#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 3.92 -0.06 3.17 4.13 -1.26 -4.86 115.26 120.31 2k5j n ASN 2 Ca 0.00 -2.48 -0.01 0.00 1.68 0.00 0.00 54.58 53.77 2k5j n ASN 2 Cb 0.00 -0.56 -0.00 0.00 -1.54 0.00 0.00 39.78 37.68 2k5j n ASN 2 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 2k5j n SER 3 N 0.60 -3.76 -1.06 6.41 3.41 -1.26 -3.49 113.62 114.47 2k5j n SER 3 Ca 0.19 0.02 -0.04 0.00 -0.26 0.00 0.00 58.87 58.78 2k5j n SER 3 Cb 0.79 -1.33 -0.02 0.00 -0.26 0.00 0.00 64.21 63.39 2k5j n SER 3 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2k5j n LEU 4 N -0.09 -0.30 -1.39 1.04 4.77 -1.26 -4.11 117.00 115.67 2k5j n LEU 4 Ca -0.01 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 2k5j n LEU 4 Cb 0.14 -1.02 0.00 0.00 -2.33 0.00 0.00 43.42 40.20 2k5j n LEU 4 CO 0.01 -0.24 -0.38 0.00 -1.33 0.00 0.00 177.39 175.45 2k5j n ALA 5 N -0.42 -2.05 -2.00 -1.18 0.00 -1.23 -5.09 120.51 108.53 2k5j n ALA 5 Ca -0.04 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.77 2k5j n ALA 5 Cb 0.15 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.35 2k5j n ALA 5 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k5j n GLY 6 N -0.34 1.70 3.31 0.00 0.00 -1.26 -5.10 105.19 103.51 2k5j n GLY 6 Ca 0.00 -0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 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 1.17 3.96 -0.45 -0.61 1.01 -1.26 -4.96 121.20 120.06 2k5j s ILE 7 Ca 0.00 -0.98 0.07 0.00 0.00 0.00 0.00 60.65 59.74 2k5j s ILE 7 Cb 0.00 -3.19 0.27 0.00 0.01 0.00 0.00 42.46 39.55 2k5j s ILE 7 CO 0.00 -0.13 0.85 -0.90 0.00 0.00 0.00 174.94 174.77 2k5j n ASP 8 N 4.86 -1.75 -4.70 3.58 3.85 -1.26 -5.12 116.55 116.01 2k5j n ASP 8 Ca -0.13 -3.25 -0.42 0.00 -0.71 0.00 0.00 54.79 50.28 2k5j n ASP 8 Cb 0.46 1.10 -0.03 0.00 -1.35 0.00 0.00 41.12 41.30 2k5j n ASP 8 CO 0.00 0.00 0.00 -0.04 -1.01 0.00 0.00 177.20 176.15 2k5j s MET 9 N -0.12 4.30 0.26 0.11 -1.94 -1.26 -4.98 119.30 115.68 2k5j s MET 9 Ca 0.31 1.97 -0.30 0.00 -1.71 0.00 0.00 55.69 55.97 2k5j s MET 9 Cb 0.25 -3.50 -0.09 0.00 2.01 0.00 0.00 34.83 33.50 2k5j s MET 9 CO -0.16 -0.53 1.11 0.20 -0.01 0.00 0.00 175.02 175.64 2k5j s GLY 10 N 1.68 3.01 0.13 -0.03 0.00 -1.26 -5.02 107.32 105.84 2k5j s GLY 10 Ca 0.64 0.90 -0.25 0.00 0.00 0.00 0.00 44.72 46.01 2k5j s GLY 10 CO 0.27 1.55 0.75 0.50 0.00 0.00 0.00 173.10 176.18 2k5j s ARG 11 N -1.26 4.51 -0.02 2.90 0.52 -1.26 -5.07 118.95 119.28 2k5j s ARG 11 Ca 0.46 1.09 0.01 0.00 -0.52 0.00 0.00 55.73 56.77 2k5j s ARG 11 Cb -0.32 -3.28 0.01 0.00 0.52 0.00 0.00 34.95 31.88 2k5j s ARG 11 CO 0.40 0.53 -0.05 0.42 0.02 0.00 0.00 175.30 176.62 2k5j s ILE 12 N -0.95 0.49 -0.25 1.52 1.01 -1.26 -5.13 121.20 116.63 2k5j s ILE 12 Ca 0.35 -0.18 -0.15 0.00 0.00 0.00 0.00 60.65 60.67 2k5j s ILE 12 Cb -0.22 -0.46 -0.04 0.00 0.01 0.00 0.00 42.46 41.75 2k5j s ILE 12 CO 0.25 0.18 0.38 -0.76 0.00 0.00 0.00 174.94 174.98 2k5j s LEU 13 N 0.38 4.08 -0.26 2.97 1.43 -1.26 -5.06 118.68 120.96 2k5j s LEU 13 Ca -0.05 0.37 -0.10 0.00 -1.03 0.00 0.00 54.13 53.33 2k5j s LEU 13 Cb -0.08 -2.46 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 2k5j s LEU 13 CO -0.00 -0.14 0.14 -0.22 0.23 0.00 0.00 176.35 176.36 2k5j s LEU 14 N 1.79 3.89 -0.29 1.79 2.96 -1.26 -5.07 118.68 122.49 2k5j s LEU 14 Ca 0.16 -0.02 -0.11 0.00 -0.22 0.00 0.00 54.13 53.94 2k5j s LEU 14 Cb -0.15 -2.06 -0.04 0.00 0.50 0.00 0.00 46.19 44.44 2k5j s LEU 14 CO 0.09 -0.00 0.20 1.51 -1.32 0.00 0.00 176.35 176.83 2k5j s ASP 15 N 1.46 6.03 -0.05 3.68 3.84 -1.26 -5.06 116.67 125.31 2k5j s ASP 15 Ca 0.07 -0.07 -0.17 0.00 -0.00 0.00 0.00 52.55 52.38 2k5j s ASP 15 Cb -0.15 -2.13 0.03 0.00 -1.38 0.00 0.00 42.92 39.30 2k5j s ASP 15 CO 0.07 -0.09 0.37 -1.48 -0.00 0.00 0.00 175.17 174.05 2k5j s LEU 16 N 1.76 0.59 0.83 2.11 0.05 -1.26 -5.15 118.68 117.61 2k5j s LEU 16 Ca 0.07 0.32 -0.13 0.00 0.05 0.00 0.00 54.13 54.44 2k5j s LEU 16 Cb -0.16 1.44 0.10 0.00 -2.05 0.00 0.00 46.19 45.51 2k5j s LEU 16 CO 0.11 -0.40 1.19 -1.20 -0.55 0.00 0.00 176.35 175.50 2k5j n SER 17 N 1.58 0.87 0.18 1.48 7.64 -1.26 -4.90 113.62 119.20 2k5j n SER 17 Ca -0.19 0.55 0.02 0.00 1.01 0.00 0.00 58.87 60.25 2k5j n SER 17 Cb 0.56 -1.50 0.32 0.00 -1.01 0.00 0.00 64.21 62.58 2k5j n SER 17 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 2k5j h ASN 18 N -1.11 0.01 -0.45 6.43 2.35 -2.01 -2.82 115.58 117.97 2k5j h ASN 18 Ca -0.46 -0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.33 2k5j h ASN 18 Cb 1.29 -0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.64 2k5j h ASN 18 CO 0.45 0.42 0.30 -0.08 -1.65 0.00 0.00 177.43 176.87 2k5j h GLU 19 N 0.00 0.47 -0.22 0.81 4.57 -2.01 -2.06 114.58 116.14 2k5j h GLU 19 Ca -0.00 -0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.08 2k5j h GLU 19 Cb 0.74 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 29.22 2k5j h GLU 19 CO 0.05 0.31 -0.14 0.28 -1.18 0.00 0.00 179.01 178.33 2k5j h VAL 20 N 0.48 1.31 -0.91 0.32 2.07 -1.86 -2.93 116.25 114.74 2k5j h VAL 20 Ca 0.19 -1.25 0.18 0.00 0.82 0.00 0.00 66.70 66.63 2k5j h VAL 20 Cb 0.14 1.66 -0.07 0.00 -1.52 0.00 0.00 31.29 31.50 2k5j h VAL 20 CO -0.05 0.38 0.59 0.40 0.02 0.00 0.00 177.57 178.91 2k5j h ILE 21 N 0.18 0.75 -0.46 4.57 2.04 -1.41 0.78 117.51 123.95 2k5j h ILE 21 Ca 0.04 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 2k5j h ILE 21 Cb 0.66 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 2k5j h ILE 21 CO 0.04 0.10 0.18 0.50 0.00 0.00 0.00 178.15 178.97 2k5j h LYS 22 N 0.57 0.70 -0.16 2.37 3.64 -1.32 1.94 116.57 124.31 2k5j h LYS 22 Ca 0.47 -0.13 -0.04 0.00 -1.27 0.00 0.00 60.65 59.68 2k5j h LYS 22 Cb 0.94 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.64 2k5j h LYS 22 CO -0.22 0.64 -0.05 1.96 -2.27 0.00 0.00 179.45 179.52 2k5j h GLN 23 N 0.61 0.31 0.10 1.90 4.20 -0.32 -1.39 115.11 120.52 2k5j h GLN 23 Ca 0.15 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 2k5j h GLN 23 Cb 0.21 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.98 2k5j h GLN 23 CO -0.01 0.60 -0.05 1.25 -0.67 0.00 0.00 178.83 179.95 2k5j h LEU 24 N 0.01 -0.11 -0.64 1.46 5.85 0.55 -2.29 115.31 120.14 2k5j h LEU 24 Ca 0.04 -0.21 0.12 0.00 0.84 0.00 0.00 57.88 58.67 2k5j h LEU 24 Cb 0.48 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.45 2k5j h LEU 24 CO 0.02 0.16 0.17 -0.78 -0.34 0.00 0.00 178.44 177.66 2k5j h ASP 25 N -0.38 0.07 -0.69 1.25 3.58 0.31 0.26 116.42 120.82 2k5j h ASP 25 Ca -0.01 0.11 -0.00 0.00 0.42 0.00 0.00 57.03 57.55 2k5j h ASP 25 Cb 0.32 0.14 -0.03 0.00 1.72 0.00 0.00 39.33 41.47 2k5j h ASP 25 CO 0.02 0.03 0.42 -0.78 -2.88 0.00 0.00 179.24 176.05 2k5j h ASP 26 N 0.30 0.83 -0.28 2.28 3.58 -1.16 -1.48 116.42 120.49 2k5j h ASP 26 Ca 0.34 -0.04 -0.10 0.00 0.42 0.00 0.00 57.03 57.65 2k5j h ASP 26 Cb 0.52 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.34 2k5j h ASP 26 CO -0.41 0.64 -0.15 0.25 -2.88 0.00 0.00 179.24 176.69 2k5j h LEU 27 N 0.96 0.71 -0.99 2.28 5.85 0.00 -2.85 115.31 121.27 2k5j h LEU 27 Ca 0.25 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 2k5j h LEU 27 Cb -0.04 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.77 2k5j h LEU 27 CO -0.05 0.87 0.31 -0.08 -0.34 0.00 0.00 178.44 179.16 2k5j h GLU 28 N 0.64 1.04 -0.47 1.25 4.81 0.17 -1.65 114.58 120.37 2k5j h GLU 28 Ca 0.10 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 2k5j h GLU 28 Cb 0.62 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 2k5j h GLU 28 CO 0.04 0.82 0.24 0.28 -0.73 0.00 0.00 179.01 179.66 2k5j h VAL 29 N 1.02 1.18 -0.66 0.32 2.07 -1.22 0.93 116.25 119.89 2k5j h VAL 29 Ca 0.24 -0.50 -0.07 0.00 0.82 0.00 0.00 66.70 67.20 2k5j h VAL 29 Cb 0.15 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 2k5j h VAL 29 CO -0.03 0.20 0.14 1.56 0.02 0.00 0.00 177.57 179.46 2k5j h GLN 30 N 0.62 1.06 0.00 1.57 7.50 -1.36 -2.03 115.11 122.47 2k5j h GLN 30 Ca 0.16 -0.27 0.00 0.00 0.50 0.00 0.00 58.65 59.05 2k5j h GLN 30 Cb 0.10 -0.13 0.00 0.00 0.05 0.00 0.00 27.48 27.49 2k5j h GLN 30 CO -0.02 0.96 0.00 0.54 -1.50 0.00 0.00 178.83 178.81 2k5j n ARG 31 N -4.27 0.05 -4.29 1.46 5.12 -0.65 -4.89 116.66 109.18 2k5j n ARG 31 Ca 0.04 0.05 -0.36 0.00 -1.93 0.00 0.00 57.85 55.65 2k5j n ARG 31 Cb 0.26 -1.50 -0.05 0.00 -1.16 0.00 0.00 32.46 30.02 2k5j n ARG 31 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 2k5j n ASN 32 N -1.47 -2.03 -4.08 0.55 6.94 0.30 -4.92 115.26 110.54 2k5j n ASN 32 Ca 0.07 -1.11 -0.11 0.00 -0.02 0.00 0.00 54.58 53.42 2k5j n ASN 32 Cb 0.29 -2.34 -0.11 0.00 -2.36 0.00 0.00 39.78 35.26 2k5j n ASN 32 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2k5j s LEU 33 N -7.24 2.37 0.49 -4.53 1.43 -1.17 -5.07 118.68 104.95 2k5j s LEU 33 Ca 0.59 -0.75 -0.24 0.00 -1.03 0.00 0.00 54.13 52.70 2k5j s LEU 33 Cb -0.33 -0.03 -0.07 0.00 0.03 0.00 0.00 46.19 45.79 2k5j s LEU 33 CO 0.96 -0.37 1.34 -0.81 0.23 0.00 0.00 176.35 177.70 2k5j n PRO 34 N 0.81 1.89 -0.13 1.29 -0.04 -1.26 -4.82 135.00 132.73 2k5j n PRO 34 Ca -0.18 0.68 -0.08 0.00 -0.04 0.00 0.00 63.50 63.87 2k5j n PRO 34 Cb 0.58 -2.52 -0.00 0.00 -0.04 0.00 0.00 33.50 31.52 2k5j n PRO 34 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 2k5j h ARG 35 N 1.83 0.57 -0.99 0.54 2.43 -2.00 -2.50 114.38 114.27 2k5j h ARG 35 Ca -0.50 -0.06 0.22 0.00 -0.81 0.00 0.00 59.98 58.83 2k5j h ARG 35 Cb 1.29 -0.11 -0.12 0.00 -0.42 0.00 0.00 29.97 30.61 2k5j h ARG 35 CO 0.59 0.45 0.57 0.00 -1.51 0.00 0.00 179.97 180.07 2k5j h ALA 36 N 1.09 1.70 -0.54 2.80 0.00 -1.99 0.42 119.26 122.73 2k5j h ALA 36 Ca 0.14 0.12 -0.10 0.00 0.00 0.00 0.00 54.91 55.07 2k5j h ALA 36 Cb 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2k5j h ALA 36 CO -0.02 -0.21 -0.06 0.22 0.00 0.00 0.00 179.25 179.17 2k5j h ASP 37 N 0.61 0.96 -0.45 0.00 -0.00 -1.83 -1.67 116.42 114.04 2k5j h ASP 37 Ca 0.61 -0.29 -0.06 0.00 -0.00 0.00 0.00 57.03 57.30 2k5j h ASP 37 Cb 1.10 -0.26 -0.02 0.00 -0.00 0.00 0.00 39.33 40.16 2k5j h ASP 37 CO -0.45 1.05 0.06 -0.07 -0.00 0.00 0.00 179.24 179.82 2k5j h LEU 38 N 0.88 0.72 -0.52 2.28 3.38 -0.03 -1.51 115.31 120.51 2k5j h LEU 38 Ca 0.15 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 2k5j h LEU 38 Cb 0.60 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 2k5j h LEU 38 CO 0.04 0.81 0.20 -0.07 0.09 0.00 0.00 178.44 179.51 2k5j h LEU 39 N 0.60 0.72 -0.56 1.67 3.38 -0.73 0.73 115.31 121.13 2k5j h LEU 39 Ca 0.13 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2k5j h LEU 39 Cb 0.40 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 2k5j h LEU 39 CO 0.01 0.70 0.29 -0.09 0.09 0.00 0.00 178.44 179.44 2k5j h ARG 40 N 0.70 0.79 -0.45 1.13 2.43 -1.17 -1.63 114.38 116.18 2k5j h ARG 40 Ca 0.17 -0.10 -0.07 0.00 -0.81 0.00 0.00 59.98 59.16 2k5j h ARG 40 Cb 0.21 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 2k5j h ARG 40 CO -0.01 0.63 -0.01 1.49 -1.51 0.00 0.00 179.97 180.56 2k5j h GLU 41 N 0.75 0.81 -0.81 0.20 4.81 -1.03 -1.05 114.58 118.26 2k5j h GLU 41 Ca 0.19 -0.26 0.06 0.00 -0.13 0.00 0.00 59.36 59.22 2k5j h GLU 41 Cb 0.08 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.33 2k5j h GLU 41 CO -0.03 0.87 0.50 0.00 -0.73 0.00 0.00 179.01 179.62 2k5j h ALA 42 N 0.91 1.10 0.08 2.92 0.00 -0.56 0.24 119.26 123.95 2k5j h ALA 42 Ca 0.13 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2k5j h ALA 42 Cb 0.51 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2k5j h ALA 42 CO 0.02 0.24 -0.04 0.28 0.00 0.00 0.00 179.25 179.75 2k5j h VAL 43 N 0.91 1.15 -0.52 0.00 2.07 -1.11 -2.15 116.25 116.60 2k5j h VAL 43 Ca 0.35 -0.85 0.08 0.00 0.82 0.00 0.00 66.70 67.10 2k5j h VAL 43 Cb 0.15 1.69 -0.06 0.00 -1.52 0.00 0.00 31.29 31.55 2k5j h VAL 43 CO -0.17 0.21 0.16 -0.78 0.02 0.00 0.00 177.57 177.02 2k5j h ASP 44 N -0.50 0.14 -0.80 0.57 3.58 -0.81 0.39 116.42 118.99 2k5j h ASP 44 Ca -0.01 0.07 0.05 0.00 0.42 0.00 0.00 57.03 57.57 2k5j h ASP 44 Cb 0.42 0.07 -0.06 0.00 1.72 0.00 0.00 39.33 41.49 2k5j h ASP 44 CO 0.02 0.10 0.49 1.56 -2.88 0.00 0.00 179.24 178.53 2k5j h GLN 45 N 0.33 0.88 -0.66 0.28 1.08 -0.52 -0.81 115.11 115.70 2k5j h GLN 45 Ca 0.26 -0.05 -0.04 0.00 -1.45 0.00 0.00 58.65 57.37 2k5j h GLN 45 Cb 0.31 -0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 27.51 2k5j h GLN 45 CO -0.28 0.58 0.26 -0.92 -0.95 0.00 0.00 178.83 177.52 2k5j h TYR 46 N 0.91 1.00 -0.84 2.96 3.20 -0.45 -2.40 116.97 121.35 2k5j h TYR 46 Ca 0.34 -0.07 -0.02 0.00 3.14 0.00 0.00 58.73 62.11 2k5j h TYR 46 Cb 0.14 -0.30 -0.04 0.00 1.54 0.00 0.00 36.73 38.07 2k5j h TYR 46 CO -0.04 0.78 0.43 -0.07 -1.64 0.00 0.00 178.16 177.62 2k5j h LEU 47 N 0.93 1.08 -0.55 2.82 3.38 -0.09 -0.43 115.31 122.45 2k5j h LEU 47 Ca 0.22 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2k5j h LEU 47 Cb 0.21 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 2k5j h LEU 47 CO -0.02 0.89 0.32 0.40 0.09 0.00 0.00 178.44 180.12 2k5j h ILE 48 N 1.19 1.17 -0.64 1.22 2.04 -0.85 -2.50 117.51 119.15 2k5j h ILE 48 Ca 0.29 -0.42 -0.09 0.00 1.00 0.00 0.00 64.86 65.65 2k5j h ILE 48 Cb 0.08 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 2k5j h ILE 48 CO -0.04 0.18 0.05 -1.13 0.00 0.00 0.00 178.15 177.21 2k5j h ASN 49 N 0.74 1.05 0.00 1.72 -1.24 -1.04 -2.35 115.58 114.47 2k5j h ASN 49 Ca 0.20 -0.28 0.00 0.00 0.71 0.00 0.00 56.30 56.93 2k5j h ASN 49 Cb 0.02 -0.28 0.00 0.00 0.73 0.00 0.00 38.32 38.79 2k5j h ASN 49 CO -0.03 1.07 0.00 0.00 -1.29 0.00 0.00 177.43 177.18 2k5j n GLN 50 N -4.19 0.61 0.00 6.67 1.13 -0.21 -2.82 117.38 118.57 2k5j n GLN 50 Ca 0.04 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.10 2k5j n GLN 50 Cb 0.32 -1.24 0.00 0.00 0.11 0.00 0.00 30.24 29.43 2k5j n GLN 50 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2k5j n SER 51 N 0.47 0.73 0.00 1.08 2.88 -0.90 -5.01 113.62 112.87 2k5j n SER 51 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2k5j n SER 51 Cb 0.24 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.70 2k5j n SER 51 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 2k5j n GLN 52 N -2.32 0.00 -2.83 -1.46 -0.06 -1.12 -5.12 117.38 104.46 2k5j n GLN 52 Ca 0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 57.00 54.97 2k5j n GLN 52 Cb 0.20 0.00 -0.02 0.00 -4.06 0.00 0.00 30.24 26.35 2k5j n GLN 52 CO 0.00 0.00 0.00 2.41 -0.20 0.00 0.00 177.06 179.27 2k5j n THR 53 N -0.45 -7.91 0.00 1.69 -1.04 -1.26 -4.88 114.28 100.43 2k5j n THR 53 Ca 0.00 1.57 0.00 0.00 -2.04 0.00 0.00 64.05 63.58 2k5j n THR 53 Cb 0.00 -4.93 0.00 0.00 -1.82 0.00 0.00 70.33 63.58 2k5j n THR 53 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2k5j n ALA 54 N 1.86 1.31 -1.56 2.41 0.00 -1.26 -5.02 120.51 118.25 2k5j n ALA 54 Ca -0.20 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.80 2k5j n ALA 54 Cb 0.36 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.77 2k5j n ALA 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2k5j n ARG 55 N -0.84 1.62 -0.12 0.00 5.12 -1.26 -4.78 116.66 116.40 2k5j n ARG 55 Ca 0.00 0.39 0.08 0.00 -1.93 0.00 0.00 57.85 56.39 2k5j n ARG 55 Cb 0.00 -3.11 0.29 0.00 -1.16 0.00 0.00 32.46 28.47 2k5j n ARG 55 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 2k5j n THR 56 N 7.71 0.31 -1.73 0.55 -1.04 -1.26 -4.93 114.28 113.89 2k5j n THR 56 Ca 0.34 -0.39 -0.42 0.00 -2.04 0.00 0.00 64.05 61.54 2k5j n THR 56 Cb 0.42 0.30 0.00 0.00 -1.82 0.00 0.00 70.33 69.23 2k5j n THR 56 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2k5j n SER 57 N 0.38 3.08 -2.87 8.00 7.64 -1.26 -4.95 113.62 123.64 2k5j n SER 57 Ca 0.14 1.19 -0.12 0.00 1.01 0.00 0.00 58.87 61.10 2k5j n SER 57 Cb 0.31 -1.54 0.05 0.00 -1.01 0.00 0.00 64.21 62.02 2k5j n SER 57 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2k5j n VAL 58 N 0.24 -0.01 -2.16 0.44 0.24 -1.26 -5.11 118.33 110.71 2k5j n VAL 58 Ca 0.04 -2.58 -0.43 0.00 -2.04 0.00 0.00 64.34 59.33 2k5j n VAL 58 Cb 0.38 0.85 -0.02 0.00 -1.47 0.00 0.00 33.84 33.57 2k5j n VAL 58 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2k5j s PRO 59 N -0.78 3.63 0.00 7.34 0.04 -1.26 -4.62 135.00 139.35 2k5j s PRO 59 Ca 0.28 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.72 2k5j s PRO 59 Cb 0.33 -4.06 0.00 0.00 0.04 0.00 0.00 34.50 30.81 2k5j s PRO 59 CO -0.06 -1.49 0.00 0.41 0.04 0.00 0.00 177.00 175.90 2k5j n GLY 60 N 4.93 0.03 3.07 0.56 0.00 -1.26 -5.08 105.19 107.44 2k5j n GLY 60 Ca 0.19 -0.27 -0.08 0.00 0.00 0.00 0.00 46.02 45.86 2k5j n GLY 60 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2k5j n ILE 61 N 0.00 -9.60 0.32 -0.61 5.41 -1.26 -4.93 119.36 108.69 2k5j n ILE 61 Ca 0.00 0.24 0.12 0.00 1.00 0.00 0.00 62.75 64.11 2k5j n ILE 61 Cb 0.00 -6.55 0.06 0.00 -0.71 0.00 0.00 39.64 32.44 2k5j n ILE 61 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 176.55 173.88 2k5j n TRP 62 N -1.17 0.73 -0.20 1.39 4.27 -1.26 -4.07 117.44 117.13 2k5j n TRP 62 Ca 0.01 0.21 -0.08 0.00 -3.89 0.00 0.00 57.50 53.76 2k5j n TRP 62 Cb 0.51 -0.78 0.02 0.00 -1.36 0.00 0.00 31.31 29.70 2k5j n TRP 62 CO 0.00 0.00 0.00 0.37 -2.29 0.00 0.00 177.69 175.77 2k5j h GLN 63 N 0.00 0.87 0.00 -2.67 4.15 -2.07 -3.47 115.11 111.92 2k5j h GLN 63 Ca 0.00 -0.19 0.00 0.00 0.77 0.00 0.00 58.65 59.23 2k5j h GLN 63 Cb 0.88 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.44 2k5j h GLN 63 CO 0.00 0.79 0.00 0.41 -1.93 0.00 0.00 178.83 178.10 2k5j n GLY 64 N -0.71 2.17 0.00 2.39 0.00 -1.26 -4.79 105.19 102.99 2k5j n GLY 64 Ca 0.03 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.07 -2.47 0.00 0.00 1.02 -1.26 -4.96 120.64 112.89 2k5j n GLU 66 Ca 0.00 1.89 0.00 0.00 -0.02 0.00 0.00 57.16 59.03 2k5j n GLU 66 Cb 0.00 -3.06 0.00 0.00 -0.02 0.00 0.00 31.44 28.36 2k5j n GLU 66 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2k5j n GLU 67 N -3.85 1.56 -1.71 3.49 2.13 -1.26 -5.13 120.64 115.88 2k5j n GLU 67 Ca -0.04 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.49 2k5j n GLU 67 Cb 0.62 -0.22 0.13 0.00 0.27 0.00 0.00 31.44 32.24 2k5j n GLU 67 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2k5j s ASP 68 N -0.41 3.77 0.44 4.31 -0.00 -1.26 -4.98 116.67 118.54 2k5j s ASP 68 Ca 0.00 0.81 -0.25 0.00 -0.00 0.00 0.00 52.55 53.11 2k5j s ASP 68 Cb 0.00 -1.28 -0.09 0.00 -0.00 0.00 0.00 42.92 41.55 2k5j s ASP 68 CO 0.00 -2.37 1.33 0.61 -0.00 0.00 0.00 175.17 174.74 2k5j n GLY 69 N -2.77 0.72 3.73 0.21 0.00 -1.26 -4.96 105.19 100.86 2k5j n GLY 69 Ca 0.08 0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.90 2k5j n GLY 69 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k5j s VAL 70 N -1.20 5.09 -0.22 1.61 1.01 -1.26 -5.05 120.40 120.38 2k5j s VAL 70 Ca 0.62 1.13 -0.05 0.00 0.00 0.00 0.00 61.98 63.67 2k5j s VAL 70 Cb -0.48 -3.89 0.11 0.00 0.00 0.00 0.00 36.38 32.12 2k5j s VAL 70 CO 0.57 0.33 0.41 -1.83 0.00 0.00 0.00 175.10 174.58 2k5j s GLU 71 N 0.45 0.34 -0.50 2.72 -1.05 -1.26 -5.00 118.70 114.39 2k5j s GLU 71 Ca 0.30 0.82 -0.34 0.00 -0.15 0.00 0.00 54.97 55.59 2k5j s GLU 71 Cb -0.16 -0.01 0.05 0.00 -0.44 0.00 0.00 34.13 33.57 2k5j s GLU 71 CO 0.14 -0.43 0.66 0.66 0.95 0.00 0.00 175.26 177.23 2k5j n TYR 72 N 5.38 -2.61 -0.07 4.83 4.01 -1.26 -4.84 117.16 122.60 2k5j n TYR 72 Ca -0.06 1.09 -0.06 0.00 -0.16 0.00 0.00 57.90 58.71 2k5j n TYR 72 Cb 0.50 -1.92 0.14 0.00 -0.31 0.00 0.00 39.34 37.75 2k5j n TYR 72 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 2k5j h GLN 73 N 1.76 0.71 -6.99 -0.72 4.15 -1.95 -3.41 115.11 108.66 2k5j h GLN 73 Ca -0.58 -0.25 -0.51 0.00 0.77 0.00 0.00 58.65 58.07 2k5j h GLN 73 Cb 1.41 -0.05 0.07 0.00 0.21 0.00 0.00 27.48 29.12 2k5j h GLN 73 CO 0.25 0.83 0.51 1.03 -1.93 0.00 0.00 178.83 179.53 2k5j s ARG 74 N -4.70 3.75 -1.45 1.69 0.52 -1.26 -3.13 118.95 114.37 2k5j s ARG 74 Ca -0.09 1.87 -0.07 0.00 -0.52 0.00 0.00 55.73 56.92 2k5j s ARG 74 Cb 0.14 -2.46 0.05 0.00 0.52 0.00 0.00 34.95 33.20 2k5j s ARG 74 CO 0.82 -0.59 0.77 1.17 0.02 0.00 0.00 175.30 177.49 2k5j n LYS 75 N -0.42 -4.74 -3.72 3.54 4.81 -1.26 -4.97 118.16 111.41 2k5j n LYS 75 Ca 0.07 0.55 -0.16 0.00 -0.87 0.00 0.00 58.31 57.91 2k5j n LYS 75 Cb 0.47 -5.19 -0.16 0.00 0.02 0.00 0.00 35.03 30.18 2k5j n LYS 75 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 2k5j s LEU 76 N -7.02 0.46 0.00 3.14 1.98 -1.18 -4.88 118.68 111.17 2k5j s LEU 76 Ca 0.33 0.24 0.00 0.00 -2.89 0.00 0.00 54.13 51.81 2k5j s LEU 76 Cb -0.17 0.20 0.00 0.00 0.66 0.00 0.00 46.19 46.88 2k5j s LEU 76 CO 0.84 -0.19 0.00 -1.14 -1.89 0.00 0.00 176.35 173.97 2k5j n ARG 77 N 4.69 0.00 -3.02 1.98 3.00 -1.26 -4.67 116.66 117.38 2k5j n ARG 77 Ca -0.17 0.00 -0.00 0.00 -0.00 0.00 0.00 57.85 57.68 2k5j n ARG 77 Cb 0.51 -0.08 -0.00 0.00 0.00 0.00 0.00 32.46 32.89 2k5j n ARG 77 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2k5j n GLU 78 N 0.00 -1.53 -1.53 -0.14 4.07 -1.26 -4.46 120.64 115.80 2k5j n GLU 78 Ca 0.00 1.53 -0.22 0.00 -0.06 0.00 0.00 57.16 58.41 2k5j n GLU 78 Cb 0.00 -2.29 -0.14 0.00 -0.06 0.00 0.00 31.44 28.96 2k5j n GLU 78 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 2k5j n GLU 79 N 1.40 0.33 0.00 5.31 2.13 -1.26 -5.20 120.64 123.36 2k5j n GLU 79 Ca -0.03 -0.35 0.15 0.00 0.66 0.00 0.00 57.16 57.59 2k5j n GLU 79 Cb 0.31 -2.40 0.87 0.00 0.27 0.00 0.00 31.44 30.49 2k5j n GLU 79 CO 0.00 0.00 0.00 -2.67 -0.41 0.00 0.00 177.13 174.05