#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 1.16 0.38 -1.40 -1.94 -1.26 -5.08 119.30 111.15 2kg5 s MET 21 Ca 0.00 -0.80 0.00 0.00 -1.71 0.00 0.00 55.69 53.18 2kg5 s MET 21 Cb 0.00 -1.20 0.00 0.00 2.01 0.00 0.00 34.83 35.64 2kg5 s MET 21 CO 0.00 0.31 0.00 0.00 -0.01 0.00 0.00 175.02 175.32 2kg5 n ALA 22 N 2.01 -3.72 -2.30 3.03 0.00 -1.26 -4.86 120.51 113.41 2kg5 n ALA 22 Ca -0.17 0.52 -0.28 0.00 0.00 0.00 0.00 53.44 53.51 2kg5 n ALA 22 Cb 0.54 -1.32 -0.01 0.00 0.00 0.00 0.00 19.45 18.66 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 -2.56 3.43 0.40 0.00 0.00 -1.26 -5.06 121.76 116.72 2kg5 s ALA 23 Ca 0.00 -0.49 -0.25 0.00 0.00 0.00 0.00 51.96 51.22 2kg5 s ALA 23 Cb 0.00 -2.55 -0.08 0.00 0.00 0.00 0.00 23.12 20.48 2kg5 s ALA 23 CO 0.00 -0.23 1.19 -1.25 0.00 0.00 0.00 175.76 175.46 2kg5 s PRO 24 N -4.49 4.03 0.46 0.00 0.04 -1.26 -4.93 135.00 128.84 2kg5 s PRO 24 Ca 0.47 1.88 0.17 0.00 0.04 0.00 0.00 61.00 63.56 2kg5 s PRO 24 Cb -0.10 -2.68 1.08 0.00 0.04 0.00 0.00 34.50 32.84 2kg5 s PRO 24 CO 0.41 -0.35 2.00 -0.56 0.04 0.00 0.00 177.00 178.53 2kg5 h GLN 25 N 2.62 0.00 -1.94 4.56 3.07 -1.97 -2.95 115.11 118.50 2kg5 h GLN 25 Ca -0.49 0.00 -0.45 0.00 0.09 0.00 0.00 58.65 57.80 2kg5 h GLN 25 Cb 1.24 0.00 -0.16 0.00 0.08 0.00 0.00 27.48 28.63 2kg5 h GLN 25 CO 0.62 0.19 0.33 -3.47 0.09 0.00 0.00 178.83 176.59 2kg5 n ASP 26 N -4.15 6.38 -4.46 0.06 2.03 -1.26 -3.14 116.55 112.02 2kg5 n ASP 26 Ca -0.02 -3.13 -0.38 0.00 0.52 0.00 0.00 54.79 51.77 2kg5 n ASP 26 Cb 0.26 -1.23 -0.12 0.00 -0.72 0.00 0.00 41.12 39.31 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 -1.97 3.93 0.16 -2.67 2.96 -1.12 -5.03 118.68 114.94 2kg5 s LEU 27 Ca 0.56 -0.40 -0.33 0.00 -0.22 0.00 0.00 54.13 53.75 2kg5 s LEU 27 Cb 0.36 -1.99 -0.16 0.00 0.50 0.00 0.00 46.19 44.90 2kg5 s LEU 27 CO -0.18 -0.14 1.10 -0.67 -1.32 0.00 0.00 176.35 175.14 2kg5 n ASP 28 N 4.97 0.98 0.33 3.68 -0.08 -1.26 -1.77 116.55 123.40 2kg5 n ASP 28 Ca -0.14 1.14 0.21 0.00 -1.51 0.00 0.00 54.79 54.49 2kg5 n ASP 28 Cb 0.50 -1.16 1.11 0.00 2.34 0.00 0.00 41.12 43.90 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 2.54 0.06 -0.02 5.18 6.09 -0.82 -0.37 117.51 130.18 2kg5 h ILE 29 Ca -0.43 0.00 -0.21 0.00 -1.37 0.00 0.00 64.86 62.86 2kg5 h ILE 29 Cb 1.36 0.92 -0.00 0.00 0.47 0.00 0.00 36.82 39.57 2kg5 h ILE 29 CO 0.68 0.00 -0.87 0.00 -3.07 0.00 0.00 178.15 174.90 2kg5 h ALA 30 N 1.85 0.47 0.00 0.18 0.00 -1.84 -2.81 119.26 117.10 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 0.16 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2kg5 h ALA 30 CO -0.00 0.82 -0.33 0.28 0.00 0.00 0.00 179.25 180.02 2kg5 h VAL 31 N 0.21 0.70 0.08 0.00 2.07 -1.41 -1.56 116.25 116.35 2kg5 h VAL 31 Ca -0.06 -1.53 -0.00 0.00 0.82 0.00 0.00 66.70 65.93 2kg5 h VAL 31 Cb 1.48 2.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.26 2kg5 h VAL 31 CO 0.15 0.33 -0.04 -0.25 0.02 0.00 0.00 177.57 177.77 2kg5 h TRP 32 N 0.00 -0.11 0.00 1.57 7.01 -1.46 -3.30 115.95 119.66 2kg5 h TRP 32 Ca -0.00 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 60.96 2kg5 h TRP 32 Cb 0.98 0.03 -0.00 0.00 -2.10 0.00 0.00 29.16 28.07 2kg5 h TRP 32 CO 0.00 0.41 -0.14 -0.07 -2.79 0.00 0.00 178.44 175.84 2kg5 h LEU 33 N -0.91 0.00 -1.81 0.65 3.38 -1.57 -2.59 115.31 112.45 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 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2kg5 h LEU 33 CO 0.02 0.14 0.00 0.00 0.09 0.00 0.00 178.44 178.69 2kg5 h ALA 34 N 1.86 1.00 0.00 1.53 0.00 -1.35 -1.13 119.26 121.17 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 0.58 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2kg5 h ALA 34 CO 0.02 0.00 -0.32 1.79 0.00 0.00 0.00 179.25 180.74 2kg5 h THR 35 N 0.00 1.01 -0.23 0.00 1.35 -1.57 -2.79 112.91 110.68 2kg5 h THR 35 Ca 0.00 -1.17 0.00 0.00 -0.55 0.00 0.00 66.41 64.69 2kg5 h THR 35 Cb 0.11 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 2kg5 h THR 35 CO 0.00 0.31 0.00 1.33 -0.25 0.00 0.00 175.52 176.91 2kg5 n VAL 36 N -3.85 1.71 -3.33 6.82 0.24 -0.60 -4.96 118.33 114.36 2kg5 n VAL 36 Ca -0.01 -1.56 -0.18 0.00 -2.04 0.00 0.00 64.34 60.54 2kg5 n VAL 36 Cb 0.39 0.06 0.07 0.00 -1.47 0.00 0.00 33.84 32.89 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 -0.30 -2.21 -2.22 6.34 -0.00 -1.05 -4.92 115.22 110.87 2kg5 n HIS 37 Ca 0.16 0.81 0.03 0.00 -0.00 0.00 0.00 57.72 58.71 2kg5 n HIS 37 Cb 0.65 -4.32 0.03 0.00 -0.00 0.00 0.00 29.99 26.35 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 -4.00 0.78 0.24 0.27 4.77 -0.53 -4.85 117.00 113.68 2kg5 n LEU 38 Ca -0.05 -1.78 0.18 0.00 -0.03 0.00 0.00 56.01 54.33 2kg5 n LEU 38 Cb 0.57 -0.04 0.88 0.00 -2.33 0.00 0.00 43.42 42.50 2kg5 n LEU 38 CO 0.52 0.47 1.15 1.05 -1.33 0.00 0.00 177.39 179.25 2kg5 h GLU 39 N 0.60 0.00 -0.09 3.23 -0.00 -1.78 -0.11 114.58 116.43 2kg5 h GLU 39 Ca -0.13 0.00 0.03 0.00 -0.00 0.00 0.00 59.36 59.26 2kg5 h GLU 39 Cb 1.64 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 30.39 2kg5 h GLU 39 CO 0.06 0.00 0.12 -0.56 -0.00 0.00 0.00 179.01 178.63 2kg5 h GLN 40 N 0.00 0.00 0.00 1.06 3.07 -1.90 0.25 115.11 117.58 2kg5 h GLN 40 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.80 2kg5 h GLN 40 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.02 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 -3.69 0.00 0.26 0.06 4.01 -0.05 -3.07 117.16 114.66 2kg5 n TYR 41 Ca -0.01 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.82 2kg5 n TYR 41 Cb 0.22 -0.44 0.64 0.00 -0.31 0.00 0.00 39.34 39.45 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 2.79 1.88 0.24 -0.72 0.00 -0.67 -2.74 119.26 120.03 2kg5 h ALA 42 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2kg5 h ALA 42 Cb 0.31 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2kg5 h ALA 42 CO 0.00 0.05 -0.21 0.22 0.00 0.00 0.00 179.25 179.31 2kg5 h ASP 43 N 0.00 -0.57 -0.59 0.00 3.58 -1.74 0.14 116.42 117.25 2kg5 h ASP 43 Ca -0.00 0.04 0.12 0.00 0.42 0.00 0.00 57.03 57.61 2kg5 h ASP 43 Cb 0.07 0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.27 2kg5 h ASP 43 CO 0.01 -0.29 0.40 0.00 -2.88 0.00 0.00 179.24 176.48 2kg5 h THR 44 N -0.44 0.85 0.26 2.25 1.03 -1.79 -1.86 112.91 113.20 2kg5 h THR 44 Ca -0.03 -0.10 -0.01 0.00 -0.01 0.00 0.00 66.41 66.25 2kg5 h THR 44 Cb 0.37 0.51 0.00 0.00 -1.07 0.00 0.00 68.15 67.97 2kg5 h THR 44 CO -0.01 0.06 -0.12 -0.26 -0.01 0.00 0.00 175.52 175.17 2kg5 h PHE 45 N 0.30 -0.32 -0.55 0.00 -1.00 -1.15 -2.26 116.94 111.96 2kg5 h PHE 45 Ca 0.28 -0.01 0.05 0.00 2.81 0.00 0.00 57.97 61.10 2kg5 h PHE 45 Cb 0.68 0.11 -0.05 0.00 3.61 0.00 0.00 35.95 40.30 2kg5 h PHE 45 CO -0.00 -0.05 0.28 0.00 -1.61 0.00 0.00 178.31 176.93 2kg5 h ARG 46 N -0.57 0.52 0.00 1.51 3.08 -0.09 0.64 114.38 119.47 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 0.41 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.35 2kg5 h ARG 46 CO 0.06 0.34 0.00 -0.09 -1.07 0.00 0.00 179.97 179.21 2kg5 h ARG 47 N 0.53 0.00 -0.00 0.04 9.65 -1.32 -0.17 114.38 123.11 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 0.16 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.74 2kg5 h ARG 47 CO -0.17 0.00 -0.19 1.58 2.80 0.00 0.00 179.97 183.99 2kg5 n HIS 48 N -2.42 0.00 -0.02 2.20 -0.00 0.19 -4.90 115.22 110.27 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 0.13 -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 1.34 0.99 2.50 1.57 0.00 -0.08 -5.06 105.19 106.45 2kg5 n GLY 49 Ca 0.12 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 0.86 -0.04 0.99 2.34 -1.05 -4.95 118.68 116.84 2kg5 s LEU 50 Ca 0.00 -1.85 0.21 0.00 0.06 0.00 0.00 54.13 52.55 2kg5 s LEU 50 Cb 0.00 -0.40 0.67 0.00 -0.56 0.00 0.00 46.19 45.90 2kg5 s LEU 50 CO 0.00 -0.36 1.56 0.00 -1.06 0.00 0.00 176.35 176.49 2kg5 n ALA 51 N 4.50 2.61 -3.02 1.48 0.00 -1.26 -2.98 120.51 121.85 2kg5 n ALA 51 Ca 0.05 -1.36 -0.11 0.00 0.00 0.00 0.00 53.44 52.02 2kg5 n ALA 51 Cb 0.39 -0.97 -0.10 0.00 0.00 0.00 0.00 19.45 18.77 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 -1.29 0.09 0.61 0.00 -4.23 -1.26 -0.11 115.64 109.46 2kg5 s THR 52 Ca 0.49 -0.78 0.40 0.00 -1.18 0.00 0.00 61.69 60.62 2kg5 s THR 52 Cb 0.28 -0.55 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 4.09 1.15 0.00 3.99 0.00 -1.54 -0.47 119.26 126.49 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 -0.35 0.78 0.00 0.00 0.00 179.25 180.12 2kg5 h GLY 54 N 0.13 0.00 -0.84 0.00 0.00 -1.81 -2.49 103.07 98.06 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 0.11 3.60 0.00 -0.22 -4.11 120.51 120.85 2kg5 n ALA 55 Ca 0.02 -0.57 0.03 0.00 0.00 0.00 0.00 53.44 52.92 2kg5 n ALA 55 Cb 0.56 -0.92 -0.05 0.00 0.00 0.00 0.00 19.45 19.04 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 0.14 2.48 -1.49 0.00 0.00 -0.97 -4.69 120.51 115.98 2kg5 n ALA 56 Ca 0.12 -0.18 -0.44 0.00 0.00 0.00 0.00 53.44 52.95 2kg5 n ALA 56 Cb 0.45 -0.24 -0.08 0.00 0.00 0.00 0.00 19.45 19.58 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 -1.54 0.74 0.00 0.00 1.74 -0.94 -1.90 116.66 114.76 2kg5 n ARG 57 Ca -0.00 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 2kg5 n ARG 57 Cb 0.16 -2.47 0.00 0.00 -1.02 0.00 0.00 32.46 29.13 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 6.40 1.22 3.58 -0.13 0.00 -1.26 -5.07 105.19 109.92 2kg5 n GLY 58 Ca 0.47 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.08 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 2.18 0.00 0.99 4.32 -0.80 -5.01 117.00 118.69 2kg5 n LEU 59 Ca 0.00 0.98 -0.16 0.00 -0.02 0.00 0.00 56.01 56.81 2kg5 n LEU 59 Cb 0.00 -1.31 -0.03 0.00 -1.62 0.00 0.00 43.42 40.46 2kg5 n LEU 59 CO 0.00 -1.83 -0.10 0.61 -1.22 0.00 0.00 177.39 174.85 2kg5 n GLY 60 N 1.32 3.77 0.15 -0.72 0.00 -1.26 -5.00 105.19 103.45 2kg5 n GLY 60 Ca 0.10 -2.28 -0.14 0.00 0.00 0.00 0.00 46.02 43.70 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 1.07 -0.26 0.00 1.61 3.86 -1.98 -1.60 115.15 117.85 2kg5 h HIS 61 Ca -0.20 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.00 2kg5 h HIS 61 Cb 0.63 0.09 0.00 0.00 1.06 0.00 0.00 27.41 29.19 2kg5 h HIS 61 CO 0.00 -0.06 0.00 1.49 0.86 0.00 0.00 177.93 180.22 2kg5 h GLU 62 N -0.41 0.00 0.17 2.45 4.22 -2.01 -1.65 114.58 117.36 2kg5 h GLU 62 Ca -0.03 0.00 -0.31 0.00 0.08 0.00 0.00 59.36 59.11 2kg5 h GLU 62 Cb 0.31 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.58 2kg5 h GLU 62 CO 0.05 0.00 -1.41 1.49 -2.18 0.00 0.00 179.01 176.96 2kg5 h GLU 63 N 0.00 0.36 -0.25 1.92 4.57 -1.80 -3.28 114.58 116.10 2kg5 h GLU 63 Ca 0.00 -0.62 -0.09 0.00 -1.18 0.00 0.00 59.36 57.48 2kg5 h GLU 63 Cb 0.08 0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 2kg5 h GLU 63 CO 0.00 1.28 -0.22 -0.07 -1.18 0.00 0.00 179.01 178.82 2kg5 h LEU 64 N 0.10 0.45 -0.88 1.64 4.07 -0.36 -1.53 115.31 118.80 2kg5 h LEU 64 Ca -0.21 -0.14 -0.02 0.00 0.08 0.00 0.00 57.88 57.59 2kg5 h LEU 64 Cb 2.05 -0.12 -0.04 0.00 1.08 0.00 0.00 40.66 43.63 2kg5 h LEU 64 CO 0.22 0.67 0.45 0.11 -1.08 0.00 0.00 178.44 178.81 2kg5 h LYS 65 N 0.41 1.24 0.00 1.13 1.57 -1.58 -1.87 116.57 117.47 2kg5 h LYS 65 Ca 0.07 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2kg5 h LYS 65 Cb 0.61 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2kg5 h LYS 65 CO 0.04 0.93 -0.23 1.04 -0.57 0.00 0.00 179.45 180.67 2kg5 n GLN 66 N -4.32 0.16 0.24 3.15 6.02 -1.08 -3.46 117.38 118.09 2kg5 n GLN 66 Ca 0.09 0.10 0.11 0.00 -0.01 0.00 0.00 57.00 57.29 2kg5 n GLN 66 Cb 0.12 -1.65 0.52 0.00 1.02 0.00 0.00 30.24 30.25 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 -0.43 -3.46 115.31 115.89 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 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2kg5 h LEU 67 CO 0.00 0.18 0.00 0.61 0.09 0.00 0.00 178.44 179.32 2kg5 n GLY 68 N 0.07 1.71 3.73 0.83 0.00 -1.19 -5.00 105.19 105.33 2kg5 n GLY 68 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.85 4.61 -0.07 -0.61 1.01 -1.15 -5.00 121.20 118.15 2kg5 s ILE 69 Ca 0.00 -0.13 0.14 0.00 0.00 0.00 0.00 60.65 60.65 2kg5 s ILE 69 Cb 0.00 -2.96 0.26 0.00 0.01 0.00 0.00 42.46 39.77 2kg5 s ILE 69 CO 0.00 0.61 1.12 -0.24 0.00 0.00 0.00 174.94 176.43 2kg5 n SER 70 N 2.11 1.09 -4.00 3.58 2.88 -1.26 -4.49 113.62 113.52 2kg5 n SER 70 Ca -0.19 -2.57 -0.31 0.00 -1.33 0.00 0.00 58.87 54.47 2kg5 n SER 70 Cb 0.54 -0.34 -0.15 0.00 -0.75 0.00 0.00 64.21 63.51 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 -1.18 2.77 0.23 -1.46 0.00 -1.26 -4.98 121.76 115.87 2kg5 s ALA 71 Ca 0.24 -2.43 -0.07 0.00 0.00 0.00 0.00 51.96 49.69 2kg5 s ALA 71 Cb 0.24 -1.92 0.36 0.00 0.00 0.00 0.00 23.12 21.79 2kg5 s ALA 71 CO -0.06 -1.67 1.75 1.15 0.00 0.00 0.00 175.76 176.93 2kg5 h THR 72 N 6.61 0.75 -0.61 0.00 2.02 -1.99 0.16 112.91 119.85 2kg5 h THR 72 Ca -0.05 -0.16 0.05 0.00 0.77 0.00 0.00 66.41 67.01 2kg5 h THR 72 Cb 1.02 0.24 -0.04 0.00 -1.74 0.00 0.00 68.15 67.63 2kg5 h THR 72 CO 0.51 0.09 0.40 1.23 0.37 0.00 0.00 175.52 178.12 2kg5 h GLY 73 N 0.47 0.77 1.09 2.16 0.00 -1.99 -1.23 103.07 104.35 2kg5 h GLY 73 Ca 0.36 -0.26 -0.29 0.00 0.00 0.00 0.00 47.33 47.14 2kg5 h GLY 73 CO -0.33 0.21 -1.24 0.45 0.00 0.00 0.00 176.54 175.62 2kg5 h HIS 74 N 0.65 0.88 0.07 5.60 -0.00 -1.52 -3.07 115.15 117.76 2kg5 h HIS 74 Ca 0.25 -0.62 0.01 0.00 -0.00 0.00 0.00 60.37 60.02 2kg5 h HIS 74 Cb 0.19 -0.04 -0.02 0.00 -0.00 0.00 0.00 27.41 27.54 2kg5 h HIS 74 CO -0.00 1.47 -0.13 -0.09 -0.00 0.00 0.00 177.93 179.18 2kg5 h ARG 75 N 0.03 -0.25 0.00 2.45 2.43 -0.33 -0.83 114.38 117.88 2kg5 h ARG 75 Ca -0.21 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 2kg5 h ARG 75 Cb 1.96 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 31.57 2kg5 h ARG 75 CO 0.23 -0.17 0.00 0.87 -1.51 0.00 0.00 179.97 179.40 2kg5 h LYS 76 N -0.26 0.00 0.00 0.20 1.57 -1.37 -1.61 116.57 115.10 2kg5 h LYS 76 Ca 0.02 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.69 2kg5 h LYS 76 Cb 0.28 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 2kg5 h LYS 76 CO -0.08 0.00 -0.52 -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 -1.06 -2.80 114.38 116.10 2kg5 h ARG 77 Ca 0.00 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 2kg5 h ARG 77 Cb 0.23 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 2kg5 h ARG 77 CO 0.00 0.52 -0.82 0.82 -1.51 0.00 0.00 179.97 178.98 2kg5 h ILE 78 N 0.00 0.41 -0.62 1.20 2.04 -0.89 -3.36 117.51 116.28 2kg5 h ILE 78 Ca -0.01 -1.52 0.13 0.00 1.00 0.00 0.00 64.86 64.47 2kg5 h ILE 78 Cb 1.32 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 38.34 2kg5 h ILE 78 CO 0.07 0.14 0.42 -0.07 0.00 0.00 0.00 178.15 178.71 2kg5 h LEU 79 N -1.00 0.25 -2.16 1.44 3.38 -1.59 0.29 115.31 115.92 2kg5 h LEU 79 Ca -0.15 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 2kg5 h LEU 79 Cb 0.85 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 2kg5 h LEU 79 CO -0.09 0.14 -0.04 -0.09 0.09 0.00 0.00 178.44 178.45 2kg5 h ARG 80 N 0.28 0.00 0.02 1.13 2.43 -1.67 -2.51 114.38 114.05 2kg5 h ARG 80 Ca 0.30 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 59.13 2kg5 h ARG 80 Cb 0.79 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.28 2kg5 h ARG 80 CO -0.07 0.04 -2.04 -0.11 -1.51 0.00 0.00 179.97 176.29 2kg5 n LEU 81 N -3.30 0.97 -0.28 3.80 7.94 0.93 -4.07 117.00 122.98 2kg5 n LEU 81 Ca -0.02 0.20 -0.00 0.00 -1.11 0.00 0.00 56.01 55.09 2kg5 n LEU 81 Cb 0.20 0.03 0.19 0.00 0.53 0.00 0.00 43.42 44.37 2kg5 n LEU 81 CO 0.26 0.53 1.26 0.25 -1.11 0.00 0.00 177.39 178.58 2kg5 h LEU 82 N 0.01 0.98 -0.03 -1.96 6.46 -0.88 -2.75 115.31 117.13 2kg5 h LEU 82 Ca -0.42 -0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.32 2kg5 h LEU 82 Cb 2.09 -0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 41.77 2kg5 h LEU 82 CO 0.05 0.71 0.01 1.56 -0.62 0.00 0.00 178.44 180.14 2kg5 h GLN 83 N 1.16 0.05 -6.98 1.25 4.20 -1.68 -3.46 115.11 109.65 2kg5 h GLN 83 Ca 0.32 -0.01 -0.57 0.00 0.06 0.00 0.00 58.65 58.45 2kg5 h GLN 83 Cb -0.12 -0.01 -0.34 0.00 0.30 0.00 0.00 27.48 27.31 2kg5 h GLN 83 CO -0.07 0.24 -0.83 -2.37 -0.67 0.00 0.00 178.83 175.13 2kg5 n THR 84 N -4.96 -0.08 -2.67 -0.54 5.66 -1.04 -4.72 114.28 105.93 2kg5 n THR 84 Ca -0.07 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 60.88 2kg5 n THR 84 Cb 0.13 -0.55 0.07 0.00 -1.55 0.00 0.00 70.33 68.43 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 -1.04 0.68 3.30 1.09 0.00 -1.26 -5.13 105.19 102.83 2kg5 n GLY 85 Ca 0.11 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 2kg5 n GLY 85 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2kg5 s THR 86 N 0.13 0.08 -0.26 2.61 -1.32 -1.26 -5.07 115.64 110.56 2kg5 s THR 86 Ca 0.14 -0.72 0.22 0.00 -1.21 0.00 0.00 61.69 60.13 2kg5 s THR 86 Cb 0.29 -1.22 0.51 0.00 -1.51 0.00 0.00 72.50 70.56 2kg5 s THR 86 CO -0.07 -0.38 1.11 -1.84 -2.21 0.00 0.00 174.62 171.24 2kg5 n GLU 87 N -0.19 1.77 -0.84 7.08 0.00 -1.26 -5.12 120.64 122.08 2kg5 n GLU 87 Ca -0.16 -3.50 -0.33 0.00 0.00 0.00 0.00 57.16 53.17 2kg5 n GLU 87 Cb 0.63 -1.60 0.11 0.00 0.00 0.00 0.00 31.44 30.59 2kg5 n GLU 87 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2kg5 n GLU 88 N -0.58 -0.23 -1.76 3.44 2.13 -1.26 -4.64 120.64 117.74 2kg5 n GLU 88 Ca 0.09 -0.03 -0.01 0.00 0.66 0.00 0.00 57.16 57.87 2kg5 n GLU 88 Cb 0.81 -1.82 -0.01 0.00 0.27 0.00 0.00 31.44 30.69 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 1.59 -3.66 2.23 8.31 0.00 -1.26 -5.06 105.19 107.34 2kg5 n GLY 89 Ca 0.07 0.18 -0.02 0.00 0.00 0.00 0.00 46.02 46.24 2kg5 n GLY 89 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kg5 n SER 90 N 0.51 -0.87 -3.50 1.61 3.41 -1.26 -5.13 113.62 108.39 2kg5 n SER 90 Ca -0.11 -1.62 0.01 0.00 -0.26 0.00 0.00 58.87 56.89 2kg5 n SER 90 Cb 0.17 0.55 -0.05 0.00 -0.26 0.00 0.00 64.21 64.62 2kg5 n SER 90 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2kg5 s LEU 91 N -1.92 -0.31 -0.41 1.04 1.43 -1.26 -5.10 118.68 112.15 2kg5 s LEU 91 Ca 0.05 0.46 0.08 0.00 -1.03 0.00 0.00 54.13 53.69 2kg5 s LEU 91 Cb 0.16 1.40 0.26 0.00 0.03 0.00 0.00 46.19 48.04 2kg5 s LEU 91 CO -0.04 -0.07 0.63 0.47 0.23 0.00 0.00 176.35 177.57 2kg5 n ASP 92 N 3.97 -0.52 -4.75 2.29 8.00 -1.26 -5.13 116.55 119.16 2kg5 n ASP 92 Ca -0.14 -2.87 -0.41 0.00 0.71 0.00 0.00 54.79 52.08 2kg5 n ASP 92 Cb 0.56 -0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.59 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 -0.82 4.43 0.73 -0.24 0.04 -1.26 -4.83 135.00 133.05 2kg5 s PRO 93 Ca 0.34 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.43 2kg5 s PRO 93 Cb 0.20 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.58 2kg5 s PRO 93 CO -0.14 -0.14 0.00 1.17 0.04 0.00 0.00 177.00 177.93 2kg5 n LYS 94 N 1.81 -1.95 -3.13 4.56 4.81 -1.26 -4.95 118.16 118.04 2kg5 n LYS 94 Ca 0.03 1.29 -0.03 0.00 -0.87 0.00 0.00 58.31 58.72 2kg5 n LYS 94 Cb 0.43 -2.38 0.01 0.00 0.02 0.00 0.00 35.03 33.10 2kg5 n LYS 94 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2kg5 n SER 95 N -3.98 -7.51 -2.71 3.14 2.88 -1.26 -4.99 113.62 99.19 2kg5 n SER 95 Ca 0.01 -0.19 -0.07 0.00 -1.33 0.00 0.00 58.87 57.29 2kg5 n SER 95 Cb 0.44 -5.07 0.09 0.00 -0.75 0.00 0.00 64.21 58.93 2kg5 n SER 95 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2kg5 n ASP 96 N -1.96 -1.98 -3.78 -3.46 -0.08 -1.26 -5.10 116.55 98.93 2kg5 n ASP 96 Ca -0.03 -2.98 -0.29 0.00 -1.51 0.00 0.00 54.79 49.98 2kg5 n ASP 96 Cb 0.52 1.54 -0.16 0.00 2.34 0.00 0.00 41.12 45.37 2kg5 n ASP 96 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 2kg5 s SER 97 N -1.00 3.60 0.34 1.67 1.04 -1.26 -5.09 113.70 113.00 2kg5 s SER 97 Ca 0.20 -1.25 0.00 0.00 0.48 0.00 0.00 55.95 55.38 2kg5 s SER 97 Cb 0.30 -0.85 0.00 0.00 0.10 0.00 0.00 66.02 65.57 2kg5 s SER 97 CO -0.08 -0.34 0.00 0.00 0.98 0.00 0.00 173.24 173.80 2kg5 n ALA 98 N 4.87 -3.23 -0.06 5.32 0.00 -1.26 -4.67 120.51 121.48 2kg5 n ALA 98 Ca -0.06 0.47 -0.09 0.00 0.00 0.00 0.00 53.44 53.75 2kg5 n ALA 98 Cb 0.44 -1.16 -0.08 0.00 0.00 0.00 0.00 19.45 18.65 2kg5 n ALA 98 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 2kg5 h MET 99 N -1.17 0.00 0.00 0.00 4.05 -2.04 -3.54 114.93 112.23 2kg5 h MET 99 Ca -0.01 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 2kg5 h MET 99 Cb 1.15 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.95 2kg5 h MET 99 CO 0.02 0.64 0.00 -1.91 0.23 0.00 0.00 176.91 175.89