#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kg5 s MET 21 N 0.00 2.40 0.00 -1.40 0.00 -1.26 -5.06 119.30 113.99 2kg5 s MET 21 Ca 0.00 -1.67 0.17 0.00 0.00 0.00 0.00 55.69 54.19 2kg5 s MET 21 Cb 0.00 -2.21 0.29 0.00 0.00 0.00 0.00 34.83 32.91 2kg5 s MET 21 CO 0.00 -0.17 1.10 0.00 0.00 0.00 0.00 175.02 175.95 2kg5 n ALA 22 N -1.43 2.70 -3.55 3.16 0.00 -1.26 -5.11 120.51 115.01 2kg5 n ALA 22 Ca 0.02 -1.80 -0.07 0.00 0.00 0.00 0.00 53.44 51.59 2kg5 n ALA 22 Cb 0.63 -0.61 -0.02 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 -1.95 -0.13 0.00 0.00 -1.26 -4.91 121.76 113.51 2kg5 s ALA 23 Ca 0.23 1.35 -0.29 0.00 0.00 0.00 0.00 51.96 53.24 2kg5 s ALA 23 Cb 0.26 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.37 2kg5 s ALA 23 CO -0.11 -0.60 1.55 -1.25 0.00 0.00 0.00 175.76 175.35 2kg5 s PRO 24 N -2.57 4.07 0.77 0.00 0.04 -1.26 -4.97 135.00 131.07 2kg5 s PRO 24 Ca 0.06 1.89 -0.11 0.00 0.04 0.00 0.00 61.00 62.89 2kg5 s PRO 24 Cb -0.01 -3.95 0.05 0.00 0.04 0.00 0.00 34.50 30.63 2kg5 s PRO 24 CO -0.06 -0.96 1.09 1.14 0.04 0.00 0.00 177.00 178.24 2kg5 s GLN 25 N 4.12 2.30 -1.64 4.56 -2.07 -1.26 -3.55 119.66 122.12 2kg5 s GLN 25 Ca 0.68 0.75 0.00 0.00 -1.82 0.00 0.00 55.36 54.97 2kg5 s GLN 25 Cb -0.28 -1.93 0.00 0.00 -1.09 0.00 0.00 33.01 29.71 2kg5 s GLN 25 CO 0.26 -1.50 0.00 -3.47 -1.32 0.00 0.00 175.29 169.26 2kg5 n ASP 26 N -3.37 -4.76 -4.57 12.60 2.03 -1.26 -4.93 116.55 112.30 2kg5 n ASP 26 Ca 0.07 0.25 -0.40 0.00 0.52 0.00 0.00 54.79 55.24 2kg5 n ASP 26 Cb 0.55 -4.14 -0.10 0.00 -0.72 0.00 0.00 41.12 36.72 2kg5 n ASP 26 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2kg5 s LEU 27 N -5.04 4.27 0.11 -2.67 2.96 -1.23 -5.02 118.68 112.06 2kg5 s LEU 27 Ca 0.00 -0.10 -0.35 0.00 -0.22 0.00 0.00 54.13 53.46 2kg5 s LEU 27 Cb 0.00 -2.27 -0.17 0.00 0.50 0.00 0.00 46.19 44.25 2kg5 s LEU 27 CO 0.00 -0.22 1.14 -0.67 -1.32 0.00 0.00 176.35 175.28 2kg5 n ASP 28 N 5.25 0.90 0.31 3.68 -0.08 -1.26 -1.85 116.55 123.50 2kg5 n ASP 28 Ca -0.11 1.14 0.19 0.00 -1.51 0.00 0.00 54.79 54.50 2kg5 n ASP 28 Cb 0.50 -1.12 1.00 0.00 2.34 0.00 0.00 41.12 43.85 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 2.80 0.14 -0.03 5.18 6.09 -0.78 0.18 117.51 131.09 2kg5 h ILE 29 Ca -0.45 0.00 -0.20 0.00 -1.37 0.00 0.00 64.86 62.84 2kg5 h ILE 29 Cb 1.37 0.87 -0.01 0.00 0.47 0.00 0.00 36.82 39.52 2kg5 h ILE 29 CO 0.70 0.00 -0.82 0.00 -3.07 0.00 0.00 178.15 174.96 2kg5 h ALA 30 N 1.76 0.53 0.00 0.18 0.00 -1.86 -2.92 119.26 116.96 2kg5 h ALA 30 Ca 0.02 -0.66 -0.07 0.00 0.00 0.00 0.00 54.91 54.19 2kg5 h ALA 30 Cb 0.30 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 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 0.20 0.71 0.13 0.00 2.07 -1.30 -1.45 116.25 116.61 2kg5 h VAL 31 Ca -0.05 -1.54 -0.01 0.00 0.82 0.00 0.00 66.70 65.93 2kg5 h VAL 31 Cb 1.42 2.01 0.00 0.00 -1.52 0.00 0.00 31.29 33.20 2kg5 h VAL 31 CO 0.13 0.33 -0.06 -0.25 0.02 0.00 0.00 177.57 177.74 2kg5 h TRP 32 N 0.00 -0.16 0.00 1.57 7.01 -1.45 -3.28 115.95 119.65 2kg5 h TRP 32 Ca -0.00 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 60.97 2kg5 h TRP 32 Cb 0.98 0.05 -0.00 0.00 -2.10 0.00 0.00 29.16 28.09 2kg5 h TRP 32 CO 0.00 0.30 -0.13 -0.07 -2.79 0.00 0.00 178.44 175.76 2kg5 h LEU 33 N -0.89 0.00 -1.66 0.65 3.38 -1.59 -2.72 115.31 112.48 2kg5 h LEU 33 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2kg5 h LEU 33 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2kg5 h LEU 33 CO 0.03 0.13 0.00 0.00 0.09 0.00 0.00 178.44 178.69 2kg5 h ALA 34 N 1.87 1.00 0.00 1.53 0.00 -1.31 0.33 119.26 122.67 2kg5 h ALA 34 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 2kg5 h ALA 34 Cb 0.65 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2kg5 h ALA 34 CO 0.02 0.00 -0.33 1.79 0.00 0.00 0.00 179.25 180.73 2kg5 h THR 35 N 0.00 1.08 -0.12 0.00 1.35 -1.58 -2.89 112.91 110.75 2kg5 h THR 35 Ca 0.00 -1.19 0.00 0.00 -0.55 0.00 0.00 66.41 64.67 2kg5 h THR 35 Cb 0.12 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 2kg5 h THR 35 CO 0.00 0.32 0.00 1.33 -0.25 0.00 0.00 175.52 176.92 2kg5 n VAL 36 N -3.92 1.63 -3.14 6.82 0.24 -0.65 -4.98 118.33 114.33 2kg5 n VAL 36 Ca -0.02 -1.66 -0.14 0.00 -2.04 0.00 0.00 64.34 60.48 2kg5 n VAL 36 Cb 0.39 0.06 0.06 0.00 -1.47 0.00 0.00 33.84 32.88 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 -0.66 -1.79 -1.17 6.34 -0.00 -1.03 -4.93 115.22 111.97 2kg5 n HIS 37 Ca 0.13 0.70 0.02 0.00 -0.00 0.00 0.00 57.72 58.56 2kg5 n HIS 37 Cb 0.57 -4.06 0.02 0.00 -0.00 0.00 0.00 29.99 26.52 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 -3.45 0.74 0.22 0.27 7.99 0.01 -4.80 117.00 117.98 2kg5 n LEU 38 Ca -0.11 -1.19 0.18 0.00 -0.01 0.00 0.00 56.01 54.88 2kg5 n LEU 38 Cb 0.59 -0.07 0.85 0.00 -0.11 0.00 0.00 43.42 44.67 2kg5 n LEU 38 CO 0.45 0.29 1.15 1.05 -1.51 0.00 0.00 177.39 178.82 2kg5 h GLU 39 N 0.00 0.00 -0.00 3.23 4.11 -1.76 0.87 114.58 121.02 2kg5 h GLU 39 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2kg5 h GLU 39 Cb 1.05 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 2kg5 h GLU 39 CO 0.00 0.00 0.02 -0.56 0.07 0.00 0.00 179.01 178.54 2kg5 h GLN 40 N 0.00 0.00 -0.00 1.06 3.07 -1.90 0.26 115.11 117.59 2kg5 h GLN 40 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.82 2kg5 h GLN 40 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.18 2kg5 h GLN 40 CO -0.00 0.00 -0.15 0.66 0.09 0.00 0.00 178.83 179.43 2kg5 n TYR 41 N -3.15 0.00 0.34 0.06 4.01 0.30 -3.81 117.16 114.90 2kg5 n TYR 41 Ca -0.03 0.00 0.22 0.00 -0.16 0.00 0.00 57.90 57.93 2kg5 n TYR 41 Cb 0.09 -0.17 1.18 0.00 -0.31 0.00 0.00 39.34 40.13 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 3.62 1.06 0.14 -0.72 0.00 -0.62 -2.98 119.26 119.77 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 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2kg5 h ALA 42 CO 0.00 -0.02 -0.07 0.22 0.00 0.00 0.00 179.25 179.38 2kg5 h ASP 43 N 0.00 -0.16 -0.80 0.00 1.82 -1.77 -1.21 116.42 114.30 2kg5 h ASP 43 Ca 0.00 0.01 0.22 0.00 -0.39 0.00 0.00 57.03 56.86 2kg5 h ASP 43 Cb 0.05 0.04 -0.04 0.00 0.68 0.00 0.00 39.33 40.06 2kg5 h ASP 43 CO -0.00 -0.11 0.56 0.00 -1.61 0.00 0.00 179.24 178.09 2kg5 h THR 44 N -0.21 0.64 0.24 2.25 1.03 -1.83 -1.23 112.91 113.79 2kg5 h THR 44 Ca -0.02 -0.04 -0.01 0.00 -0.01 0.00 0.00 66.41 66.33 2kg5 h THR 44 Cb 0.15 0.51 0.00 0.00 -1.07 0.00 0.00 68.15 67.74 2kg5 h THR 44 CO 0.03 0.02 -0.12 -0.26 -0.01 0.00 0.00 175.52 175.19 2kg5 h PHE 45 N 0.12 -0.30 -0.58 0.00 -1.00 -1.42 -2.30 116.94 111.46 2kg5 h PHE 45 Ca 0.39 -0.01 0.03 0.00 2.81 0.00 0.00 57.97 61.19 2kg5 h PHE 45 Cb 1.37 0.10 -0.04 0.00 3.61 0.00 0.00 35.95 40.99 2kg5 h PHE 45 CO -0.00 -0.02 0.35 0.00 -1.61 0.00 0.00 178.31 177.02 2kg5 h ARG 46 N -0.56 0.67 0.00 1.51 3.08 -0.08 -0.16 114.38 118.83 2kg5 h ARG 46 Ca -0.03 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2kg5 h ARG 46 Cb 0.41 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2kg5 h ARG 46 CO 0.05 0.44 0.00 -0.09 -1.07 0.00 0.00 179.97 179.30 2kg5 h ARG 47 N 0.69 0.00 -0.00 0.04 9.65 -1.30 0.17 114.38 123.62 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 0.03 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.61 2kg5 h ARG 47 CO -0.10 0.00 -0.17 1.58 2.80 0.00 0.00 179.97 184.08 2kg5 n HIS 48 N -2.50 0.00 -0.09 2.20 -0.00 -0.10 -4.90 115.22 109.84 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 -0.19 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 1.32 0.95 2.52 1.57 0.00 0.04 -5.06 105.19 106.54 2kg5 n GLY 49 Ca 0.13 -0.06 -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 1.03 -0.06 0.99 2.34 -1.07 -4.96 118.68 116.95 2kg5 s LEU 50 Ca 0.00 -1.90 0.20 0.00 0.06 0.00 0.00 54.13 52.50 2kg5 s LEU 50 Cb 0.00 -0.45 0.69 0.00 -0.56 0.00 0.00 46.19 45.87 2kg5 s LEU 50 CO 0.00 -0.35 1.59 0.00 -1.06 0.00 0.00 176.35 176.52 2kg5 n ALA 51 N 4.44 2.75 -2.99 1.48 0.00 -1.26 -3.09 120.51 121.85 2kg5 n ALA 51 Ca 0.05 -1.44 -0.11 0.00 0.00 0.00 0.00 53.44 51.95 2kg5 n ALA 51 Cb 0.39 -0.99 -0.10 0.00 0.00 0.00 0.00 19.45 18.75 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 -1.44 0.10 0.53 0.00 -4.23 -1.26 -0.07 115.64 109.27 2kg5 s THR 52 Ca 0.50 -0.82 0.38 0.00 -1.18 0.00 0.00 61.69 60.57 2kg5 s THR 52 Cb 0.29 -0.58 0.40 0.00 1.34 0.00 0.00 72.50 73.95 2kg5 s THR 52 CO 0.29 -0.45 2.25 0.00 -0.54 0.00 0.00 174.62 176.17 2kg5 h ALA 53 N 4.06 1.14 0.00 3.99 0.00 -1.63 -1.16 119.26 125.65 2kg5 h ALA 53 Ca -0.31 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 2kg5 h ALA 53 Cb 1.19 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2kg5 h ALA 53 CO 0.44 0.02 -0.41 0.78 0.00 0.00 0.00 179.25 180.08 2kg5 h GLY 54 N 0.45 0.00 -1.26 0.00 0.00 -1.83 -2.22 103.07 98.21 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 -0.15 0.00 0.00 0.00 0.00 176.54 176.40 2kg5 n ALA 55 N -2.16 2.82 0.05 3.60 0.00 -0.48 -4.16 120.51 120.18 2kg5 n ALA 55 Ca 0.02 -0.61 0.02 0.00 0.00 0.00 0.00 53.44 52.86 2kg5 n ALA 55 Cb 0.59 -0.89 -0.03 0.00 0.00 0.00 0.00 19.45 19.12 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 0.63 2.25 -1.46 0.00 0.00 -0.95 -4.70 120.51 116.29 2kg5 n ALA 56 Ca 0.13 -0.10 -0.47 0.00 0.00 0.00 0.00 53.44 53.00 2kg5 n ALA 56 Cb 0.50 -0.15 -0.08 0.00 0.00 0.00 0.00 19.45 19.73 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 -1.51 0.87 0.00 0.00 1.74 -0.84 -2.00 116.66 114.92 2kg5 n ARG 57 Ca -0.00 0.19 0.00 0.00 -0.77 0.00 0.00 57.85 57.27 2kg5 n ARG 57 Cb 0.10 -2.44 0.00 0.00 -1.02 0.00 0.00 32.46 29.10 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 6.49 2.61 3.59 -0.13 0.00 -1.26 -5.06 105.19 111.43 2kg5 n GLY 58 Ca 0.45 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 2.34 0.00 0.99 4.32 -0.85 -5.01 117.00 118.79 2kg5 n LEU 59 Ca 0.00 0.98 0.00 0.00 -0.02 0.00 0.00 56.01 56.97 2kg5 n LEU 59 Cb 0.00 -1.32 0.00 0.00 -1.62 0.00 0.00 43.42 40.48 2kg5 n LEU 59 CO 0.00 -1.76 0.00 0.61 -1.22 0.00 0.00 177.39 175.02 2kg5 n GLY 60 N 1.29 6.56 0.16 -0.72 0.00 -1.26 -4.98 105.19 106.24 2kg5 n GLY 60 Ca 0.10 -2.01 -0.07 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.28 -0.38 1.61 3.86 -1.96 -2.08 115.15 115.93 2kg5 h HIS 61 Ca 0.00 -0.01 0.11 0.00 -1.16 0.00 0.00 60.37 59.31 2kg5 h HIS 61 Cb 0.00 0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.55 2kg5 h HIS 61 CO 0.00 -0.03 0.30 1.49 0.86 0.00 0.00 177.93 180.55 2kg5 h GLU 62 N -1.03 0.00 0.07 2.45 4.22 -2.01 0.03 114.58 118.31 2kg5 h GLU 62 Ca -0.03 0.00 -0.26 0.00 0.08 0.00 0.00 59.36 59.15 2kg5 h GLU 62 Cb 0.37 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.63 2kg5 h GLU 62 CO 0.05 0.00 -1.10 1.49 -2.18 0.00 0.00 179.01 177.27 2kg5 h GLU 63 N 0.00 0.41 0.00 1.92 4.57 -1.96 -3.22 114.58 116.30 2kg5 h GLU 63 Ca 0.18 -0.53 -0.06 0.00 -1.18 0.00 0.00 59.36 57.77 2kg5 h GLU 63 Cb 0.79 0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.54 2kg5 h GLU 63 CO -0.00 1.20 -0.29 -0.07 -1.18 0.00 0.00 179.01 178.67 2kg5 h LEU 64 N 0.19 0.00 -0.68 1.64 3.38 -0.27 -2.62 115.31 116.95 2kg5 h LEU 64 Ca -0.12 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 2kg5 h LEU 64 Cb 1.77 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.49 2kg5 h LEU 64 CO 0.19 0.29 0.34 0.11 0.09 0.00 0.00 178.44 179.46 2kg5 h LYS 65 N 0.00 0.98 0.00 1.13 1.57 -1.39 -1.87 116.57 116.98 2kg5 h LYS 65 Ca -0.00 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 2kg5 h LYS 65 Cb 0.58 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.71 2kg5 h LYS 65 CO 0.04 0.76 -0.08 1.04 -0.57 0.00 0.00 179.45 180.65 2kg5 n GLN 66 N -4.46 0.01 0.22 3.15 6.02 -1.08 -3.33 117.38 117.91 2kg5 n GLN 66 Ca 0.05 0.01 0.10 0.00 -0.01 0.00 0.00 57.00 57.15 2kg5 n GLN 66 Cb 0.12 -1.51 0.45 0.00 1.02 0.00 0.00 30.24 30.32 2kg5 n GLN 66 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2kg5 h LEU 67 N 0.00 0.00 0.00 1.08 6.46 -0.97 -3.46 115.31 118.42 2kg5 h LEU 67 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2kg5 h LEU 67 Cb 0.51 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.44 2kg5 h LEU 67 CO 0.00 0.23 0.00 0.61 -0.62 0.00 0.00 178.44 178.66 2kg5 n GLY 68 N 0.16 1.19 3.62 3.75 0.00 -1.21 -4.86 105.19 107.83 2kg5 n GLY 68 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.50 5.19 -0.02 -0.61 1.01 -1.19 -4.94 121.20 119.14 2kg5 s ILE 69 Ca 0.00 0.12 0.11 0.00 0.00 0.00 0.00 60.65 60.89 2kg5 s ILE 69 Cb 0.00 -3.43 -0.17 0.00 0.01 0.00 0.00 42.46 38.87 2kg5 s ILE 69 CO 0.00 0.33 0.24 -0.24 0.00 0.00 0.00 174.94 175.27 2kg5 n SER 70 N 4.52 2.45 -4.47 3.58 2.88 -1.26 -4.55 113.62 116.77 2kg5 n SER 70 Ca -0.15 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 56.96 2kg5 n SER 70 Cb 0.52 1.49 -0.04 0.00 -0.75 0.00 0.00 64.21 65.43 2kg5 n SER 70 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kg5 s ALA 71 N -2.76 3.08 0.43 -1.46 0.00 -1.26 -4.89 121.76 114.90 2kg5 s ALA 71 Ca -0.04 -1.73 0.19 0.00 0.00 0.00 0.00 51.96 50.38 2kg5 s ALA 71 Cb 0.07 -3.88 1.12 0.00 0.00 0.00 0.00 23.12 20.43 2kg5 s ALA 71 CO 0.46 -2.78 1.86 1.15 0.00 0.00 0.00 175.76 176.45 2kg5 h THR 72 N 5.98 0.67 0.00 0.00 2.02 -2.00 0.25 112.91 119.83 2kg5 h THR 72 Ca -0.28 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 66.76 2kg5 h THR 72 Cb 1.07 0.27 -0.00 0.00 -1.74 0.00 0.00 68.15 67.75 2kg5 h THR 72 CO 1.18 0.07 -0.07 1.23 0.37 0.00 0.00 175.52 178.30 2kg5 h GLY 73 N 0.37 0.00 0.28 2.16 0.00 -2.00 -2.33 103.07 101.55 2kg5 h GLY 73 Ca 0.46 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.64 2kg5 h GLY 73 CO -0.16 0.00 -0.77 0.45 0.00 0.00 0.00 176.54 176.06 2kg5 h HIS 74 N 0.00 0.22 -0.45 5.60 -0.00 -0.92 -3.22 115.15 116.39 2kg5 h HIS 74 Ca -0.00 -0.16 0.09 0.00 -0.00 0.00 0.00 60.37 60.29 2kg5 h HIS 74 Cb 0.14 -0.01 -0.08 0.00 -0.00 0.00 0.00 27.41 27.46 2kg5 h HIS 74 CO 0.00 1.30 -0.05 -0.09 -0.00 0.00 0.00 177.93 179.09 2kg5 h ARG 75 N -0.69 0.06 0.00 2.45 2.43 -1.25 0.31 114.38 117.68 2kg5 h ARG 75 Ca -0.17 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 2kg5 h ARG 75 Cb 1.38 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.92 2kg5 h ARG 75 CO 0.01 0.04 0.00 0.87 -1.51 0.00 0.00 179.97 179.37 2kg5 h LYS 76 N 0.06 0.00 0.00 0.20 1.57 -1.58 -1.47 116.57 115.36 2kg5 h LYS 76 Ca 0.22 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.97 2kg5 h LYS 76 Cb 0.34 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 2kg5 h LYS 76 CO -0.42 0.00 -0.18 -0.09 -0.57 0.00 0.00 179.45 178.19 2kg5 h ARG 77 N 0.00 0.00 0.00 3.15 2.43 -0.41 -2.92 114.38 116.63 2kg5 h ARG 77 Ca 0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 2kg5 h ARG 77 Cb 0.27 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 2kg5 h ARG 77 CO 0.00 0.18 -0.39 0.82 -1.51 0.00 0.00 179.97 179.07 2kg5 h ILE 78 N 0.00 0.37 -0.92 1.20 1.08 -0.61 -3.35 117.51 115.29 2kg5 h ILE 78 Ca -0.00 -1.35 0.14 0.00 -0.39 0.00 0.00 64.86 63.25 2kg5 h ILE 78 Cb 1.09 0.77 -0.07 0.00 -3.07 0.00 0.00 36.82 35.53 2kg5 h ILE 78 CO 0.02 0.13 0.59 -0.07 -0.69 0.00 0.00 178.15 178.13 2kg5 h LEU 79 N -1.00 0.74 -2.73 1.44 3.38 -1.63 0.27 115.31 115.78 2kg5 h LEU 79 Ca -0.05 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2kg5 h LEU 79 Cb 0.52 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 2kg5 h LEU 79 CO -0.03 0.38 0.05 -0.09 0.09 0.00 0.00 178.44 178.83 2kg5 h ARG 80 N 0.78 0.00 0.02 1.13 2.43 -1.68 -1.42 114.38 115.65 2kg5 h ARG 80 Ca 0.46 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 59.29 2kg5 h ARG 80 Cb 0.64 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.14 2kg5 h ARG 80 CO -0.22 0.00 -2.04 -0.11 -1.51 0.00 0.00 179.97 176.09 2kg5 n LEU 81 N -3.30 1.21 -0.29 3.80 7.94 0.87 -4.05 117.00 123.19 2kg5 n LEU 81 Ca -0.03 0.20 0.01 0.00 -1.11 0.00 0.00 56.01 55.09 2kg5 n LEU 81 Cb 0.12 -0.11 0.21 0.00 0.53 0.00 0.00 43.42 44.17 2kg5 n LEU 81 CO 0.22 0.57 1.26 0.25 -1.11 0.00 0.00 177.39 178.58 2kg5 h LEU 82 N 0.01 0.95 -0.01 -1.96 6.46 -0.39 -2.68 115.31 117.69 2kg5 h LEU 82 Ca -0.42 -0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.33 2kg5 h LEU 82 Cb 2.07 -0.22 -0.00 0.00 -0.73 0.00 0.00 40.66 41.78 2kg5 h LEU 82 CO 0.05 0.66 0.00 1.56 -0.62 0.00 0.00 178.44 180.09 2kg5 h GLN 83 N 1.11 0.01 -7.03 1.25 4.20 -1.65 -3.46 115.11 109.54 2kg5 h GLN 83 Ca 0.34 -0.00 -0.58 0.00 0.06 0.00 0.00 58.65 58.47 2kg5 h GLN 83 Cb 0.00 -0.00 -0.35 0.00 0.30 0.00 0.00 27.48 27.43 2kg5 h GLN 83 CO -0.10 0.24 -0.85 -2.37 -0.67 0.00 0.00 178.83 175.08 2kg5 n THR 84 N -4.97 -0.07 0.07 -0.54 5.66 -1.01 -4.36 114.28 109.05 2kg5 n THR 84 Ca -0.08 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.92 2kg5 n THR 84 Cb 0.14 -0.55 0.00 0.00 -1.55 0.00 0.00 70.33 68.36 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 -1.01 2.56 1.09 0.00 -1.26 -5.03 105.19 100.50 2kg5 n GLY 85 Ca 0.11 0.18 -0.28 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.75 2.32 -2.77 2.61 5.66 -1.26 -4.91 114.28 113.18 2kg5 n THR 86 Ca 0.00 -5.17 -0.28 0.00 -3.05 0.00 0.00 64.05 55.55 2kg5 n THR 86 Cb 0.00 -2.13 -0.02 0.00 -1.55 0.00 0.00 70.33 66.63 2kg5 n THR 86 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 2kg5 n GLU 87 N 1.13 3.44 0.01 1.09 0.28 -1.26 -4.72 120.64 120.61 2kg5 n GLU 87 Ca 0.27 -4.72 0.00 0.00 -0.16 0.00 0.00 57.16 52.55 2kg5 n GLU 87 Cb 0.39 -2.26 0.00 0.00 1.43 0.00 0.00 31.44 31.00 2kg5 n GLU 87 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2kg5 n GLU 88 N -0.30 0.00 0.00 3.44 -0.58 -1.26 -5.09 120.64 116.85 2kg5 n GLU 88 Ca 0.35 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.09 2kg5 n GLU 88 Cb 0.45 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.32 2kg5 n GLU 88 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kg5 n GLY 89 N -1.05 1.48 2.83 0.62 0.00 -1.26 -4.86 105.19 102.95 2kg5 n GLY 89 Ca 0.00 0.27 -0.05 0.00 0.00 0.00 0.00 46.02 46.24 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 4.53 -7.87 -1.36 1.61 7.64 -1.26 -4.94 113.62 111.98 2kg5 n SER 90 Ca 0.00 0.94 -0.07 0.00 1.01 0.00 0.00 58.87 60.76 2kg5 n SER 90 Cb 0.00 -5.09 0.21 0.00 -1.01 0.00 0.00 64.21 58.31 2kg5 n SER 90 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kg5 n LEU 91 N 0.25 4.64 -3.15 -3.43 -0.00 -1.26 -4.97 117.00 109.07 2kg5 n LEU 91 Ca 0.05 -3.66 -0.06 0.00 -0.00 0.00 0.00 56.01 52.35 2kg5 n LEU 91 Cb 0.25 -0.67 0.00 0.00 -0.00 0.00 0.00 43.42 43.00 2kg5 n LEU 91 CO 0.45 1.15 0.20 -0.67 -0.00 0.00 0.00 177.39 178.52 2kg5 n ASP 92 N -1.03 -7.33 -4.56 1.45 2.03 -1.26 -4.82 116.55 101.03 2kg5 n ASP 92 Ca 0.37 -0.12 -0.28 0.00 0.52 0.00 0.00 54.79 55.27 2kg5 n ASP 92 Cb 1.15 -4.69 -0.05 0.00 -0.72 0.00 0.00 41.12 36.81 2kg5 n ASP 92 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2kg5 s PRO 93 N -3.22 2.57 -0.18 -0.67 0.04 -1.26 -4.89 135.00 127.39 2kg5 s PRO 93 Ca 0.05 -0.17 -0.10 0.00 0.04 0.00 0.00 61.00 60.82 2kg5 s PRO 93 Cb -0.01 -4.97 0.06 0.00 0.04 0.00 0.00 34.50 29.62 2kg5 s PRO 93 CO 0.78 -3.28 0.45 0.21 0.04 0.00 0.00 177.00 175.19 2kg5 s LYS 94 N 7.00 0.43 0.35 4.56 2.20 -1.26 -5.17 119.74 127.85 2kg5 s LYS 94 Ca 0.70 0.85 0.08 0.00 -0.36 0.00 0.00 55.97 57.24 2kg5 s LYS 94 Cb -0.07 0.00 -0.05 0.00 -1.51 0.00 0.00 37.83 36.20 2kg5 s LYS 94 CO 0.02 -0.16 0.09 -1.12 -0.36 0.00 0.00 175.35 173.82 2kg5 s SER 95 N 1.46 4.41 0.14 1.43 0.01 -1.26 -5.14 113.70 114.75 2kg5 s SER 95 Ca -0.09 -0.93 -0.13 0.00 1.31 0.00 0.00 55.95 56.11 2kg5 s SER 95 Cb -0.08 -0.60 0.05 0.00 0.21 0.00 0.00 66.02 65.60 2kg5 s SER 95 CO -0.14 -0.32 0.64 -0.90 0.41 0.00 0.00 173.24 172.94 2kg5 n ASP 96 N -1.08 -1.18 -3.39 2.44 5.75 -1.26 -5.20 116.55 112.64 2kg5 n ASP 96 Ca -0.03 -1.66 -0.03 0.00 -0.01 0.00 0.00 54.79 53.06 2kg5 n ASP 96 Cb 0.62 1.93 0.02 0.00 -1.03 0.00 0.00 41.12 42.66 2kg5 n ASP 96 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2kg5 s SER 97 N -2.53 0.01 -0.30 -1.12 1.04 -1.26 -5.17 113.70 104.37 2kg5 s SER 97 Ca 0.14 -0.64 -0.15 0.00 0.48 0.00 0.00 55.95 55.78 2kg5 s SER 97 Cb -0.02 0.47 0.16 0.00 0.10 0.00 0.00 66.02 66.73 2kg5 s SER 97 CO 0.04 -0.93 1.00 0.00 0.98 0.00 0.00 173.24 174.33 2kg5 s ALA 98 N -2.11 -2.69 -0.08 5.32 0.00 -1.26 -5.16 121.76 115.79 2kg5 s ALA 98 Ca 0.23 2.06 -0.00 0.00 0.00 0.00 0.00 51.96 54.25 2kg5 s ALA 98 Cb -0.03 -2.03 0.02 0.00 0.00 0.00 0.00 23.12 21.09 2kg5 s ALA 98 CO 0.05 -0.90 -0.05 1.41 0.00 0.00 0.00 175.76 176.26 2kg5 s MET 99 N 2.35 1.15 0.00 0.00 1.75 -1.26 -5.40 119.30 117.88 2kg5 s MET 99 Ca -0.03 -0.13 0.00 0.00 -1.25 0.00 0.00 55.69 54.28 2kg5 s MET 99 Cb -0.06 -1.26 0.00 0.00 2.84 0.00 0.00 34.83 36.35 2kg5 s MET 99 CO -0.17 -0.22 0.00 -0.85 -0.65 0.00 0.00 175.02 173.13