#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 3.24 0.72 1.57 0.23 -1.26 -5.00 119.30 118.80 2kg5 s MET 21 Ca 0.00 -0.81 0.00 0.00 -1.03 0.00 0.00 55.69 53.85 2kg5 s MET 21 Cb 0.00 -2.80 0.00 0.00 -1.53 0.00 0.00 34.83 30.50 2kg5 s MET 21 CO 0.00 0.14 0.00 0.00 -2.03 0.00 0.00 175.02 173.13 2kg5 n ALA 22 N -1.64 -2.44 -2.66 3.16 0.00 -1.26 -4.89 120.51 110.78 2kg5 n ALA 22 Ca -0.03 0.27 -0.24 0.00 0.00 0.00 0.00 53.44 53.45 2kg5 n ALA 22 Cb 0.58 -0.83 -0.07 0.00 0.00 0.00 0.00 19.45 19.13 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 -1.99 3.19 0.84 0.00 0.00 -1.26 -5.13 121.76 117.41 2kg5 s ALA 23 Ca 0.00 -1.58 -0.11 0.00 0.00 0.00 0.00 51.96 50.27 2kg5 s ALA 23 Cb 0.00 -0.85 0.10 0.00 0.00 0.00 0.00 23.12 22.37 2kg5 s ALA 23 CO 0.00 0.31 1.09 -1.25 0.00 0.00 0.00 175.76 175.91 2kg5 s PRO 24 N -3.53 1.68 0.34 0.00 0.04 -1.26 -4.95 135.00 127.33 2kg5 s PRO 24 Ca 0.31 0.97 0.09 0.00 0.04 0.00 0.00 61.00 62.40 2kg5 s PRO 24 Cb -0.07 -1.85 0.63 0.00 0.04 0.00 0.00 34.50 33.25 2kg5 s PRO 24 CO 0.20 -1.99 1.81 -0.56 0.04 0.00 0.00 177.00 176.50 2kg5 h GLN 25 N -1.37 0.21 -1.79 4.56 3.07 -1.99 -3.01 115.11 114.79 2kg5 h GLN 25 Ca -0.47 -0.07 -0.47 0.00 0.09 0.00 0.00 58.65 57.73 2kg5 h GLN 25 Cb 1.26 -0.02 -0.18 0.00 0.08 0.00 0.00 27.48 28.63 2kg5 h GLN 25 CO 0.53 0.48 0.45 -0.25 0.09 0.00 0.00 178.83 180.14 2kg5 n ASP 26 N -4.14 6.59 -4.52 0.06 8.00 -1.26 -3.21 116.55 118.06 2kg5 n ASP 26 Ca -0.01 -3.22 -0.39 0.00 0.71 0.00 0.00 54.79 51.88 2kg5 n ASP 26 Cb 0.38 -1.16 -0.11 0.00 -0.02 0.00 0.00 41.12 40.21 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 -2.24 4.12 0.16 0.64 2.96 -1.14 -5.03 118.68 118.15 2kg5 s LEU 27 Ca 0.51 -0.27 -0.33 0.00 -0.22 0.00 0.00 54.13 53.81 2kg5 s LEU 27 Cb 0.35 -2.07 -0.16 0.00 0.50 0.00 0.00 46.19 44.81 2kg5 s LEU 27 CO -0.15 -0.14 1.11 -0.67 -1.32 0.00 0.00 176.35 175.18 2kg5 n ASP 28 N 5.04 1.04 0.33 3.68 -0.08 -1.26 -1.66 116.55 123.64 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 0.51 -1.17 1.12 0.00 2.34 0.00 0.00 41.12 43.91 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 2.57 0.05 -0.02 5.18 6.09 -0.75 -0.41 117.51 130.22 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 0.93 -0.00 0.00 0.47 0.00 0.00 36.82 39.57 2kg5 h ILE 29 CO 0.69 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 -2.82 119.26 117.10 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 0.15 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2kg5 h ALA 30 CO -0.00 0.82 -0.34 0.28 0.00 0.00 0.00 179.25 180.02 2kg5 h VAL 31 N 0.22 0.71 0.08 0.00 2.07 -1.41 -1.69 116.25 116.22 2kg5 h VAL 31 Ca -0.06 -1.54 -0.00 0.00 0.82 0.00 0.00 66.70 65.92 2kg5 h VAL 31 Cb 1.48 2.01 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 0.00 177.57 177.78 2kg5 h TRP 32 N 0.00 -0.10 0.00 1.57 7.01 -1.46 -3.29 115.95 119.67 2kg5 h TRP 32 Ca -0.00 -0.00 -0.04 0.00 2.11 0.00 0.00 58.89 60.95 2kg5 h TRP 32 Cb 0.98 0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 28.07 2kg5 h TRP 32 CO 0.00 0.43 -0.19 -0.07 -2.79 0.00 0.00 178.44 175.82 2kg5 h LEU 33 N -0.90 0.00 -2.05 0.65 3.38 -1.57 -2.53 115.31 112.29 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 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2kg5 h LEU 33 CO 0.02 0.19 0.00 0.00 0.09 0.00 0.00 178.44 178.74 2kg5 h ALA 34 N 1.81 1.00 0.00 1.53 0.00 -1.37 -1.03 119.26 121.20 2kg5 h ALA 34 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2kg5 h ALA 34 Cb 0.59 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2kg5 h ALA 34 CO 0.02 0.00 -0.21 1.79 0.00 0.00 0.00 179.25 180.85 2kg5 h THR 35 N 0.00 0.63 -0.15 0.00 1.35 -1.55 -2.79 112.91 110.40 2kg5 h THR 35 Ca 0.00 -0.95 0.00 0.00 -0.55 0.00 0.00 66.41 64.91 2kg5 h THR 35 Cb 0.10 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 2kg5 h THR 35 CO 0.00 0.21 0.00 1.33 -0.25 0.00 0.00 175.52 176.81 2kg5 n VAL 36 N -3.54 1.64 -3.34 6.82 0.24 -0.51 -4.97 118.33 114.68 2kg5 n VAL 36 Ca -0.01 -1.62 -0.18 0.00 -2.04 0.00 0.00 64.34 60.49 2kg5 n VAL 36 Cb 0.36 0.07 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 -0.54 -2.22 -2.15 6.34 -0.00 -1.05 -4.91 115.22 110.68 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 0.59 -4.32 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 0.65 0.22 0.27 4.77 -0.53 -4.85 117.00 113.51 2kg5 n LEU 38 Ca -0.04 -1.64 0.18 0.00 -0.03 0.00 0.00 56.01 54.47 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 0.43 1.15 1.05 -1.33 0.00 0.00 177.39 179.21 2kg5 h GLU 39 N 0.47 0.00 -0.12 3.23 4.11 -1.78 0.06 114.58 120.54 2kg5 h GLU 39 Ca -0.10 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.37 2kg5 h GLU 39 Cb 1.58 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.82 2kg5 h GLU 39 CO 0.04 0.00 0.14 -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 3.07 -1.90 0.26 115.11 117.60 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 0.53 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.09 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 -3.82 0.00 0.26 0.06 4.01 0.01 -3.12 117.16 114.56 2kg5 n TYR 41 Ca 0.00 0.00 0.15 0.00 -0.16 0.00 0.00 57.90 57.89 2kg5 n TYR 41 Cb 0.24 -0.44 0.87 0.00 -0.31 0.00 0.00 39.34 39.70 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 1.66 0.21 -0.72 0.00 -0.64 -2.67 119.26 119.90 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 0.31 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2kg5 h ALA 42 CO 0.00 -0.11 -0.11 0.22 0.00 0.00 0.00 179.25 179.25 2kg5 h ASP 43 N 0.00 -0.25 -0.65 0.00 1.82 -1.75 0.09 116.42 115.69 2kg5 h ASP 43 Ca 0.03 0.01 0.15 0.00 -0.39 0.00 0.00 57.03 56.84 2kg5 h ASP 43 Cb 0.19 0.07 -0.04 0.00 0.68 0.00 0.00 39.33 40.23 2kg5 h ASP 43 CO -0.00 -0.17 0.45 0.00 -1.61 0.00 0.00 179.24 177.90 2kg5 h THR 44 N -0.29 0.76 0.25 2.25 1.03 -1.80 -1.79 112.91 113.33 2kg5 h THR 44 Ca -0.03 -0.07 -0.01 0.00 -0.01 0.00 0.00 66.41 66.29 2kg5 h THR 44 Cb 0.22 0.54 0.00 0.00 -1.07 0.00 0.00 68.15 67.84 2kg5 h THR 44 CO 0.04 0.04 -0.12 -0.26 -0.01 0.00 0.00 175.52 175.21 2kg5 h PHE 45 N 0.21 -0.31 -0.54 0.00 -1.00 -1.30 -2.21 116.94 111.79 2kg5 h PHE 45 Ca 0.31 -0.01 0.04 0.00 2.81 0.00 0.00 57.97 61.13 2kg5 h PHE 45 Cb 0.94 0.10 -0.04 0.00 3.61 0.00 0.00 35.95 40.56 2kg5 h PHE 45 CO -0.00 -0.03 0.29 0.00 -1.61 0.00 0.00 178.31 176.96 2kg5 h ARG 46 N -0.56 0.55 0.00 1.51 3.08 -0.18 0.35 114.38 119.11 2kg5 h ARG 46 Ca -0.03 -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 30.34 2kg5 h ARG 46 CO 0.06 0.36 0.00 -0.09 -1.07 0.00 0.00 179.97 179.23 2kg5 h ARG 47 N 0.56 0.00 -0.00 0.04 9.65 -1.32 -0.27 114.38 123.04 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 0.12 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 -0.21 1.58 2.80 0.00 0.00 179.97 183.99 2kg5 n HIS 48 N -2.36 0.00 -0.00 2.20 -0.00 0.09 -4.90 115.22 110.24 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 -0.22 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 1.36 1.00 2.50 1.57 0.00 -0.11 -5.06 105.19 106.45 2kg5 n GLY 49 Ca 0.11 -0.00 -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 0.84 -0.05 0.99 2.34 -1.05 -4.94 118.68 116.80 2kg5 s LEU 50 Ca 0.00 -1.84 0.20 0.00 0.06 0.00 0.00 54.13 52.56 2kg5 s LEU 50 Cb 0.00 -0.39 0.67 0.00 -0.56 0.00 0.00 46.19 45.91 2kg5 s LEU 50 CO 0.00 -0.36 1.58 0.00 -1.06 0.00 0.00 176.35 176.50 2kg5 n ALA 51 N 4.51 2.70 -3.00 1.48 0.00 -1.26 -3.02 120.51 121.92 2kg5 n ALA 51 Ca 0.05 -1.45 -0.11 0.00 0.00 0.00 0.00 53.44 51.93 2kg5 n ALA 51 Cb 0.39 -0.95 -0.10 0.00 0.00 0.00 0.00 19.45 18.80 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 -1.40 0.10 0.61 0.00 -4.23 -1.26 -0.03 115.64 109.42 2kg5 s THR 52 Ca 0.49 -0.80 0.40 0.00 -1.18 0.00 0.00 61.69 60.61 2kg5 s THR 52 Cb 0.29 -0.59 0.42 0.00 1.34 0.00 0.00 72.50 73.96 2kg5 s THR 52 CO 0.29 -0.44 2.32 0.00 -0.54 0.00 0.00 174.62 176.25 2kg5 h ALA 53 N 4.03 1.12 0.00 3.99 0.00 -1.52 -0.64 119.26 126.24 2kg5 h ALA 53 Ca -0.31 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 2kg5 h ALA 53 Cb 1.19 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2kg5 h ALA 53 CO 0.43 0.01 -0.55 0.78 0.00 0.00 0.00 179.25 179.92 2kg5 h GLY 54 N 0.17 0.00 -0.45 0.00 0.00 -1.81 -2.63 103.07 98.34 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 -0.39 0.00 0.00 0.00 0.00 176.54 176.15 2kg5 n ALA 55 N -2.18 3.37 0.12 3.60 0.00 -0.30 -4.09 120.51 121.03 2kg5 n ALA 55 Ca 0.01 -0.54 0.05 0.00 0.00 0.00 0.00 53.44 52.96 2kg5 n ALA 55 Cb 0.60 -0.94 -0.07 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 -0.31 2.60 -1.49 0.00 0.00 -0.90 -4.68 120.51 115.74 2kg5 n ALA 56 Ca 0.10 -0.24 -0.44 0.00 0.00 0.00 0.00 53.44 52.87 2kg5 n ALA 56 Cb 0.42 -0.34 -0.08 0.00 0.00 0.00 0.00 19.45 19.44 2kg5 n ALA 56 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2kg5 n ARG 57 N -1.68 0.72 0.00 0.00 -4.01 -0.99 -1.57 116.66 109.13 2kg5 n ARG 57 Ca -0.01 0.11 0.00 0.00 -1.04 0.00 0.00 57.85 56.91 2kg5 n ARG 57 Cb 0.23 -2.46 0.00 0.00 -3.04 0.00 0.00 32.46 27.19 2kg5 n ARG 57 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2kg5 n GLY 58 N 6.40 1.03 3.57 2.89 0.00 -1.26 -5.07 105.19 112.75 2kg5 n GLY 58 Ca 0.48 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.09 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 2.16 -4.54 0.99 4.77 -0.61 -5.01 117.00 114.77 2kg5 n LEU 59 Ca 0.00 0.94 -0.25 0.00 -0.03 0.00 0.00 56.01 56.67 2kg5 n LEU 59 Cb 0.00 -1.30 -0.11 0.00 -2.33 0.00 0.00 43.42 39.68 2kg5 n LEU 59 CO 0.00 -1.96 -0.32 -0.83 -1.33 0.00 0.00 177.39 172.95 2kg5 s GLY 60 N -0.92 2.23 0.13 -0.72 0.00 -1.26 -5.01 107.32 101.78 2kg5 s GLY 60 Ca 0.66 -2.14 -0.27 0.00 0.00 0.00 0.00 44.72 42.97 2kg5 s GLY 60 CO 0.55 -1.98 1.60 0.45 0.00 0.00 0.00 173.10 173.72 2kg5 h HIS 61 N 1.99 -0.96 -0.24 1.90 3.86 -1.96 0.24 115.15 119.98 2kg5 h HIS 61 Ca -0.42 0.04 0.07 0.00 -1.16 0.00 0.00 60.37 58.89 2kg5 h HIS 61 Cb 1.24 0.44 -0.01 0.00 1.06 0.00 0.00 27.41 30.14 2kg5 h HIS 61 CO 0.70 -0.42 0.17 1.05 0.86 0.00 0.00 177.93 180.29 2kg5 h GLU 62 N -0.44 0.00 0.00 2.45 9.09 -2.02 -0.19 114.58 123.48 2kg5 h GLU 62 Ca 0.08 -0.00 -0.18 0.00 0.05 0.00 0.00 59.36 59.32 2kg5 h GLU 62 Cb 0.57 -0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.65 2kg5 h GLU 62 CO -0.35 0.00 -0.83 0.93 0.05 0.00 0.00 179.01 178.81 2kg5 h GLU 63 N 0.00 0.04 0.00 1.06 4.39 -1.34 -3.15 114.58 115.58 2kg5 h GLU 63 Ca 0.11 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.71 2kg5 h GLU 63 Cb 0.45 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 2kg5 h GLU 63 CO -0.00 0.85 -0.29 -0.07 -1.16 0.00 0.00 179.01 178.34 2kg5 h LEU 64 N 0.02 0.00 -0.58 1.33 -0.00 0.12 -2.47 115.31 113.74 2kg5 h LEU 64 Ca -0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.84 2kg5 h LEU 64 Cb 1.46 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 42.10 2kg5 h LEU 64 CO 0.11 0.29 0.25 0.11 -0.00 0.00 0.00 178.44 179.20 2kg5 h LYS 65 N 0.00 0.85 0.00 1.13 1.57 -1.45 -2.15 116.57 116.52 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 0.59 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2kg5 h LYS 65 CO 0.04 0.71 -0.04 1.04 -0.57 0.00 0.00 179.45 180.63 2kg5 n GLN 66 N -4.51 0.15 0.23 3.15 6.02 -1.10 -3.27 117.38 118.06 2kg5 n GLN 66 Ca 0.03 0.12 0.11 0.00 -0.01 0.00 0.00 57.00 57.25 2kg5 n GLN 66 Cb 0.14 -1.67 0.50 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 -0.93 -3.46 115.31 115.39 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 0.11 1.57 3.75 0.83 0.00 -1.20 -4.85 105.19 105.39 2kg5 n GLY 68 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.86 4.50 -0.05 -0.61 1.01 -1.13 -5.00 121.20 118.05 2kg5 s ILE 69 Ca 0.00 -0.53 0.05 0.00 0.00 0.00 0.00 60.65 60.17 2kg5 s ILE 69 Cb 0.00 -3.05 0.11 0.00 0.01 0.00 0.00 42.46 39.52 2kg5 s ILE 69 CO 0.00 0.33 1.10 -0.24 0.00 0.00 0.00 174.94 176.12 2kg5 n SER 70 N 1.16 -0.84 -0.01 3.58 2.88 -1.26 -4.44 113.62 114.69 2kg5 n SER 70 Ca -0.13 -2.03 0.09 0.00 -1.33 0.00 0.00 58.87 55.47 2kg5 n SER 70 Cb 0.53 0.29 -0.14 0.00 -0.75 0.00 0.00 64.21 64.13 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 -0.19 2.76 0.00 -1.46 0.00 -1.26 -5.00 120.51 115.36 2kg5 n ALA 71 Ca -0.23 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.76 2kg5 n ALA 71 Cb 0.77 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.57 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 -2.12 0.00 -0.18 0.00 -1.04 -1.26 -4.29 114.28 105.39 2kg5 n THR 72 Ca -0.03 0.00 0.26 0.00 -2.04 0.00 0.00 64.05 62.23 2kg5 n THR 72 Cb 0.48 0.00 0.67 0.00 -1.82 0.00 0.00 70.33 69.66 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 0.22 1.48 3.41 0.00 -2.00 0.77 103.07 106.95 2kg5 h GLY 73 Ca 0.00 -0.05 -0.30 0.00 0.00 0.00 0.00 47.33 46.99 2kg5 h GLY 73 CO 0.00 -0.00 -1.35 0.45 0.00 0.00 0.00 176.54 175.64 2kg5 h HIS 74 N 0.10 0.66 0.28 5.60 -0.00 -1.99 -3.14 115.15 116.66 2kg5 h HIS 74 Ca 0.42 -0.48 -0.00 0.00 -0.00 0.00 0.00 60.37 60.31 2kg5 h HIS 74 Cb 1.52 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 28.89 2kg5 h HIS 74 CO -0.00 1.39 -0.22 -0.09 -0.00 0.00 0.00 177.93 179.01 2kg5 h ARG 75 N 0.10 -0.48 0.00 2.45 2.43 -1.20 -1.21 114.38 116.46 2kg5 h ARG 75 Ca -0.19 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 2kg5 h ARG 75 Cb 2.05 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 31.71 2kg5 h ARG 75 CO 0.23 -0.32 0.00 0.87 -1.51 0.00 0.00 179.97 179.23 2kg5 h LYS 76 N -0.50 0.00 0.00 0.20 1.57 -1.54 -1.56 116.57 114.74 2kg5 h LYS 76 Ca -0.02 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.68 2kg5 h LYS 76 Cb 0.44 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 2kg5 h LYS 76 CO -0.01 0.00 -0.39 -0.09 -0.57 0.00 0.00 179.45 178.39 2kg5 h ARG 77 N 0.00 0.00 0.00 3.15 2.43 -1.18 -2.82 114.38 115.96 2kg5 h ARG 77 Ca 0.00 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 2kg5 h ARG 77 Cb 0.22 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 2kg5 h ARG 77 CO 0.00 0.39 -0.79 -0.89 -1.51 0.00 0.00 179.97 177.16 2kg5 n ILE 78 N -3.24 1.46 -0.12 1.20 5.41 -0.62 -4.10 119.36 119.35 2kg5 n ILE 78 Ca 0.02 0.13 0.15 0.00 1.00 0.00 0.00 62.75 64.05 2kg5 n ILE 78 Cb 0.66 -2.27 0.53 0.00 -0.71 0.00 0.00 39.64 37.85 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 -2.34 1.39 3.38 -1.62 0.30 115.31 115.74 2kg5 h LEU 79 Ca -0.13 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2kg5 h LEU 79 Cb 0.79 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 2kg5 h LEU 79 CO -0.08 0.18 -0.02 -0.09 0.09 0.00 0.00 178.44 178.52 2kg5 h ARG 80 N 0.35 0.00 0.01 1.13 2.43 -1.68 -2.34 114.38 114.29 2kg5 h ARG 80 Ca 0.33 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 59.16 2kg5 h ARG 80 Cb 0.80 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.29 2kg5 h ARG 80 CO -0.09 0.02 -2.05 -0.11 -1.51 0.00 0.00 179.97 176.23 2kg5 n LEU 81 N -3.24 0.93 -0.30 3.80 7.94 0.97 -4.08 117.00 123.03 2kg5 n LEU 81 Ca -0.02 0.20 -0.01 0.00 -1.11 0.00 0.00 56.01 55.07 2kg5 n LEU 81 Cb 0.17 0.06 0.18 0.00 0.53 0.00 0.00 43.42 44.35 2kg5 n LEU 81 CO 0.24 0.53 1.27 0.25 -1.11 0.00 0.00 177.39 178.57 2kg5 h LEU 82 N 0.01 1.01 -0.05 -1.96 6.46 -0.80 -2.76 115.31 117.21 2kg5 h LEU 82 Ca -0.42 -0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 57.31 2kg5 h LEU 82 Cb 2.09 -0.25 -0.00 0.00 -0.73 0.00 0.00 40.66 41.77 2kg5 h LEU 82 CO 0.05 0.73 0.02 1.56 -0.62 0.00 0.00 178.44 180.18 2kg5 h GLN 83 N 1.19 0.08 -7.00 1.25 4.20 -1.68 -3.46 115.11 109.70 2kg5 h GLN 83 Ca 0.32 -0.02 -0.58 0.00 0.06 0.00 0.00 58.65 58.44 2kg5 h GLN 83 Cb -0.14 -0.01 -0.35 0.00 0.30 0.00 0.00 27.48 27.28 2kg5 h GLN 83 CO -0.07 0.26 -0.83 -2.37 -0.67 0.00 0.00 178.83 175.14 2kg5 n THR 84 N -4.94 -0.08 0.00 -0.54 5.66 -1.04 -4.31 114.28 109.03 2kg5 n THR 84 Ca -0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 2kg5 n THR 84 Cb 0.13 -0.55 0.00 0.00 -1.55 0.00 0.00 70.33 68.35 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 0.13 2.43 1.09 0.00 -1.26 -4.97 105.19 101.57 2kg5 n GLY 85 Ca 0.11 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.32 3.18 -4.42 2.61 -2.24 -1.26 -5.00 114.28 105.83 2kg5 n THR 86 Ca 0.00 -3.89 -0.26 0.00 -2.27 0.00 0.00 64.05 57.64 2kg5 n THR 86 Cb 0.00 -1.19 -0.09 0.00 -2.10 0.00 0.00 70.33 66.94 2kg5 n THR 86 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2kg5 s GLU 87 N -3.79 2.02 0.05 -0.78 -1.05 -1.26 -5.01 118.70 108.87 2kg5 s GLU 87 Ca 0.56 -1.89 0.00 0.00 -0.15 0.00 0.00 54.97 53.49 2kg5 s GLU 87 Cb 0.45 -1.82 0.00 0.00 -0.44 0.00 0.00 34.13 32.32 2kg5 s GLU 87 CO -0.13 0.05 0.00 -1.91 0.95 0.00 0.00 175.26 174.22 2kg5 n GLU 88 N -0.97 0.00 0.00 -4.83 4.07 -1.26 -5.11 120.64 112.54 2kg5 n GLU 88 Ca -0.04 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.06 2kg5 n GLU 88 Cb 0.64 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 32.02 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 -1.17 2.76 1.12 8.31 0.00 -1.26 -5.08 105.19 109.86 2kg5 n GLY 89 Ca 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.18 2kg5 n GLY 89 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kg5 n SER 90 N 0.00 0.00 -3.68 1.61 2.88 -1.26 -5.11 113.62 108.06 2kg5 n SER 90 Ca 0.00 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.40 2kg5 n SER 90 Cb 0.00 0.18 -0.14 0.00 -0.75 0.00 0.00 64.21 63.50 2kg5 n SER 90 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 2kg5 s LEU 91 N -4.12 -0.08 -0.43 2.46 0.05 -1.26 -5.08 118.68 110.22 2kg5 s LEU 91 Ca 0.00 0.50 0.07 0.00 0.05 0.00 0.00 54.13 54.75 2kg5 s LEU 91 Cb 0.00 0.59 0.23 0.00 -2.05 0.00 0.00 46.19 44.96 2kg5 s LEU 91 CO 0.00 -0.22 0.63 -0.90 -0.55 0.00 0.00 176.35 175.31 2kg5 n ASP 92 N 5.10 -1.19 -4.73 1.48 5.68 -1.26 -5.13 116.55 116.50 2kg5 n ASP 92 Ca -0.10 -2.87 -0.41 0.00 -0.50 0.00 0.00 54.79 50.91 2kg5 n ASP 92 Cb 0.50 0.36 -0.03 0.00 -1.14 0.00 0.00 41.12 40.81 2kg5 n ASP 92 CO 0.00 0.00 0.00 -2.16 -1.33 0.00 0.00 177.20 173.71 2kg5 s PRO 93 N -0.27 4.38 -0.23 0.11 0.04 -1.26 -4.95 135.00 132.83 2kg5 s PRO 93 Ca 0.33 2.04 0.12 0.00 0.04 0.00 0.00 61.00 63.53 2kg5 s PRO 93 Cb 0.16 -3.20 0.44 0.00 0.04 0.00 0.00 34.50 31.94 2kg5 s PRO 93 CO -0.16 -0.27 1.19 1.17 0.04 0.00 0.00 177.00 178.97 2kg5 n LYS 94 N 2.80 2.32 -2.16 4.56 4.81 -1.26 -4.75 118.16 124.48 2kg5 n LYS 94 Ca 0.07 -3.58 -0.22 0.00 -0.87 0.00 0.00 58.31 53.71 2kg5 n LYS 94 Cb 0.43 -1.76 0.02 0.00 0.02 0.00 0.00 35.03 33.73 2kg5 n LYS 94 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 2kg5 n SER 95 N -0.77 4.56 -0.08 3.14 3.41 -1.26 -4.79 113.62 117.82 2kg5 n SER 95 Ca 0.27 -3.58 -0.08 0.00 -0.26 0.00 0.00 58.87 55.22 2kg5 n SER 95 Cb 0.85 -0.37 -0.03 0.00 -0.26 0.00 0.00 64.21 64.40 2kg5 n SER 95 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2kg5 n ASP 96 N -0.66 1.86 -1.34 4.04 8.00 -1.26 -5.10 116.55 122.09 2kg5 n ASP 96 Ca 0.40 0.50 0.17 0.00 0.71 0.00 0.00 54.79 56.57 2kg5 n ASP 96 Cb 0.91 -0.83 -0.06 0.00 -0.02 0.00 0.00 41.12 41.12 2kg5 n ASP 96 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2kg5 n SER 97 N -4.54 -8.06 0.00 -2.24 2.88 -1.26 -5.05 113.62 95.36 2kg5 n SER 97 Ca -0.13 0.92 0.00 0.00 -1.33 0.00 0.00 58.87 58.33 2kg5 n SER 97 Cb 0.40 -4.31 0.00 0.00 -0.75 0.00 0.00 64.21 59.55 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 -3.17 0.08 -1.70 -1.46 0.00 -1.26 -5.11 120.51 107.89 2kg5 n ALA 98 Ca -0.03 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 52.97 2kg5 n ALA 98 Cb 0.62 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.04 2kg5 n ALA 98 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2kg5 n MET 99 N -2.43 2.49 0.00 0.00 0.00 -1.26 -5.35 117.12 110.57 2kg5 n MET 99 Ca 0.00 0.90 0.00 0.00 -0.00 0.00 0.00 57.70 58.60 2kg5 n MET 99 Cb 0.00 -2.71 0.00 0.00 0.00 0.00 0.00 33.22 30.51 2kg5 n MET 99 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06