#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5j n ASN 2 N 0.00 0.00 -1.76 7.83 4.13 -1.26 -4.80 115.26 119.40 2k5j n ASN 2 Ca 0.00 0.33 -0.16 0.00 1.68 0.00 0.00 54.58 56.43 2k5j n ASN 2 Cb 0.00 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.19 2k5j n ASN 2 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 2k5j n SER 3 N -0.36 -4.50 -4.75 6.41 2.88 -1.26 -4.92 113.62 107.12 2k5j n SER 3 Ca 0.00 0.31 -0.40 0.00 -1.33 0.00 0.00 58.87 57.46 2k5j n SER 3 Cb 0.00 -3.98 -0.05 0.00 -0.75 0.00 0.00 64.21 59.43 2k5j n SER 3 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2k5j s LEU 4 N -4.67 4.45 -0.15 2.46 1.43 -1.26 -5.05 118.68 115.89 2k5j s LEU 4 Ca 0.00 1.38 -0.12 0.00 -1.03 0.00 0.00 54.13 54.36 2k5j s LEU 4 Cb 0.00 -3.15 -0.05 0.00 0.03 0.00 0.00 46.19 43.02 2k5j s LEU 4 CO 0.00 0.05 0.25 0.00 0.23 0.00 0.00 176.35 176.88 2k5j s ALA 5 N -0.16 3.67 -0.07 4.21 0.00 -1.26 -4.77 121.76 123.38 2k5j s ALA 5 Ca 0.36 -0.51 -0.05 0.00 0.00 0.00 0.00 51.96 51.77 2k5j s ALA 5 Cb -0.20 -2.28 0.02 0.00 0.00 0.00 0.00 23.12 20.66 2k5j s ALA 5 CO 0.22 0.23 0.10 0.41 0.00 0.00 0.00 175.76 176.71 2k5j n GLY 6 N 3.02 -2.47 3.50 0.00 0.00 -1.26 -4.88 105.19 103.10 2k5j n GLY 6 Ca -0.14 0.71 -0.42 0.00 0.00 0.00 0.00 46.02 46.16 2k5j n GLY 6 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k5j s ILE 7 N -0.30 5.08 -0.46 -0.61 1.01 -1.26 -4.98 121.20 119.69 2k5j s ILE 7 Ca -0.11 -0.21 0.05 0.00 0.00 0.00 0.00 60.65 60.38 2k5j s ILE 7 Cb 0.01 -4.00 0.19 0.00 0.01 0.00 0.00 42.46 38.67 2k5j s ILE 7 CO 0.30 -0.36 0.43 0.47 0.00 0.00 0.00 174.94 175.78 2k5j n ASP 8 N 5.60 0.39 -4.64 3.58 10.43 -1.26 -5.09 116.55 125.55 2k5j n ASP 8 Ca -0.07 -2.62 -0.42 0.00 2.57 0.00 0.00 54.79 54.24 2k5j n ASP 8 Cb 0.48 -0.61 -0.03 0.00 1.84 0.00 0.00 41.12 42.80 2k5j n ASP 8 CO 0.00 0.00 0.00 -0.04 -1.07 0.00 0.00 177.20 176.09 2k5j s MET 9 N -0.60 3.85 0.09 -1.24 -1.94 -1.26 -4.98 119.30 113.22 2k5j s MET 9 Ca 0.33 2.11 -0.02 0.00 -1.71 0.00 0.00 55.69 56.40 2k5j s MET 9 Cb 0.07 -4.12 0.02 0.00 2.01 0.00 0.00 34.83 32.81 2k5j s MET 9 CO -0.16 -1.25 0.10 0.41 -0.01 0.00 0.00 175.02 174.10 2k5j n GLY 10 N 4.72 -1.91 3.16 -0.03 0.00 -1.26 -5.08 105.19 104.79 2k5j n GLY 10 Ca 0.21 -1.55 -0.26 0.00 0.00 0.00 0.00 46.02 44.42 2k5j n GLY 10 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k5j s ARG 11 N -3.21 1.70 0.07 1.61 3.52 -1.26 -5.14 118.95 116.23 2k5j s ARG 11 Ca 0.06 -0.64 0.05 0.00 -0.13 0.00 0.00 55.73 55.07 2k5j s ARG 11 Cb -0.00 -1.53 -0.03 0.00 -1.56 0.00 0.00 34.95 31.83 2k5j s ARG 11 CO 0.04 0.30 -0.13 0.42 -0.81 0.00 0.00 175.30 175.13 2k5j s ILE 12 N -0.14 1.06 -0.29 4.11 1.01 -1.26 -5.13 121.20 120.56 2k5j s ILE 12 Ca 0.00 -1.34 -0.07 0.00 0.00 0.00 0.00 60.65 59.24 2k5j s ILE 12 Cb -0.10 -1.08 0.00 0.00 0.01 0.00 0.00 42.46 41.29 2k5j s ILE 12 CO 0.01 -0.28 0.09 -0.22 0.00 0.00 0.00 174.94 174.53 2k5j s LEU 13 N -1.84 3.80 -0.14 2.97 0.20 -1.26 -5.08 118.68 117.33 2k5j s LEU 13 Ca -0.01 -0.59 -0.02 0.00 0.69 0.00 0.00 54.13 54.19 2k5j s LEU 13 Cb -0.09 -1.90 -0.02 0.00 -0.43 0.00 0.00 46.19 43.74 2k5j s LEU 13 CO 0.02 -0.16 -0.07 -0.22 -0.29 0.00 0.00 176.35 175.63 2k5j s LEU 14 N 1.53 3.10 -0.19 -0.68 2.96 -1.26 -5.10 118.68 119.04 2k5j s LEU 14 Ca 0.04 -0.17 -0.01 0.00 -0.22 0.00 0.00 54.13 53.77 2k5j s LEU 14 Cb -0.17 -1.73 0.01 0.00 0.50 0.00 0.00 46.19 44.80 2k5j s LEU 14 CO 0.03 0.19 -0.14 -1.81 -1.32 0.00 0.00 176.35 173.30 2k5j s ASP 15 N 0.23 3.63 0.06 3.68 -0.00 -1.26 -5.11 116.67 117.90 2k5j s ASP 15 Ca -0.04 -0.53 0.08 0.00 -0.00 0.00 0.00 52.55 52.05 2k5j s ASP 15 Cb -0.14 -1.59 -0.03 0.00 -0.00 0.00 0.00 42.92 41.16 2k5j s ASP 15 CO 0.04 0.00 -0.22 -0.76 -0.00 0.00 0.00 175.17 174.23 2k5j s LEU 16 N 1.29 2.19 0.70 1.23 1.43 -1.26 -5.12 118.68 119.14 2k5j s LEU 16 Ca 0.04 -0.56 -0.16 0.00 -1.03 0.00 0.00 54.13 52.41 2k5j s LEU 16 Cb -0.14 -1.01 0.02 0.00 0.03 0.00 0.00 46.19 45.09 2k5j s LEU 16 CO -0.08 0.16 1.26 -0.44 0.23 0.00 0.00 176.35 177.48 2k5j s SER 17 N -1.32 4.31 0.42 2.29 0.01 -1.26 -4.88 113.70 113.26 2k5j s SER 17 Ca 0.08 2.52 0.08 0.00 1.31 0.00 0.00 55.95 59.94 2k5j s SER 17 Cb -0.09 -2.61 0.88 0.00 0.21 0.00 0.00 66.02 64.41 2k5j s SER 17 CO 0.02 -2.20 2.05 0.78 0.41 0.00 0.00 173.24 174.31 2k5j h ASN 18 N 0.09 0.40 -0.78 2.44 2.35 -2.00 -1.60 115.58 116.48 2k5j h ASN 18 Ca -0.49 -0.02 0.08 0.00 -0.55 0.00 0.00 56.30 55.32 2k5j h ASN 18 Cb 1.32 -0.10 -0.05 0.00 0.05 0.00 0.00 38.32 39.54 2k5j h ASN 18 CO 0.51 0.32 0.51 -0.33 -1.65 0.00 0.00 177.43 176.79 2k5j h GLU 19 N 0.47 0.76 -0.32 0.81 4.39 -2.02 -1.48 114.58 117.19 2k5j h GLU 19 Ca 0.12 -0.05 -0.12 0.00 0.34 0.00 0.00 59.36 59.66 2k5j h GLU 19 Cb -0.00 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.47 2k5j h GLU 19 CO -0.02 0.50 -0.25 0.28 -1.16 0.00 0.00 179.01 178.36 2k5j h VAL 20 N 0.78 1.29 -0.88 3.13 2.07 -1.64 -3.07 116.25 117.92 2k5j h VAL 20 Ca 0.35 -1.40 0.17 0.00 0.82 0.00 0.00 66.70 66.64 2k5j h VAL 20 Cb 0.34 1.48 -0.10 0.00 -1.52 0.00 0.00 31.29 31.49 2k5j h VAL 20 CO -0.13 0.45 0.45 0.40 0.02 0.00 0.00 177.57 178.77 2k5j h ILE 21 N 0.51 0.66 -0.64 4.57 2.04 -1.13 1.45 117.51 124.97 2k5j h ILE 21 Ca 0.06 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 2k5j h ILE 21 Cb 0.81 0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 2k5j h ILE 21 CO 0.07 0.11 0.34 0.50 0.00 0.00 0.00 178.15 179.16 2k5j h LYS 22 N 0.58 0.89 -0.15 2.37 3.64 -1.42 1.33 116.57 123.82 2k5j h LYS 22 Ca 0.50 -0.11 -0.07 0.00 -1.27 0.00 0.00 60.65 59.70 2k5j h LYS 22 Cb 0.79 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.44 2k5j h LYS 22 CO -0.41 0.69 -0.20 1.96 -2.27 0.00 0.00 179.45 179.22 2k5j h GLN 23 N 0.87 0.40 -0.37 1.90 4.20 -0.48 -1.22 115.11 120.42 2k5j h GLN 23 Ca 0.22 -0.23 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 2k5j h GLN 23 Cb 0.06 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 2k5j h GLN 23 CO -0.03 0.81 0.13 1.25 -0.67 0.00 0.00 178.83 180.31 2k5j h LEU 24 N 0.02 0.53 -0.14 1.46 5.85 0.21 -1.00 115.31 122.23 2k5j h LEU 24 Ca 0.02 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.55 2k5j h LEU 24 Cb 0.75 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 2k5j h LEU 24 CO 0.05 0.58 0.09 -0.78 -0.34 0.00 0.00 178.44 178.03 2k5j h ASP 25 N 0.45 0.16 -0.64 1.25 1.82 0.17 0.44 116.42 120.08 2k5j h ASP 25 Ca 0.12 -0.03 0.03 0.00 -0.39 0.00 0.00 57.03 56.76 2k5j h ASP 25 Cb 0.23 -0.04 -0.04 0.00 0.68 0.00 0.00 39.33 40.16 2k5j h ASP 25 CO -0.01 0.14 0.40 -0.78 -1.61 0.00 0.00 179.24 177.38 2k5j h ASP 26 N 0.17 0.65 0.64 2.28 3.58 -1.10 -1.27 116.42 121.37 2k5j h ASP 26 Ca 0.05 -0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.41 2k5j h ASP 26 Cb 0.00 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 40.90 2k5j h ASP 26 CO -0.01 0.45 -0.43 -0.07 -2.88 0.00 0.00 179.24 176.31 2k5j h LEU 27 N 0.78 0.00 -0.61 2.28 3.38 -0.85 -2.73 115.31 117.55 2k5j h LEU 27 Ca 0.25 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.14 2k5j h LEU 27 Cb 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2k5j h LEU 27 CO -0.10 0.43 0.07 -0.08 0.09 0.00 0.00 178.44 178.85 2k5j h GLU 28 N 0.00 1.03 -0.05 1.13 4.22 0.10 -2.81 114.58 118.21 2k5j h GLU 28 Ca -0.00 -0.29 -0.15 0.00 0.08 0.00 0.00 59.36 58.99 2k5j h GLU 28 Cb 0.87 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 2k5j h GLU 28 CO 0.06 0.98 -0.64 0.28 -2.18 0.00 0.00 179.01 177.50 2k5j h VAL 29 N 0.94 1.41 -0.27 0.32 2.07 -1.26 0.32 116.25 119.78 2k5j h VAL 29 Ca 0.18 -2.09 0.03 0.00 0.82 0.00 0.00 66.70 65.65 2k5j h VAL 29 Cb 0.47 2.08 -0.03 0.00 -1.52 0.00 0.00 31.29 32.29 2k5j h VAL 29 CO 0.02 0.61 0.07 1.56 0.02 0.00 0.00 177.57 179.85 2k5j h GLN 30 N 0.15 0.18 0.00 1.57 1.08 -1.23 -2.59 115.11 114.25 2k5j h GLN 30 Ca -0.01 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 2k5j h GLN 30 Cb 1.16 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.55 2k5j h GLN 30 CO 0.10 0.12 -0.90 0.54 -0.95 0.00 0.00 178.83 177.73 2k5j n ARG 31 N -5.06 0.29 -2.27 1.46 1.74 -1.12 -4.95 116.66 106.75 2k5j n ARG 31 Ca -0.01 0.02 -0.21 0.00 -0.77 0.00 0.00 57.85 56.89 2k5j n ARG 31 Cb 0.11 -1.62 -0.02 0.00 -1.02 0.00 0.00 32.46 29.90 2k5j n ARG 31 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2k5j n ASN 32 N -2.01 -5.86 -4.67 0.55 4.13 0.11 -4.98 115.26 102.53 2k5j n ASN 32 Ca 0.02 0.06 -0.26 0.00 1.68 0.00 0.00 54.58 56.09 2k5j n ASN 32 Cb 0.44 -4.92 -0.07 0.00 -1.54 0.00 0.00 39.78 33.69 2k5j n ASN 32 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2k5j s LEU 33 N -5.81 3.33 0.54 3.41 1.02 -1.11 -5.01 118.68 115.05 2k5j s LEU 33 Ca 0.00 -0.43 -0.21 0.00 0.02 0.00 0.00 54.13 53.51 2k5j s LEU 33 Cb 0.00 -1.95 -0.05 0.00 0.02 0.00 0.00 46.19 44.21 2k5j s LEU 33 CO 0.00 0.07 1.29 -2.16 0.02 0.00 0.00 176.35 175.57 2k5j s PRO 34 N -3.12 3.22 0.19 1.29 0.04 -1.26 -4.82 135.00 130.54 2k5j s PRO 34 Ca 0.28 2.07 -0.11 0.00 0.04 0.00 0.00 61.00 63.28 2k5j s PRO 34 Cb -0.09 -2.22 0.12 0.00 0.04 0.00 0.00 34.50 32.35 2k5j s PRO 34 CO 0.19 -1.07 1.81 0.07 0.04 0.00 0.00 177.00 178.04 2k5j h ARG 35 N 1.46 0.93 -1.01 4.56 0.11 -1.97 -2.26 114.38 116.20 2k5j h ARG 35 Ca -0.50 -0.10 0.24 0.00 0.10 0.00 0.00 59.98 59.71 2k5j h ARG 35 Cb 1.29 -0.19 -0.11 0.00 1.11 0.00 0.00 29.97 32.07 2k5j h ARG 35 CO 0.57 0.69 0.62 0.00 0.10 0.00 0.00 179.97 181.95 2k5j h ALA 36 N 1.19 1.89 -0.32 0.08 0.00 -1.99 0.44 119.26 120.56 2k5j h ALA 36 Ca 0.24 0.10 -0.13 0.00 0.00 0.00 0.00 54.91 55.11 2k5j h ALA 36 Cb 0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2k5j h ALA 36 CO -0.04 -0.33 -0.32 -0.44 0.00 0.00 0.00 179.25 178.12 2k5j h ASP 37 N 0.56 0.84 -0.39 0.00 3.32 -1.79 -0.59 116.42 118.38 2k5j h ASP 37 Ca 0.62 -0.47 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 2k5j h ASP 37 Cb 1.24 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.54 2k5j h ASP 37 CO -0.41 1.14 0.09 -0.07 -1.72 0.00 0.00 179.24 178.27 2k5j h LEU 38 N 0.56 0.59 -0.33 1.55 3.38 -0.28 -1.93 115.31 118.86 2k5j h LEU 38 Ca 0.05 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 2k5j h LEU 38 Cb 0.90 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 2k5j h LEU 38 CO 0.08 0.68 0.04 -0.07 0.09 0.00 0.00 178.44 179.26 2k5j h LEU 39 N 0.48 0.53 -0.72 1.67 3.38 -0.30 -2.10 115.31 118.26 2k5j h LEU 39 Ca 0.12 -0.27 0.07 0.00 0.09 0.00 0.00 57.88 57.89 2k5j h LEU 39 Cb 0.32 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.87 2k5j h LEU 39 CO 0.00 0.67 0.41 -0.09 0.09 0.00 0.00 178.44 179.52 2k5j h ARG 40 N 0.37 0.71 -0.66 1.13 2.43 -1.00 -1.16 114.38 116.20 2k5j h ARG 40 Ca 0.10 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.17 2k5j h ARG 40 Cb 0.38 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.74 2k5j h ARG 40 CO 0.01 0.47 0.18 0.93 -1.51 0.00 0.00 179.97 180.05 2k5j h GLU 41 N 0.73 1.03 -0.34 0.20 5.08 -1.20 -0.36 114.58 119.72 2k5j h GLU 41 Ca 0.33 -0.22 0.03 0.00 -1.00 0.00 0.00 59.36 58.50 2k5j h GLU 41 Cb 0.23 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 2k5j h GLU 41 CO -0.20 0.90 0.13 0.00 -1.00 0.00 0.00 179.01 178.84 2k5j h ALA 42 N 1.21 0.40 0.20 3.43 0.00 -0.53 0.48 119.26 124.44 2k5j h ALA 42 Ca 0.21 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2k5j h ALA 42 Cb 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2k5j h ALA 42 CO -0.00 -0.26 -0.09 0.28 0.00 0.00 0.00 179.25 179.18 2k5j h VAL 43 N 0.29 0.90 -0.64 0.00 2.07 -1.14 -1.40 116.25 116.33 2k5j h VAL 43 Ca 0.15 -0.75 0.11 0.00 0.82 0.00 0.00 66.70 67.03 2k5j h VAL 43 Cb 0.11 1.32 -0.08 0.00 -1.52 0.00 0.00 31.29 31.12 2k5j h VAL 43 CO -0.14 0.16 0.23 -0.78 0.02 0.00 0.00 177.57 177.06 2k5j h ASP 44 N -0.65 0.20 -0.86 0.57 -0.00 -0.91 0.13 116.42 114.89 2k5j h ASP 44 Ca -0.03 0.09 -0.01 0.00 -0.00 0.00 0.00 57.03 57.08 2k5j h ASP 44 Cb 0.47 0.08 -0.04 0.00 -0.00 0.00 0.00 39.33 39.84 2k5j h ASP 44 CO 0.04 0.11 0.51 1.56 -0.00 0.00 0.00 179.24 181.46 2k5j h GLN 45 N 0.39 1.18 -0.40 0.28 1.08 -0.02 -1.18 115.11 116.45 2k5j h GLN 45 Ca 0.33 -0.12 -0.02 0.00 -1.45 0.00 0.00 58.65 57.39 2k5j h GLN 45 Cb 0.44 -0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 27.61 2k5j h GLN 45 CO -0.34 0.84 0.16 -0.92 -0.95 0.00 0.00 178.83 177.62 2k5j h TYR 46 N 1.19 0.61 -0.77 2.96 3.20 0.17 -2.15 116.97 122.18 2k5j h TYR 46 Ca 0.31 -0.05 -0.02 0.00 3.14 0.00 0.00 58.73 62.11 2k5j h TYR 46 Cb -0.02 -0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.03 2k5j h TYR 46 CO 0.00 0.54 0.40 -0.07 -1.64 0.00 0.00 178.16 177.39 2k5j h LEU 47 N 0.50 0.98 -0.58 2.82 3.38 -0.46 0.85 115.31 122.80 2k5j h LEU 47 Ca 0.13 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2k5j h LEU 47 Cb 0.19 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 2k5j h LEU 47 CO -0.01 0.82 0.37 0.40 0.09 0.00 0.00 178.44 180.11 2k5j h ILE 48 N 1.07 1.16 -0.43 1.22 2.04 -1.01 0.17 117.51 121.73 2k5j h ILE 48 Ca 0.27 -0.31 -0.10 0.00 1.00 0.00 0.00 64.86 65.72 2k5j h ILE 48 Cb 0.07 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 2k5j h ILE 48 CO -0.04 0.15 -0.14 -1.13 0.00 0.00 0.00 178.15 177.00 2k5j h ASN 49 N 0.78 0.86 -0.66 1.72 -0.73 -1.01 1.04 115.58 117.58 2k5j h ASN 49 Ca 0.21 -0.38 -0.01 0.00 1.87 0.00 0.00 56.30 58.00 2k5j h ASN 49 Cb -0.07 -0.24 -0.03 0.00 0.27 0.00 0.00 38.32 38.25 2k5j h ASN 49 CO -0.04 1.04 0.39 1.56 -0.37 0.00 0.00 177.43 180.01 2k5j h GLN 50 N 0.67 0.90 0.06 6.67 1.08 -0.40 -2.73 115.11 121.37 2k5j h GLN 50 Ca 0.10 -0.09 -0.24 0.00 -1.45 0.00 0.00 58.65 56.97 2k5j h GLN 50 Cb 0.68 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.91 2k5j h GLN 50 CO 0.05 0.66 -1.15 0.66 -0.95 0.00 0.00 178.83 178.09 2k5j h SER 51 N 0.90 0.19 0.00 1.46 4.64 -0.57 -3.47 113.55 116.71 2k5j h SER 51 Ca 0.24 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2k5j h SER 51 Cb -0.01 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 2k5j h SER 51 CO -0.04 1.17 0.00 1.67 -0.87 0.00 0.00 176.83 178.76 2k5j n GLN 52 N -3.42 0.00 -3.26 4.77 7.27 0.36 -4.68 117.38 118.42 2k5j n GLN 52 Ca -0.05 0.00 -0.19 0.00 0.07 0.00 0.00 57.00 56.83 2k5j n GLN 52 Cb 0.98 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 33.61 2k5j n GLN 52 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 2k5j n THR 53 N 0.00 -0.41 -3.39 1.69 -2.24 -1.26 -4.80 114.28 103.88 2k5j n THR 53 Ca 0.00 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2k5j n THR 53 Cb 0.00 -0.92 0.00 0.00 -2.10 0.00 0.00 70.33 67.32 2k5j n THR 53 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k5j n ALA 54 N -3.18 -0.25 -2.61 6.98 0.00 -1.26 -5.17 120.51 115.02 2k5j n ALA 54 Ca 0.01 -0.11 -0.21 0.00 0.00 0.00 0.00 53.44 53.13 2k5j n ALA 54 Cb 0.51 0.07 -0.15 0.00 0.00 0.00 0.00 19.45 19.88 2k5j n ALA 54 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2k5j s ARG 55 N -2.01 1.02 0.00 0.00 0.52 -1.26 -5.10 118.95 112.12 2k5j s ARG 55 Ca 0.02 -0.45 0.00 0.00 -0.52 0.00 0.00 55.73 54.79 2k5j s ARG 55 Cb -0.00 -0.98 0.00 0.00 0.52 0.00 0.00 34.95 34.48 2k5j s ARG 55 CO 0.01 0.27 0.22 2.41 0.02 0.00 0.00 175.30 178.22 2k5j n THR 56 N 2.78 0.00 0.00 0.02 -1.04 -1.26 -4.60 114.28 110.18 2k5j n THR 56 Ca -0.14 0.72 0.00 0.00 -2.04 0.00 0.00 64.05 62.59 2k5j n THR 56 Cb 0.56 -1.65 0.00 0.00 -1.82 0.00 0.00 70.33 67.41 2k5j n THR 56 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2k5j n SER 57 N -0.25 0.00 -3.46 8.00 2.88 -1.26 -4.72 113.62 114.81 2k5j n SER 57 Ca 0.00 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.32 2k5j n SER 57 Cb 0.00 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.51 2k5j n SER 57 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2k5j n VAL 58 N 0.00 -7.41 -2.49 2.46 0.31 -1.26 -4.94 118.33 105.00 2k5j n VAL 58 Ca 0.00 -0.97 -0.37 0.00 -0.01 0.00 0.00 64.34 63.00 2k5j n VAL 58 Cb 0.00 -5.34 -0.04 0.00 -0.91 0.00 0.00 33.84 27.55 2k5j n VAL 58 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2k5j s PRO 59 N -5.02 4.12 -0.06 5.55 0.04 -1.26 -4.51 135.00 133.87 2k5j s PRO 59 Ca 0.39 1.57 -0.02 0.00 0.04 0.00 0.00 61.00 62.99 2k5j s PRO 59 Cb -0.10 -2.55 0.01 0.00 0.04 0.00 0.00 34.50 31.89 2k5j s PRO 59 CO 0.81 -0.19 0.03 0.41 0.04 0.00 0.00 177.00 178.10 2k5j n GLY 60 N 0.39 -1.11 3.00 0.56 0.00 -1.26 -5.00 105.19 101.78 2k5j n GLY 60 Ca 0.05 0.28 -0.21 0.00 0.00 0.00 0.00 46.02 46.14 2k5j n GLY 60 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2k5j s ILE 61 N -0.61 0.85 -0.33 -0.61 1.10 -1.26 -5.10 121.20 115.24 2k5j s ILE 61 Ca -0.04 -0.38 -0.01 0.00 -0.51 0.00 0.00 60.65 59.72 2k5j s ILE 61 Cb 0.00 -0.77 0.13 0.00 0.15 0.00 0.00 42.46 41.97 2k5j s ILE 61 CO 0.18 0.27 0.21 0.86 -2.11 0.00 0.00 174.94 174.35 2k5j s TRP 62 N 0.33 0.39 0.17 3.50 -0.11 -1.26 -5.00 118.94 116.96 2k5j s TRP 62 Ca -0.06 -1.20 -0.11 0.00 1.22 0.00 0.00 56.10 55.96 2k5j s TRP 62 Cb -0.11 -0.81 0.05 0.00 -1.50 0.00 0.00 33.47 31.10 2k5j s TRP 62 CO 0.01 -0.85 1.64 1.96 -4.62 0.00 0.00 176.95 175.09 2k5j h GLN 63 N 7.54 0.97 -0.08 5.86 4.20 -2.04 -3.46 115.11 128.09 2k5j h GLN 63 Ca -0.03 -0.28 -0.04 0.00 0.06 0.00 0.00 58.65 58.36 2k5j h GLN 63 Cb 1.00 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.66 2k5j h GLN 63 CO 0.31 0.95 -0.03 0.41 -0.67 0.00 0.00 178.83 179.80 2k5j n GLY 64 N -0.48 0.53 3.99 3.46 0.00 -1.26 -5.03 105.19 106.41 2k5j n GLY 64 Ca 0.02 -0.55 -0.19 0.00 0.00 0.00 0.00 46.02 45.30 2k5j n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k5j s GLU 66 N -4.43 4.39 0.00 0.00 2.12 -1.26 -4.99 118.70 114.53 2k5j s GLU 66 Ca 0.55 2.12 0.00 0.00 0.36 0.00 0.00 54.97 58.00 2k5j s GLU 66 Cb -0.07 -3.13 0.00 0.00 0.26 0.00 0.00 34.13 31.19 2k5j s GLU 66 CO 0.33 -0.18 0.00 -0.85 -0.54 0.00 0.00 175.26 174.02 2k5j n GLU 67 N 1.61 0.00 -1.05 4.30 0.00 -1.26 -5.09 120.64 119.15 2k5j n GLU 67 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 57.16 57.31 2k5j n GLU 67 Cb 0.42 -0.00 -0.04 0.00 0.00 0.00 0.00 31.44 31.82 2k5j n GLU 67 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2k5j n ASP 68 N -0.17 -5.74 -0.13 -1.84 8.00 -1.26 -4.87 116.55 110.55 2k5j n ASP 68 Ca 0.00 0.55 -0.02 0.00 0.71 0.00 0.00 54.79 56.03 2k5j n ASP 68 Cb 0.00 -3.37 -0.01 0.00 -0.02 0.00 0.00 41.12 37.72 2k5j n ASP 68 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k5j n GLY 69 N -3.28 0.48 1.51 0.44 0.00 -1.26 -4.92 105.19 98.17 2k5j n GLY 69 Ca -0.01 -0.99 -0.10 0.00 0.00 0.00 0.00 46.02 44.92 2k5j n GLY 69 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2k5j n VAL 70 N -3.08 1.93 -1.52 1.61 0.24 -1.26 -4.91 118.33 111.34 2k5j n VAL 70 Ca -0.02 -0.81 -0.28 0.00 -2.04 0.00 0.00 64.34 61.19 2k5j n VAL 70 Cb 0.11 -0.83 -0.14 0.00 -1.47 0.00 0.00 33.84 31.50 2k5j n VAL 70 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2k5j n GLU 71 N -0.10 0.28 -0.30 7.34 1.02 -1.26 -4.68 120.64 122.94 2k5j n GLU 71 Ca 0.24 -0.17 0.08 0.00 -0.02 0.00 0.00 57.16 57.29 2k5j n GLU 71 Cb 0.94 -2.07 0.23 0.00 -0.02 0.00 0.00 31.44 30.51 2k5j n GLU 71 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 2k5j n TYR 72 N 11.27 0.76 -2.05 -0.32 9.36 -1.26 -5.02 117.16 129.90 2k5j n TYR 72 Ca 0.58 -0.36 0.00 0.00 3.32 0.00 0.00 57.90 61.45 2k5j n TYR 72 Cb 0.23 -0.04 0.00 0.00 -0.63 0.00 0.00 39.34 38.90 2k5j n TYR 72 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 2k5j n GLN 73 N 0.93 -5.61 -2.15 2.98 -0.06 -1.26 -4.86 117.38 107.34 2k5j n GLN 73 Ca 0.17 3.99 -0.40 0.00 -2.00 0.00 0.00 57.00 58.76 2k5j n GLN 73 Cb 0.48 -4.36 -0.02 0.00 -4.06 0.00 0.00 30.24 22.29 2k5j n GLN 73 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 2k5j s ARG 74 N -1.19 4.26 -0.13 3.69 0.52 -1.26 -4.98 118.95 119.86 2k5j s ARG 74 Ca 0.00 2.13 -0.23 0.00 -0.52 0.00 0.00 55.73 57.11 2k5j s ARG 74 Cb 0.00 -2.97 -0.03 0.00 0.52 0.00 0.00 34.95 32.47 2k5j s ARG 74 CO 0.00 -0.23 0.71 0.21 0.02 0.00 0.00 175.30 176.01 2k5j s LYS 75 N -1.92 4.34 0.33 3.54 2.20 -1.26 -5.04 119.74 121.93 2k5j s LYS 75 Ca 0.51 0.84 -0.26 0.00 -0.36 0.00 0.00 55.97 56.70 2k5j s LYS 75 Cb -0.38 -3.52 -0.09 0.00 -1.51 0.00 0.00 37.83 32.33 2k5j s LYS 75 CO 0.50 -0.13 1.01 -0.51 -0.36 0.00 0.00 175.35 175.85 2k5j s LEU 76 N 1.47 4.33 0.39 5.43 1.43 -1.26 -5.02 118.68 125.46 2k5j s LEU 76 Ca 0.35 1.99 -0.24 0.00 -1.03 0.00 0.00 54.13 55.20 2k5j s LEU 76 Cb -0.17 -3.98 -0.09 0.00 0.03 0.00 0.00 46.19 41.99 2k5j s LEU 76 CO 0.14 -0.21 1.04 0.00 0.23 0.00 0.00 176.35 177.55 2k5j s ARG 77 N -2.03 4.20 -0.39 1.70 1.70 -1.26 -5.03 118.95 117.83 2k5j s ARG 77 Ca 0.51 1.48 0.01 0.00 -0.47 0.00 0.00 55.73 57.26 2k5j s ARG 77 Cb -0.23 -2.54 0.14 0.00 -0.57 0.00 0.00 34.95 31.75 2k5j s ARG 77 CO 0.29 -0.11 0.24 -1.21 -1.08 0.00 0.00 175.30 173.43 2k5j s GLU 78 N -2.50 0.87 -0.20 3.89 0.41 -1.26 -5.09 118.70 114.82 2k5j s GLU 78 Ca 0.57 -1.68 0.01 0.00 -0.41 0.00 0.00 54.97 53.46 2k5j s GLU 78 Cb -0.21 -1.69 0.04 0.00 -1.78 0.00 0.00 34.13 30.49 2k5j s GLU 78 CO 0.27 -1.22 -0.11 -1.21 -0.49 0.00 0.00 175.26 172.50 2k5j s GLU 79 N 0.66 2.08 0.00 1.61 2.02 -1.26 -5.36 118.70 118.45 2k5j s GLU 79 Ca 0.20 -0.86 0.32 0.00 0.02 0.00 0.00 54.97 54.64 2k5j s GLU 79 Cb -0.20 -2.44 1.83 0.00 0.10 0.00 0.00 34.13 33.42 2k5j s GLU 79 CO -0.02 -0.42 2.18 -2.67 0.02 0.00 0.00 175.26 174.35