#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5j s ASN 2 N 0.00 6.42 0.47 7.83 0.02 -1.26 -4.83 114.94 123.59 2k5j s ASN 2 Ca 0.00 -1.51 0.26 0.00 -1.02 0.00 0.00 52.86 50.59 2k5j s ASN 2 Cb 0.00 -2.44 1.11 0.00 0.02 0.00 0.00 41.25 39.94 2k5j s ASN 2 CO 0.00 -1.30 1.91 0.77 0.02 0.00 0.00 177.10 178.50 2k5j h SER 3 N 9.29 0.00 -5.54 -1.22 4.64 -2.08 -3.48 113.55 115.16 2k5j h SER 3 Ca -0.02 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2k5j h SER 3 Cb 1.04 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.06 2k5j h SER 3 CO 1.19 0.18 -0.90 0.18 -0.87 0.00 0.00 176.83 176.61 2k5j n LEU 4 N -3.42 -5.51 -0.20 5.97 4.77 -1.26 -4.85 117.00 112.50 2k5j n LEU 4 Ca -0.00 1.69 -0.05 0.00 -0.03 0.00 0.00 56.01 57.61 2k5j n LEU 4 Cb 0.37 -2.51 0.11 0.00 -2.33 0.00 0.00 43.42 39.05 2k5j n LEU 4 CO 0.32 -3.48 0.95 0.00 -1.33 0.00 0.00 177.39 173.85 2k5j h ALA 5 N 4.51 1.05 -2.67 -1.18 0.00 -1.99 -3.42 119.26 115.56 2k5j h ALA 5 Ca -0.31 -0.24 -0.64 0.00 0.00 0.00 0.00 54.91 53.72 2k5j h ALA 5 Cb 0.71 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 2k5j h ALA 5 CO 0.01 0.62 -0.40 0.20 0.00 0.00 0.00 179.25 179.68 2k5j s GLY 6 N -3.55 2.25 -0.15 0.00 0.00 -1.26 -5.08 107.32 99.54 2k5j s GLY 6 Ca -0.11 -0.54 -0.13 0.00 0.00 0.00 0.00 44.72 43.94 2k5j s GLY 6 CO 0.83 -0.28 0.29 -0.26 0.00 0.00 0.00 173.10 173.68 2k5j s ILE 7 N -1.12 5.30 -1.40 0.90 -4.36 -1.26 -4.22 121.20 115.04 2k5j s ILE 7 Ca 0.20 0.54 -0.09 0.00 -0.26 0.00 0.00 60.65 61.05 2k5j s ILE 7 Cb -0.13 -3.62 0.02 0.00 1.25 0.00 0.00 42.46 39.98 2k5j s ILE 7 CO 0.09 0.42 1.11 0.47 0.24 0.00 0.00 174.94 177.27 2k5j n ASP 8 N 3.32 -6.18 -4.09 4.36 8.00 -1.26 -4.99 116.55 115.72 2k5j n ASP 8 Ca -0.13 -0.54 -0.30 0.00 0.71 0.00 0.00 54.79 54.53 2k5j n ASP 8 Cb 0.52 -4.88 -0.17 0.00 -0.02 0.00 0.00 41.12 36.58 2k5j n ASP 8 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2k5j s MET 9 N -6.30 2.43 0.62 -1.24 -1.94 -1.26 -5.14 119.30 106.48 2k5j s MET 9 Ca 0.57 -0.64 -0.04 0.00 -1.71 0.00 0.00 55.69 53.87 2k5j s MET 9 Cb -0.26 -2.03 0.13 0.00 2.01 0.00 0.00 34.83 34.68 2k5j s MET 9 CO 0.71 -0.05 0.84 0.41 -0.01 0.00 0.00 175.02 176.92 2k5j n GLY 10 N 4.16 -0.05 3.08 -0.03 0.00 -1.26 -4.97 105.19 106.11 2k5j n GLY 10 Ca -0.19 -1.90 -0.12 0.00 0.00 0.00 0.00 46.02 43.80 2k5j n GLY 10 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2k5j s ARG 11 N -4.70 0.33 0.06 1.61 1.70 -1.26 -5.16 118.95 111.53 2k5j s ARG 11 Ca 0.52 -0.05 0.03 0.00 -0.47 0.00 0.00 55.73 55.77 2k5j s ARG 11 Cb -0.02 0.15 -0.03 0.00 -0.57 0.00 0.00 34.95 34.48 2k5j s ARG 11 CO 0.36 -0.07 -0.10 0.42 -1.08 0.00 0.00 175.30 174.83 2k5j s ILE 12 N -0.58 0.76 0.12 4.99 1.01 -1.26 -5.15 121.20 121.09 2k5j s ILE 12 Ca -0.07 -1.25 -0.11 0.00 0.00 0.00 0.00 60.65 59.22 2k5j s ILE 12 Cb -0.04 -0.88 -0.06 0.00 0.01 0.00 0.00 42.46 41.49 2k5j s ILE 12 CO 0.01 -0.38 0.46 -0.76 0.00 0.00 0.00 174.94 174.28 2k5j s LEU 13 N -1.79 4.33 -0.06 2.97 1.43 -1.26 -5.09 118.68 119.21 2k5j s LEU 13 Ca -0.05 0.90 0.03 0.00 -1.03 0.00 0.00 54.13 53.98 2k5j s LEU 13 Cb -0.09 -3.15 0.00 0.00 0.03 0.00 0.00 46.19 42.98 2k5j s LEU 13 CO 0.01 0.12 -0.16 -0.76 0.23 0.00 0.00 176.35 175.79 2k5j s LEU 14 N -2.03 1.84 -0.34 1.79 2.01 -1.26 -5.11 118.68 115.58 2k5j s LEU 14 Ca 0.36 -0.35 -0.08 0.00 0.01 0.00 0.00 54.13 54.07 2k5j s LEU 14 Cb -0.14 -0.96 0.03 0.00 0.01 0.00 0.00 46.19 45.13 2k5j s LEU 14 CO 0.19 0.11 0.13 -1.81 1.01 0.00 0.00 176.35 175.98 2k5j s ASP 15 N 0.29 5.39 0.04 2.29 1.01 -1.26 -5.08 116.67 119.36 2k5j s ASP 15 Ca -0.09 -0.96 0.03 0.00 0.71 0.00 0.00 52.55 52.24 2k5j s ASP 15 Cb -0.14 -1.92 -0.02 0.00 1.01 0.00 0.00 42.92 41.85 2k5j s ASP 15 CO 0.03 -0.30 -0.11 -0.76 0.21 0.00 0.00 175.17 174.25 2k5j s LEU 16 N 1.48 2.20 0.87 1.23 1.43 -1.26 -5.15 118.68 119.48 2k5j s LEU 16 Ca 0.01 -0.47 -0.11 0.00 -1.03 0.00 0.00 54.13 52.53 2k5j s LEU 16 Cb -0.19 -0.38 0.11 0.00 0.03 0.00 0.00 46.19 45.77 2k5j s LEU 16 CO 0.04 -0.07 1.11 -0.44 0.23 0.00 0.00 176.35 177.22 2k5j s SER 17 N -1.28 3.54 0.25 2.29 0.01 -1.26 -4.88 113.70 112.37 2k5j s SER 17 Ca -0.03 1.90 -0.05 0.00 1.31 0.00 0.00 55.95 59.08 2k5j s SER 17 Cb -0.08 -2.48 0.29 0.00 0.21 0.00 0.00 66.02 63.96 2k5j s SER 17 CO 0.01 -2.66 1.85 0.78 0.41 0.00 0.00 173.24 173.63 2k5j h ASN 18 N -1.56 1.01 -0.66 2.44 2.35 -2.01 -2.03 115.58 115.12 2k5j h ASN 18 Ca -0.45 -0.11 0.08 0.00 -0.55 0.00 0.00 56.30 55.27 2k5j h ASN 18 Cb 1.26 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 39.33 2k5j h ASN 18 CO 0.48 0.85 0.44 -0.33 -1.65 0.00 0.00 177.43 177.21 2k5j h GLU 19 N 1.11 0.55 -0.34 0.81 3.07 -2.01 -1.25 114.58 116.51 2k5j h GLU 19 Ca 0.27 -0.03 -0.09 0.00 -0.50 0.00 0.00 59.36 59.01 2k5j h GLU 19 Cb 0.10 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 27.88 2k5j h GLU 19 CO -0.04 0.37 -0.13 0.28 -1.40 0.00 0.00 179.01 178.09 2k5j h VAL 20 N 0.57 1.28 -0.88 3.13 2.07 -1.73 -2.82 116.25 117.87 2k5j h VAL 20 Ca 0.30 -1.22 0.15 0.00 0.82 0.00 0.00 66.70 66.75 2k5j h VAL 20 Cb 0.41 1.36 -0.07 0.00 -1.52 0.00 0.00 31.29 31.47 2k5j h VAL 20 CO -0.09 0.40 0.57 0.40 0.02 0.00 0.00 177.57 178.86 2k5j h ILE 21 N 0.47 0.82 -0.66 4.57 2.04 -1.03 0.22 117.51 123.94 2k5j h ILE 21 Ca 0.08 -0.22 -0.08 0.00 1.00 0.00 0.00 64.86 65.64 2k5j h ILE 21 Cb 0.65 0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 2k5j h ILE 21 CO 0.04 0.12 0.08 0.11 0.00 0.00 0.00 178.15 178.50 2k5j h LYS 22 N 0.65 1.11 -0.16 2.37 1.57 -1.24 0.03 116.57 120.89 2k5j h LYS 22 Ca 0.45 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 2k5j h LYS 22 Cb 0.77 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 2k5j h LYS 22 CO -0.20 1.03 0.06 1.96 -0.57 0.00 0.00 179.45 181.73 2k5j h GLN 23 N 1.02 0.25 -0.66 3.15 4.20 -0.43 -2.09 115.11 120.54 2k5j h GLN 23 Ca 0.20 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.83 2k5j h GLN 23 Cb 0.47 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.19 2k5j h GLN 23 CO 0.02 0.35 0.32 -0.07 -0.67 0.00 0.00 178.83 178.77 2k5j h LEU 24 N 0.10 0.87 -0.53 1.46 3.38 -0.93 -2.48 115.31 117.17 2k5j h LEU 24 Ca 0.05 -0.13 0.06 0.00 0.09 0.00 0.00 57.88 57.96 2k5j h LEU 24 Cb 0.20 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.67 2k5j h LEU 24 CO -0.00 0.75 0.23 -0.78 0.09 0.00 0.00 178.44 178.73 2k5j h ASP 25 N 0.92 0.28 -0.73 -0.43 3.58 -0.81 0.37 116.42 119.59 2k5j h ASP 25 Ca 0.23 0.05 0.03 0.00 0.42 0.00 0.00 57.03 57.76 2k5j h ASP 25 Cb 0.12 0.01 -0.05 0.00 1.72 0.00 0.00 39.33 41.13 2k5j h ASP 25 CO -0.03 0.19 0.46 -0.78 -2.88 0.00 0.00 179.24 176.20 2k5j h ASP 26 N 0.44 0.75 0.03 2.28 1.82 -1.03 0.11 116.42 120.82 2k5j h ASP 26 Ca 0.25 0.00 -0.10 0.00 -0.39 0.00 0.00 57.03 56.79 2k5j h ASP 26 Cb 0.23 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.07 2k5j h ASP 26 CO -0.22 0.51 -0.30 -0.07 -1.61 0.00 0.00 179.24 177.55 2k5j h LEU 27 N 0.89 0.41 -0.64 2.28 3.38 -0.81 -2.76 115.31 118.06 2k5j h LEU 27 Ca 0.30 -0.15 -0.14 0.00 0.09 0.00 0.00 57.88 57.99 2k5j h LEU 27 Cb 0.04 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2k5j h LEU 27 CO -0.12 0.70 -0.42 -0.33 0.09 0.00 0.00 178.44 178.36 2k5j h GLU 28 N 0.35 0.58 0.10 1.13 5.08 0.85 -1.88 114.58 120.79 2k5j h GLU 28 Ca 0.05 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.10 2k5j h GLU 28 Cb 0.71 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2k5j h GLU 28 CO 0.05 0.89 -0.05 0.28 -1.00 0.00 0.00 179.01 179.19 2k5j h VAL 29 N 0.47 1.02 -0.84 3.13 2.07 -0.59 2.65 116.25 124.17 2k5j h VAL 29 Ca 0.04 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 2k5j h VAL 29 Cb 0.93 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.98 2k5j h VAL 29 CO 0.08 0.11 0.40 0.06 0.02 0.00 0.00 177.57 178.25 2k5j h GLN 30 N -0.35 1.20 0.00 1.57 3.07 -1.51 -2.25 115.11 116.84 2k5j h GLN 30 Ca -0.01 -0.18 0.00 0.00 0.09 0.00 0.00 58.65 58.55 2k5j h GLN 30 Cb 0.29 -0.22 0.00 0.00 0.08 0.00 0.00 27.48 27.64 2k5j h GLN 30 CO 0.02 0.92 -0.50 0.00 0.09 0.00 0.00 178.83 179.37 2k5j h ARG 31 N 1.19 0.00 -6.11 0.06 2.47 -1.23 -3.48 114.38 107.28 2k5j h ARG 31 Ca 0.29 0.00 -0.45 0.00 -1.26 0.00 0.00 59.98 58.56 2k5j h ARG 31 Cb 0.12 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 28.46 2k5j h ARG 31 CO -0.04 0.00 -0.73 0.09 0.56 0.00 0.00 179.97 179.86 2k5j n ASN 32 N -2.44 -5.37 -4.10 7.04 3.02 0.88 -4.97 115.26 109.32 2k5j n ASN 32 Ca 0.03 -0.69 -0.12 0.00 -0.03 0.00 0.00 54.58 53.77 2k5j n ASN 32 Cb 0.48 -4.26 -0.11 0.00 -0.61 0.00 0.00 39.78 35.28 2k5j n ASN 32 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2k5j s LEU 33 N -7.28 2.35 0.71 3.41 1.43 -0.76 -5.02 118.68 113.52 2k5j s LEU 33 Ca 0.64 -0.72 -0.15 0.00 -1.03 0.00 0.00 54.13 52.86 2k5j s LEU 33 Cb -0.31 -0.12 0.03 0.00 0.03 0.00 0.00 46.19 45.82 2k5j s LEU 33 CO 0.78 -0.31 1.20 -2.16 0.23 0.00 0.00 176.35 176.10 2k5j s PRO 34 N -2.42 2.30 0.16 1.29 0.04 -1.26 -4.56 135.00 130.55 2k5j s PRO 34 Ca -0.02 1.73 -0.14 0.00 0.04 0.00 0.00 61.00 62.60 2k5j s PRO 34 Cb -0.04 -1.86 0.05 0.00 0.04 0.00 0.00 34.50 32.69 2k5j s PRO 34 CO -0.02 -1.71 1.79 0.07 0.04 0.00 0.00 177.00 177.17 2k5j h ARG 35 N -0.14 0.70 -0.95 4.56 0.11 -1.97 -2.42 114.38 114.28 2k5j h ARG 35 Ca -0.48 -0.07 0.23 0.00 0.10 0.00 0.00 59.98 59.76 2k5j h ARG 35 Cb 1.29 -0.14 -0.12 0.00 1.11 0.00 0.00 29.97 32.10 2k5j h ARG 35 CO 0.51 0.53 0.50 0.00 0.10 0.00 0.00 179.97 181.61 2k5j h ALA 36 N 1.13 1.62 -0.55 0.08 0.00 -1.99 0.72 119.26 120.28 2k5j h ALA 36 Ca 0.18 0.14 -0.09 0.00 0.00 0.00 0.00 54.91 55.15 2k5j h ALA 36 Cb 0.02 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2k5j h ALA 36 CO -0.03 -0.31 -0.01 0.22 0.00 0.00 0.00 179.25 179.12 2k5j h ASP 37 N 0.49 0.91 -0.33 0.00 1.82 -1.81 -1.62 116.42 115.89 2k5j h ASP 37 Ca 0.61 -0.25 -0.13 0.00 -0.39 0.00 0.00 57.03 56.87 2k5j h ASP 37 Cb 1.16 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 40.92 2k5j h ASP 37 CO -0.50 0.98 -0.31 -0.07 -1.61 0.00 0.00 179.24 177.73 2k5j h LEU 38 N 0.86 0.84 -0.33 2.28 3.38 0.39 -2.88 115.31 119.85 2k5j h LEU 38 Ca 0.16 -0.46 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 2k5j h LEU 38 Cb 0.52 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2k5j h LEU 38 CO 0.03 1.13 0.16 -0.07 0.09 0.00 0.00 178.44 179.77 2k5j h LEU 39 N 0.56 0.44 -0.71 1.67 3.38 0.04 -0.95 115.31 119.73 2k5j h LEU 39 Ca 0.05 -0.13 0.08 0.00 0.09 0.00 0.00 57.88 57.98 2k5j h LEU 39 Cb 0.88 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.46 2k5j h LEU 39 CO 0.08 0.44 0.38 -0.09 0.09 0.00 0.00 178.44 179.34 2k5j h ARG 40 N 0.40 0.64 -0.42 1.13 2.43 -1.30 -0.48 114.38 116.78 2k5j h ARG 40 Ca 0.11 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.16 2k5j h ARG 40 Cb 0.12 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 2k5j h ARG 40 CO -0.01 0.42 -0.08 0.93 -1.51 0.00 0.00 179.97 179.71 2k5j h GLU 41 N 0.66 0.73 -0.16 0.20 4.39 -1.26 -1.96 114.58 117.17 2k5j h GLU 41 Ca 0.34 -0.22 0.01 0.00 0.34 0.00 0.00 59.36 59.82 2k5j h GLU 41 Cb 0.30 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 2k5j h GLU 41 CO -0.24 0.80 0.08 0.00 -1.16 0.00 0.00 179.01 178.50 2k5j h ALA 42 N 1.24 0.19 0.39 3.43 0.00 0.28 0.43 119.26 125.21 2k5j h ALA 42 Ca 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2k5j h ALA 42 Cb 0.54 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2k5j h ALA 42 CO 0.03 -0.34 -0.19 0.28 0.00 0.00 0.00 179.25 179.03 2k5j h VAL 43 N 0.18 0.62 -0.80 0.00 2.07 -1.15 0.39 116.25 117.56 2k5j h VAL 43 Ca 0.06 -0.29 0.17 0.00 0.82 0.00 0.00 66.70 67.46 2k5j h VAL 43 Cb 0.01 0.76 -0.11 0.00 -1.52 0.00 0.00 31.29 30.43 2k5j h VAL 43 CO -0.04 0.06 0.32 -0.78 0.02 0.00 0.00 177.57 177.15 2k5j h ASP 44 N -0.68 0.27 -0.53 0.57 3.58 -1.27 0.31 116.42 118.66 2k5j h ASP 44 Ca -0.05 0.13 -0.08 0.00 0.42 0.00 0.00 57.03 57.44 2k5j h ASP 44 Cb 0.49 0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.63 2k5j h ASP 44 CO 0.09 0.06 0.03 1.56 -2.88 0.00 0.00 179.24 178.10 2k5j h GLN 45 N 0.42 0.96 -0.28 0.28 4.20 -0.71 -1.89 115.11 118.09 2k5j h GLN 45 Ca 0.46 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.89 2k5j h GLN 45 Cb 0.77 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 2k5j h GLN 45 CO -0.45 0.93 0.13 -0.92 -0.67 0.00 0.00 178.83 177.84 2k5j h TYR 46 N 0.89 0.41 -0.73 2.96 3.20 0.17 -1.59 116.97 122.28 2k5j h TYR 46 Ca 0.17 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.00 2k5j h TYR 46 Cb 0.48 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.59 2k5j h TYR 46 CO 0.03 0.39 0.39 -0.07 -1.64 0.00 0.00 178.16 177.26 2k5j h LEU 47 N 0.31 0.92 -0.53 2.82 3.38 -0.69 0.59 115.31 122.11 2k5j h LEU 47 Ca 0.10 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2k5j h LEU 47 Cb 0.14 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2k5j h LEU 47 CO -0.01 0.76 0.34 0.40 0.09 0.00 0.00 178.44 180.01 2k5j h ILE 48 N 1.01 1.15 -0.56 1.22 2.04 -1.12 0.20 117.51 121.45 2k5j h ILE 48 Ca 0.26 -0.30 -0.09 0.00 1.00 0.00 0.00 64.86 65.73 2k5j h ILE 48 Cb 0.05 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 2k5j h ILE 48 CO -0.04 0.15 -0.01 -1.13 0.00 0.00 0.00 178.15 177.11 2k5j h ASN 49 N 0.71 0.98 -0.46 1.72 -1.24 -0.90 -3.05 115.58 113.35 2k5j h ASN 49 Ca 0.19 -0.31 -0.04 0.00 0.71 0.00 0.00 56.30 56.85 2k5j h ASN 49 Cb -0.05 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 38.71 2k5j h ASN 49 CO -0.04 1.06 0.15 1.56 -1.29 0.00 0.00 177.43 178.87 2k5j h GLN 50 N 0.88 0.72 -4.79 6.67 1.08 -0.42 -3.40 115.11 115.85 2k5j h GLN 50 Ca 0.16 -0.15 -0.68 0.00 -1.45 0.00 0.00 58.65 56.52 2k5j h GLN 50 Cb 0.56 -0.10 -0.31 0.00 -0.05 0.00 0.00 27.48 27.58 2k5j h GLN 50 CO 0.03 0.68 -0.69 -1.54 -0.95 0.00 0.00 178.83 176.37 2k5j s SER 51 N -6.01 4.85 0.00 1.46 1.04 0.67 -4.79 113.70 110.91 2k5j s SER 51 Ca -0.13 -1.09 0.00 0.00 0.48 0.00 0.00 55.95 55.21 2k5j s SER 51 Cb 0.11 -1.74 0.00 0.00 0.10 0.00 0.00 66.02 64.48 2k5j s SER 51 CO 0.78 -0.23 0.00 1.67 0.98 0.00 0.00 173.24 176.43 2k5j n GLN 52 N 4.69 0.00 -3.90 4.02 7.27 -1.25 -4.53 117.38 123.68 2k5j n GLN 52 Ca -0.14 0.00 -0.08 0.00 0.07 0.00 0.00 57.00 56.85 2k5j n GLN 52 Cb 0.45 0.00 -0.08 0.00 2.41 0.00 0.00 30.24 33.02 2k5j n GLN 52 CO 0.00 0.00 0.00 -0.08 0.07 0.00 0.00 177.06 177.05 2k5j s THR 53 N -1.39 0.15 0.00 1.69 -1.32 -1.26 -5.04 115.64 108.47 2k5j s THR 53 Ca 0.00 -1.29 0.00 0.00 -1.21 0.00 0.00 61.69 59.19 2k5j s THR 53 Cb 0.00 -1.39 0.00 0.00 -1.51 0.00 0.00 72.50 69.60 2k5j s THR 53 CO 0.00 -0.70 0.00 0.00 -2.21 0.00 0.00 174.62 171.71 2k5j n ALA 54 N -0.04 0.00 -0.12 11.08 0.00 -1.26 -4.86 120.51 125.31 2k5j n ALA 54 Ca -0.15 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.26 2k5j n ALA 54 Cb 0.62 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.24 2k5j n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k5j h ARG 55 N 0.00 0.81 -0.50 0.00 3.08 -2.04 -2.84 114.38 112.89 2k5j h ARG 55 Ca 0.00 -0.20 -0.00 0.00 0.07 0.00 0.00 59.98 59.85 2k5j h ARG 55 Cb 0.00 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 2k5j h ARG 55 CO 0.00 0.78 0.29 1.15 -1.07 0.00 0.00 179.97 181.12 2k5j h THR 56 N 0.77 1.16 -4.33 2.04 2.02 -2.03 -3.43 112.91 109.11 2k5j h THR 56 Ca 0.16 -0.37 -0.51 0.00 0.77 0.00 0.00 66.41 66.46 2k5j h THR 56 Cb 0.39 0.50 0.10 0.00 -1.74 0.00 0.00 68.15 67.40 2k5j h THR 56 CO 0.01 0.16 0.37 -0.94 0.37 0.00 0.00 175.52 175.49 2k5j s SER 57 N -5.75 5.33 0.10 4.18 1.04 -1.07 -5.08 113.70 112.44 2k5j s SER 57 Ca -0.13 1.58 0.05 0.00 0.48 0.00 0.00 55.95 57.93 2k5j s SER 57 Cb 0.12 -2.45 -0.03 0.00 0.10 0.00 0.00 66.02 63.76 2k5j s SER 57 CO 0.75 -1.47 -0.13 0.68 0.98 0.00 0.00 173.24 174.04 2k5j s VAL 58 N -3.06 1.16 0.47 5.02 -7.23 -1.26 -4.97 120.40 110.52 2k5j s VAL 58 Ca 0.58 -1.53 -0.21 0.00 -1.81 0.00 0.00 61.98 59.01 2k5j s VAL 58 Cb -0.14 -1.30 -0.11 0.00 0.56 0.00 0.00 36.38 35.40 2k5j s VAL 58 CO 0.55 -0.36 0.68 -2.65 -0.31 0.00 0.00 175.10 173.00 2k5j n PRO 59 N 0.86 0.76 0.00 4.82 -0.02 -1.26 -4.99 135.00 135.16 2k5j n PRO 59 Ca -0.18 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 2k5j n PRO 59 Cb 0.56 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.31 2k5j n PRO 59 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2k5j n GLY 60 N 1.61 -2.10 3.62 -1.23 0.00 -1.26 -4.97 105.19 100.86 2k5j n GLY 60 Ca 0.11 -1.31 -0.38 0.00 0.00 0.00 0.00 46.02 44.44 2k5j n GLY 60 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k5j s ILE 61 N 0.00 5.25 -0.21 -0.61 1.01 -1.26 -5.05 121.20 120.33 2k5j s ILE 61 Ca 0.00 0.41 -0.10 0.00 0.00 0.00 0.00 60.65 60.95 2k5j s ILE 61 Cb 0.00 -3.62 0.07 0.00 0.01 0.00 0.00 42.46 38.92 2k5j s ILE 61 CO 0.00 0.22 0.49 0.86 0.00 0.00 0.00 174.94 176.51 2k5j s TRP 62 N 1.75 -0.79 0.00 3.97 -0.00 -1.26 -5.00 118.94 117.60 2k5j s TRP 62 Ca 0.12 1.59 0.00 0.00 -0.00 0.00 0.00 56.10 57.81 2k5j s TRP 62 Cb -0.15 0.39 0.00 0.00 -0.00 0.00 0.00 33.47 33.71 2k5j s TRP 62 CO 0.09 -0.43 0.00 0.94 -0.00 0.00 0.00 176.95 177.55 2k5j n GLN 63 N 4.56 0.42 0.00 5.86 7.27 -1.26 -5.03 117.38 129.21 2k5j n GLN 63 Ca -0.19 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.88 2k5j n GLN 63 Cb 0.55 -0.05 0.00 0.00 2.41 0.00 0.00 30.24 33.14 2k5j n GLN 63 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2k5j n GLY 64 N -0.13 2.48 0.73 1.69 0.00 -1.26 -4.97 105.19 103.73 2k5j n GLY 64 Ca 0.00 -0.32 0.09 0.00 0.00 0.00 0.00 46.02 45.79 2k5j n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k5j n GLU 66 N -2.40 -1.81 -3.46 0.00 2.13 -1.26 -4.96 120.64 108.87 2k5j n GLU 66 Ca 0.00 1.42 -0.30 0.00 0.66 0.00 0.00 57.16 58.95 2k5j n GLU 66 Cb 0.58 -3.69 -0.04 0.00 0.27 0.00 0.00 31.44 28.57 2k5j n GLU 66 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2k5j s GLU 67 N -3.27 3.66 0.83 5.31 2.02 -1.26 -5.09 118.70 120.90 2k5j s GLU 67 Ca 0.17 0.02 -0.12 0.00 0.02 0.00 0.00 54.97 55.06 2k5j s GLU 67 Cb -0.03 -2.70 0.10 0.00 0.10 0.00 0.00 34.13 31.59 2k5j s GLU 67 CO 0.83 0.31 1.18 0.16 0.02 0.00 0.00 175.26 177.76 2k5j s ASP 68 N -2.83 4.28 0.29 -0.19 3.84 -1.26 -5.09 116.67 115.71 2k5j s ASP 68 Ca 0.44 0.77 -0.18 0.00 -0.00 0.00 0.00 52.55 53.58 2k5j s ASP 68 Cb -0.11 -1.24 0.07 0.00 -1.38 0.00 0.00 42.92 40.25 2k5j s ASP 68 CO 0.27 -2.05 0.90 0.61 -0.00 0.00 0.00 175.17 174.90 2k5j n GLY 69 N -3.20 0.81 0.23 2.12 0.00 -1.26 -5.02 105.19 98.86 2k5j n GLY 69 Ca 0.08 -1.20 0.03 0.00 0.00 0.00 0.00 46.02 44.93 2k5j n GLY 69 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2k5j h VAL 70 N 1.98 1.17 -6.03 1.61 -1.51 -2.09 -3.46 116.25 107.91 2k5j h VAL 70 Ca -0.30 -0.77 -0.43 0.00 -1.23 0.00 0.00 66.70 63.97 2k5j h VAL 70 Cb 1.21 1.27 0.07 0.00 -2.13 0.00 0.00 31.29 31.70 2k5j h VAL 70 CO 0.39 0.23 -0.73 -0.62 -1.23 0.00 0.00 177.57 175.62 2k5j n GLU 71 N -4.28 -6.75 -3.49 5.19 -0.58 -1.26 -4.96 120.64 104.52 2k5j n GLU 71 Ca -0.01 0.73 -0.28 0.00 -0.42 0.00 0.00 57.16 57.17 2k5j n GLU 71 Cb 0.27 -5.69 -0.11 0.00 -0.57 0.00 0.00 31.44 25.34 2k5j n GLU 71 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 2k5j s TYR 72 N -3.34 1.20 0.00 -0.32 5.04 -1.26 -5.01 117.35 113.67 2k5j s TYR 72 Ca 0.55 -2.13 0.00 0.00 -2.44 0.00 0.00 57.07 53.05 2k5j s TYR 72 Cb -0.26 -1.14 0.00 0.00 0.35 0.00 0.00 41.96 40.91 2k5j s TYR 72 CO 0.78 -0.81 0.00 1.04 -1.34 0.00 0.00 175.55 175.22 2k5j n GLN 73 N 3.34 0.00 0.00 4.97 6.02 -1.26 -5.10 117.38 125.35 2k5j n GLN 73 Ca 0.20 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.19 2k5j n GLN 73 Cb 0.41 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.67 2k5j n GLN 73 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2k5j n ARG 74 N 0.00 0.00 0.00 -1.09 5.12 -1.26 -4.69 116.66 114.74 2k5j n ARG 74 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2k5j n ARG 74 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 2k5j n ARG 74 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2k5j n LYS 75 N 14.00 0.00 -1.24 5.56 5.02 -1.26 0.20 118.16 140.45 2k5j n LYS 75 Ca 0.00 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.06 2k5j n LYS 75 Cb 0.00 0.00 0.14 0.00 -0.02 0.00 0.00 35.03 35.15 2k5j n LYS 75 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2k5j n LEU 76 N 0.00 6.35 -0.23 -0.35 -0.00 -1.26 -4.64 117.00 116.87 2k5j n LEU 76 Ca 0.00 -3.94 -0.05 0.00 -0.00 0.00 0.00 56.01 52.02 2k5j n LEU 76 Cb 0.00 -0.80 0.05 0.00 -0.00 0.00 0.00 43.42 42.67 2k5j n LEU 76 CO 0.00 1.30 1.14 -0.09 -0.00 0.00 0.00 177.39 179.75 2k5j h ARG 77 N 1.38 0.85 -7.00 1.47 2.43 0.20 -3.41 114.38 110.30 2k5j h ARG 77 Ca 0.53 -0.05 -0.51 0.00 -0.81 0.00 0.00 59.98 59.14 2k5j h ARG 77 Cb 1.92 -0.19 0.06 0.00 -0.42 0.00 0.00 29.97 31.34 2k5j h ARG 77 CO 1.08 0.56 0.48 -1.21 -1.51 0.00 0.00 179.97 179.37 2k5j s GLU 78 N -6.14 3.79 -1.09 0.20 2.02 -1.26 -3.75 118.70 112.47 2k5j s GLU 78 Ca -0.13 1.76 -0.12 0.00 0.02 0.00 0.00 54.97 56.50 2k5j s GLU 78 Cb 0.14 -2.42 -0.04 0.00 0.10 0.00 0.00 34.13 31.90 2k5j s GLU 78 CO 0.76 -0.52 0.87 0.39 0.02 0.00 0.00 175.26 176.78 2k5j n GLU 79 N -0.45 -1.82 0.00 1.61 -0.58 -1.26 -5.15 120.64 112.99 2k5j n GLU 79 Ca 0.07 0.69 0.00 0.00 -0.42 0.00 0.00 57.16 57.51 2k5j n GLU 79 Cb 0.48 -5.11 0.00 0.00 -0.57 0.00 0.00 31.44 26.24 2k5j n GLU 79 CO 0.00 0.00 0.00 1.87 -0.48 0.00 0.00 177.13 178.52