 0.00 -1.33 0.00 0.00 58.87 57.36 2kg5 n SER 97 Cb 0.62 -0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.09 2kg5 n SER 97 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kg5 n ALA 98 N -2.57 3.47 -0.25 -1.46 0.00 -1.26 -5.12 120.51 113.33 2kg5 n ALA 98 Ca 0.00 -3.41 0.00 0.00 0.00 0.00 0.00 53.44 50.03 2kg5 n ALA 98 Cb 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.58 2kg5 n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kg5 n MET 99 N -0.07 0.00 -0.37 0.00 0.00 -1.26 -5.37 117.12 110.05 2kg5 n MET 99 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.87 2kg5 n MET 99 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.97 2kg5 n MET 99 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36