#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 6.76 -0.65 7.83 0.01 -1.26 -3.12 114.94 124.50 2k5j s ASN 2 Ca 0.00 2.11 0.00 0.00 -0.71 0.00 0.00 52.86 54.26 2k5j s ASN 2 Cb 0.00 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 39.07 2k5j s ASN 2 CO 0.00 -0.49 0.00 -1.54 -1.51 0.00 0.00 177.10 173.56 2k5j n SER 3 N 0.07 -2.74 -1.76 -1.22 3.41 -1.26 -4.23 113.62 105.89 2k5j n SER 3 Ca 0.04 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 2k5j n SER 3 Cb 0.49 -2.40 0.00 0.00 -0.26 0.00 0.00 64.21 62.04 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 -2.63 -3.71 -1.41 1.04 7.99 -1.18 -4.92 117.00 112.17 2k5j n LEU 4 Ca -0.09 3.05 0.19 0.00 -0.01 0.00 0.00 56.01 59.15 2k5j n LEU 4 Cb 0.55 -3.15 -0.05 0.00 -0.11 0.00 0.00 43.42 40.65 2k5j n LEU 4 CO 0.10 -0.00 -0.32 0.00 -1.51 0.00 0.00 177.39 175.67 2k5j n ALA 5 N -0.28 -3.72 0.00 -1.18 0.00 -1.26 -4.73 120.51 109.33 2k5j n ALA 5 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.96 2k5j n ALA 5 Cb 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.13 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 -4.16 -0.91 1.03 0.00 0.00 -1.26 -3.18 105.19 96.71 2k5j n GLY 6 Ca -0.01 0.92 0.04 0.00 0.00 0.00 0.00 46.02 46.97 2k5j n GLY 6 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2k5j n ILE 7 N 0.00 1.10 1.16 -0.61 -5.35 -1.26 -3.95 119.36 110.45 2k5j n ILE 7 Ca 0.00 -0.64 0.06 0.00 -0.27 0.00 0.00 62.75 61.90 2k5j n ILE 7 Cb 0.00 -0.17 0.18 0.00 -1.74 0.00 0.00 39.64 37.91 2k5j n ILE 7 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 2k5j n ASP 8 N 0.41 1.46 -3.26 7.28 8.00 -1.26 -4.86 116.55 124.32 2k5j n ASP 8 Ca 0.14 -1.93 0.00 0.00 0.71 0.00 0.00 54.79 53.71 2k5j n ASP 8 Cb 0.59 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.52 2k5j n ASP 8 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 2k5j n MET 9 N 0.28 1.84 -3.84 -1.24 2.81 -1.25 -5.11 117.12 110.60 2k5j n MET 9 Ca 0.11 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.90 2k5j n MET 9 Cb 0.24 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 32.70 2k5j n MET 9 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2k5j s GLY 10 N -0.52 0.16 -0.03 3.03 0.00 -1.26 -5.17 107.32 103.54 2k5j s GLY 10 Ca 0.00 -0.55 -0.02 0.00 0.00 0.00 0.00 44.72 44.15 2k5j s GLY 10 CO 0.00 -0.61 0.13 1.09 0.00 0.00 0.00 173.10 173.72 2k5j s ARG 11 N -3.90 3.29 -0.01 2.90 1.70 -1.26 -5.11 118.95 116.56 2k5j s ARG 11 Ca 0.11 -0.35 0.01 0.00 -0.47 0.00 0.00 55.73 55.02 2k5j s ARG 11 Cb 0.02 -3.02 0.01 0.00 -0.57 0.00 0.00 34.95 31.39 2k5j s ARG 11 CO -0.04 0.68 -0.01 0.42 -1.08 0.00 0.00 175.30 175.26 2k5j s ILE 12 N -1.22 0.17 -0.21 4.99 1.01 -1.26 -5.13 121.20 119.54 2k5j s ILE 12 Ca 0.23 -0.04 -0.17 0.00 0.00 0.00 0.00 60.65 60.68 2k5j s ILE 12 Cb -0.12 -0.18 -0.04 0.00 0.01 0.00 0.00 42.46 42.13 2k5j s ILE 12 CO 0.14 0.08 0.45 -0.76 0.00 0.00 0.00 174.94 174.84 2k5j s LEU 13 N 0.26 4.13 -0.11 2.97 2.01 -1.26 -5.06 118.68 121.63 2k5j s LEU 13 Ca -0.02 0.55 0.02 0.00 0.01 0.00 0.00 54.13 54.69 2k5j s LEU 13 Cb -0.05 -2.58 -0.01 0.00 0.01 0.00 0.00 46.19 43.56 2k5j s LEU 13 CO -0.01 -0.14 -0.18 -0.76 1.01 0.00 0.00 176.35 176.27 2k5j s LEU 14 N 1.57 2.42 -0.39 1.79 2.01 -1.26 -5.10 118.68 119.72 2k5j s LEU 14 Ca 0.20 -0.42 -0.13 0.00 0.01 0.00 0.00 54.13 53.79 2k5j s LEU 14 Cb -0.15 -1.51 0.02 0.00 0.01 0.00 0.00 46.19 44.56 2k5j s LEU 14 CO 0.09 0.18 0.25 -1.81 1.01 0.00 0.00 176.35 176.07 2k5j s ASP 15 N 0.22 5.92 0.00 2.29 -0.00 -1.26 -5.06 116.67 118.78 2k5j s ASP 15 Ca -0.12 -0.90 0.00 0.00 -0.00 0.00 0.00 52.55 51.53 2k5j s ASP 15 Cb -0.16 -2.09 0.00 0.00 -0.00 0.00 0.00 42.92 40.67 2k5j s ASP 15 CO 0.06 -0.40 0.00 0.18 -0.00 0.00 0.00 175.17 175.01 2k5j n LEU 16 N 5.08 0.00 0.00 1.23 7.99 -1.26 -5.16 117.00 124.88 2k5j n LEU 16 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.88 2k5j n LEU 16 Cb 0.47 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.78 2k5j n LEU 16 CO 0.38 -0.22 0.00 -0.24 -1.51 0.00 0.00 177.39 175.81 2k5j n SER 17 N -1.47 0.55 -0.06 -1.43 2.88 -1.26 -5.09 113.62 107.76 2k5j n SER 17 Ca 0.00 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.47 2k5j n SER 17 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 2k5j n SER 17 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2k5j n ASN 18 N 0.00 3.07 0.17 -3.46 5.03 -1.26 -4.25 115.26 114.56 2k5j n ASN 18 Ca 0.00 -0.05 0.03 0.00 0.87 0.00 0.00 54.58 55.42 2k5j n ASN 18 Cb 0.00 -0.05 0.30 0.00 -1.02 0.00 0.00 39.78 39.01 2k5j n ASN 18 CO 0.00 0.00 0.00 1.05 -1.83 0.00 0.00 177.26 176.48 2k5j h GLU 19 N 0.00 0.00 -0.12 3.52 -0.00 -2.01 -2.98 114.58 112.99 2k5j h GLU 19 Ca -0.25 0.00 -0.21 0.00 -0.00 0.00 0.00 59.36 58.90 2k5j h GLU 19 Cb 1.42 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.17 2k5j h GLU 19 CO -0.03 0.45 -0.77 0.28 -0.00 0.00 0.00 179.01 178.93 2k5j h VAL 20 N 0.00 1.32 -0.84 -1.06 2.07 -1.99 -3.09 116.25 112.66 2k5j h VAL 20 Ca -0.00 -2.06 0.09 0.00 0.82 0.00 0.00 66.70 65.55 2k5j h VAL 20 Cb 0.88 2.05 -0.07 0.00 -1.52 0.00 0.00 31.29 32.63 2k5j h VAL 20 CO 0.06 0.64 0.49 0.40 0.02 0.00 0.00 177.57 179.18 2k5j h ILE 21 N 0.43 0.93 -0.61 4.57 1.08 -1.70 0.22 117.51 122.44 2k5j h ILE 21 Ca -0.05 -0.29 -0.07 0.00 -0.39 0.00 0.00 64.86 64.07 2k5j h ILE 21 Cb 1.38 0.03 -0.03 0.00 -3.07 0.00 0.00 36.82 35.13 2k5j h ILE 21 CO 0.15 0.15 0.10 0.11 -0.69 0.00 0.00 178.15 177.97 2k5j h LYS 22 N 0.84 0.98 -0.27 2.37 1.57 -1.55 0.06 116.57 120.56 2k5j h LYS 22 Ca 0.40 -0.24 -0.04 0.00 -1.87 0.00 0.00 60.65 58.89 2k5j h LYS 22 Cb 0.33 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 2k5j h LYS 22 CO -0.23 0.91 0.00 1.96 -0.57 0.00 0.00 179.45 181.51 2k5j h GLN 23 N 0.93 0.48 -0.38 3.15 4.20 -0.98 -0.87 115.11 121.64 2k5j h GLN 23 Ca 0.19 -0.15 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 2k5j h GLN 23 Cb 0.40 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 2k5j h GLN 23 CO 0.01 0.64 0.15 -0.07 -0.67 0.00 0.00 178.83 178.89 2k5j h LEU 24 N 0.27 0.52 -0.25 1.46 3.38 -0.43 -0.93 115.31 119.34 2k5j h LEU 24 Ca 0.08 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2k5j h LEU 24 Cb 0.42 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2k5j h LEU 24 CO 0.01 0.55 0.16 -0.78 0.09 0.00 0.00 178.44 178.47 2k5j h ASP 25 N 0.46 0.29 -0.48 -0.43 -0.00 -0.93 0.33 116.42 115.67 2k5j h ASP 25 Ca 0.13 -0.02 0.01 0.00 -0.00 0.00 0.00 57.03 57.15 2k5j h ASP 25 Cb 0.19 -0.07 -0.03 0.00 -0.00 0.00 0.00 39.33 39.42 2k5j h ASP 25 CO -0.01 0.22 0.31 -0.78 -0.00 0.00 0.00 179.24 178.98 2k5j h ASP 26 N 0.33 0.52 0.33 2.28 -0.00 -1.01 -1.10 116.42 117.76 2k5j h ASP 26 Ca 0.09 -0.01 -0.09 0.00 -0.00 0.00 0.00 57.03 57.03 2k5j h ASP 26 Cb -0.02 -0.12 -0.01 0.00 -0.00 0.00 0.00 39.33 39.18 2k5j h ASP 26 CO -0.02 0.37 -0.39 -0.07 -0.00 0.00 0.00 179.24 179.14 2k5j h LEU 27 N 0.62 0.08 -0.44 2.28 3.38 -0.86 -2.75 115.31 117.62 2k5j h LEU 27 Ca 0.18 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 2k5j h LEU 27 Cb -0.04 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2k5j h LEU 27 CO -0.06 0.47 -0.06 -0.33 0.09 0.00 0.00 178.44 178.55 2k5j h GLU 28 N 0.07 0.82 -0.60 1.13 5.08 0.52 -1.26 114.58 120.34 2k5j h GLU 28 Ca 0.01 -0.29 -0.04 0.00 -1.00 0.00 0.00 59.36 58.04 2k5j h GLU 28 Cb 0.72 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 2k5j h GLU 28 CO 0.05 0.91 0.22 0.28 -1.00 0.00 0.00 179.01 179.48 2k5j h VAL 29 N 0.65 1.23 -0.26 3.13 2.07 -1.06 1.14 116.25 123.16 2k5j h VAL 29 Ca 0.12 -0.75 -0.03 0.00 0.82 0.00 0.00 66.70 66.86 2k5j h VAL 29 Cb 0.58 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 2k5j h VAL 29 CO 0.03 0.29 0.05 1.56 0.02 0.00 0.00 177.57 179.52 2k5j h GLN 30 N 0.83 0.43 0.00 1.57 4.20 -1.38 -2.66 115.11 118.11 2k5j h GLN 30 Ca 0.20 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.80 2k5j h GLN 30 Cb 0.23 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.96 2k5j h GLN 30 CO -0.01 0.54 -0.05 0.54 -0.67 0.00 0.00 178.83 179.18 2k5j n ARG 31 N -4.68 0.15 -3.51 1.46 5.12 -0.48 -4.92 116.66 109.80 2k5j n ARG 31 Ca -0.03 0.11 -0.26 0.00 -1.93 0.00 0.00 57.85 55.75 2k5j n ARG 31 Cb 0.20 -1.67 0.04 0.00 -1.16 0.00 0.00 32.46 29.87 2k5j n ARG 31 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2k5j n ASN 32 N -1.92 -5.40 -4.11 0.55 4.13 0.39 -4.97 115.26 103.93 2k5j n ASN 32 Ca 0.06 -0.52 -0.15 0.00 1.68 0.00 0.00 54.58 55.65 2k5j n ASN 32 Cb 0.39 -4.32 -0.12 0.00 -1.54 0.00 0.00 39.78 34.19 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 -7.01 2.28 0.70 3.41 1.43 -0.83 -5.02 118.68 113.65 2k5j s LEU 33 Ca 0.51 -0.60 -0.15 0.00 -1.03 0.00 0.00 54.13 52.86 2k5j s LEU 33 Cb -0.24 -0.29 0.02 0.00 0.03 0.00 0.00 46.19 45.71 2k5j s LEU 33 CO 0.63 -0.17 1.16 -2.16 0.23 0.00 0.00 176.35 176.04 2k5j s PRO 34 N -1.76 2.40 0.18 1.29 0.04 -1.26 -4.63 135.00 131.27 2k5j s PRO 34 Ca -0.06 1.58 -0.12 0.00 0.04 0.00 0.00 61.00 62.44 2k5j s PRO 34 Cb -0.09 -1.88 0.09 0.00 0.04 0.00 0.00 34.50 32.65 2k5j s PRO 34 CO 0.01 -1.60 1.80 0.07 0.04 0.00 0.00 177.00 177.33 2k5j h ARG 35 N -0.20 0.83 -1.01 4.56 0.11 -1.97 -2.22 114.38 114.49 2k5j h ARG 35 Ca -0.47 -0.09 0.23 0.00 0.10 0.00 0.00 59.98 59.75 2k5j h ARG 35 Cb 1.27 -0.17 -0.11 0.00 1.11 0.00 0.00 29.97 32.07 2k5j h ARG 35 CO 0.51 0.62 0.61 0.00 0.10 0.00 0.00 179.97 181.81 2k5j h ALA 36 N 1.17 1.83 -0.39 0.08 0.00 -1.99 0.54 119.26 120.50 2k5j h ALA 36 Ca 0.21 0.10 -0.16 0.00 0.00 0.00 0.00 54.91 55.06 2k5j h ALA 36 Cb 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2k5j h ALA 36 CO -0.04 -0.26 -0.38 -0.44 0.00 0.00 0.00 179.25 178.13 2k5j h ASP 37 N 0.61 1.01 -0.46 0.00 3.45 -1.78 -1.33 116.42 117.92 2k5j h ASP 37 Ca 0.61 -0.46 -0.09 0.00 0.43 0.00 0.00 57.03 57.52 2k5j h ASP 37 Cb 1.17 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 39.64 2k5j h ASP 37 CO -0.41 1.27 -0.06 -0.07 -1.57 0.00 0.00 179.24 178.40 2k5j h LEU 38 N 0.77 0.85 -0.39 1.55 3.38 -0.13 -2.31 115.31 119.04 2k5j h LEU 38 Ca 0.06 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 2k5j h LEU 38 Cb 0.98 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 2k5j h LEU 38 CO 0.10 0.98 0.09 -0.07 0.09 0.00 0.00 178.44 179.63 2k5j h LEU 39 N 0.69 0.59 -0.74 1.67 3.38 -0.09 0.80 115.31 121.61 2k5j h LEU 39 Ca 0.12 -0.24 0.05 0.00 0.09 0.00 0.00 57.88 57.90 2k5j h LEU 39 Cb 0.59 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 2k5j h LEU 39 CO 0.04 0.68 0.45 -0.09 0.09 0.00 0.00 178.44 179.60 2k5j h ARG 40 N 0.48 0.83 -0.27 1.13 2.43 -1.17 0.27 114.38 118.08 2k5j h ARG 40 Ca 0.12 -0.05 -0.16 0.00 -0.81 0.00 0.00 59.98 59.08 2k5j h ARG 40 Cb 0.32 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 2k5j h ARG 40 CO 0.00 0.55 -0.49 0.93 -1.51 0.00 0.00 179.97 179.45 2k5j h GLU 41 N 0.86 0.73 -0.51 0.20 5.08 -1.21 -1.80 114.58 117.92 2k5j h GLU 41 Ca 0.31 -0.43 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 2k5j h GLU 41 Cb 0.10 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 2k5j h GLU 41 CO -0.14 1.06 0.30 0.00 -1.00 0.00 0.00 179.01 179.22 2k5j h ALA 42 N 0.87 0.65 0.26 3.43 0.00 -0.03 0.17 119.26 124.62 2k5j h ALA 42 Ca 0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2k5j h ALA 42 Cb 1.06 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2k5j h ALA 42 CO 0.10 0.15 -0.13 0.28 0.00 0.00 0.00 179.25 179.66 2k5j h VAL 43 N 0.68 0.77 -0.70 0.00 2.07 -0.94 -0.15 116.25 117.99 2k5j h VAL 43 Ca 0.18 -0.64 0.11 0.00 0.82 0.00 0.00 66.70 67.17 2k5j h VAL 43 Cb 0.01 1.12 -0.08 0.00 -1.52 0.00 0.00 31.29 30.82 2k5j h VAL 43 CO -0.03 0.13 0.30 -0.78 0.02 0.00 0.00 177.57 177.21 2k5j h ASP 44 N -0.70 0.34 -0.37 0.57 3.58 -1.26 0.62 116.42 119.19 2k5j h ASP 44 Ca -0.04 0.08 -0.07 0.00 0.42 0.00 0.00 57.03 57.43 2k5j h ASP 44 Cb 0.48 0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.55 2k5j h ASP 44 CO 0.06 0.17 0.02 1.56 -2.88 0.00 0.00 179.24 178.17 2k5j h GLN 45 N 0.50 0.74 -0.77 0.28 4.20 -0.61 -2.71 115.11 116.74 2k5j h GLN 45 Ca 0.36 -0.19 -0.05 0.00 0.06 0.00 0.00 58.65 58.84 2k5j h GLN 45 Cb 0.46 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 2k5j h GLN 45 CO -0.32 0.74 0.29 -0.92 -0.67 0.00 0.00 178.83 177.94 2k5j h TYR 46 N 0.70 1.19 -0.37 2.96 3.20 0.99 -2.59 116.97 123.05 2k5j h TYR 46 Ca 0.14 -0.10 0.03 0.00 3.14 0.00 0.00 58.73 61.94 2k5j h TYR 46 Cb 0.41 -0.35 -0.03 0.00 1.54 0.00 0.00 36.73 38.30 2k5j h TYR 46 CO 0.02 0.91 0.19 -0.07 -1.64 0.00 0.00 178.16 177.57 2k5j h LEU 47 N 1.12 0.27 -0.70 2.82 3.38 -0.83 0.15 115.31 121.53 2k5j h LEU 47 Ca 0.25 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.29 2k5j h LEU 47 Cb 0.25 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 2k5j h LEU 47 CO -0.02 0.20 0.40 0.40 0.09 0.00 0.00 178.44 179.52 2k5j h ILE 48 N 0.38 1.00 -0.49 1.22 5.03 -1.41 -0.85 117.51 122.41 2k5j h ILE 48 Ca 0.16 -0.26 -0.05 0.00 -0.12 0.00 0.00 64.86 64.58 2k5j h ILE 48 Cb 0.06 0.18 -0.02 0.00 -3.03 0.00 0.00 36.82 34.01 2k5j h ILE 48 CO -0.11 0.14 0.08 0.78 -0.68 0.00 0.00 178.15 178.36 2k5j h ASN 49 N 0.75 0.71 -0.22 1.72 2.35 -0.95 -1.82 115.58 118.12 2k5j h ASN 49 Ca 0.30 -0.14 -0.09 0.00 -0.55 0.00 0.00 56.30 55.82 2k5j h ASN 49 Cb 0.15 -0.19 -0.06 0.00 0.05 0.00 0.00 38.32 38.28 2k5j h ASN 49 CO -0.16 0.73 0.12 0.00 -1.65 0.00 0.00 177.43 176.46 2k5j n GLN 50 N -4.26 1.53 0.00 0.81 3.00 0.44 -3.64 117.38 115.25 2k5j n GLN 50 Ca 0.03 -0.78 0.11 0.00 -0.01 0.00 0.00 57.00 56.35 2k5j n GLN 50 Cb 0.24 -1.42 0.07 0.00 0.00 0.00 0.00 30.24 29.14 2k5j n GLN 50 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 2k5j n SER 51 N 0.10 1.87 -3.37 1.08 3.41 -0.68 -4.77 113.62 111.27 2k5j n SER 51 Ca 0.13 -1.42 -0.14 0.00 -0.26 0.00 0.00 58.87 57.18 2k5j n SER 51 Cb 0.71 0.40 -0.08 0.00 -0.26 0.00 0.00 64.21 64.98 2k5j n SER 51 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2k5j s GLN 52 N -2.47 0.35 0.00 4.33 0.74 -1.24 -4.98 119.66 116.40 2k5j s GLN 52 Ca 0.20 -0.03 0.18 0.00 0.05 0.00 0.00 55.36 55.77 2k5j s GLN 52 Cb 0.18 -0.54 0.43 0.00 1.10 0.00 0.00 33.01 34.18 2k5j s GLN 52 CO 0.55 -1.01 1.35 0.25 -0.55 0.00 0.00 175.29 175.88 2k5j n THR 53 N 5.33 0.75 -0.30 -0.34 -2.24 -1.26 -4.48 114.28 111.74 2k5j n THR 53 Ca -0.01 -0.87 0.03 0.00 -2.27 0.00 0.00 64.05 60.92 2k5j n THR 53 Cb 0.47 0.72 0.23 0.00 -2.10 0.00 0.00 70.33 69.66 2k5j n THR 53 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k5j h ALA 54 N 3.53 1.49 -4.03 6.98 0.00 -2.00 -3.41 119.26 121.82 2k5j h ALA 54 Ca 0.00 -0.03 -0.51 0.00 0.00 0.00 0.00 54.91 54.37 2k5j h ALA 54 Cb 0.87 -0.28 -0.27 0.00 0.00 0.00 0.00 17.79 18.11 2k5j h ALA 54 CO 0.00 0.39 -0.82 1.03 0.00 0.00 0.00 179.25 179.85 2k5j s ARG 55 N -5.91 1.20 0.08 0.00 1.81 -1.26 -5.15 118.95 109.71 2k5j s ARG 55 Ca -0.11 -0.74 -0.07 0.00 -1.72 0.00 0.00 55.73 53.08 2k5j s ARG 55 Cb 0.19 -1.22 -0.01 0.00 -0.45 0.00 0.00 34.95 33.47 2k5j s ARG 55 CO 0.80 0.32 0.14 -0.08 -0.68 0.00 0.00 175.30 175.79 2k5j s THR 56 N -0.66 0.16 -0.10 0.02 -1.32 -1.26 -5.05 115.64 107.42 2k5j s THR 56 Ca 0.05 -1.29 0.03 0.00 -1.21 0.00 0.00 61.69 59.26 2k5j s THR 56 Cb -0.07 -1.34 -0.01 0.00 -1.51 0.00 0.00 72.50 69.57 2k5j s THR 56 CO 0.01 -0.71 -0.19 -0.55 -2.21 0.00 0.00 174.62 170.97 2k5j s SER 57 N -2.80 3.58 0.43 8.08 0.15 -1.26 -5.11 113.70 116.77 2k5j s SER 57 Ca 0.04 -0.41 -0.23 0.00 0.70 0.00 0.00 55.95 56.06 2k5j s SER 57 Cb 0.05 -1.31 -0.09 0.00 -1.71 0.00 0.00 66.02 62.96 2k5j s SER 57 CO -0.10 0.20 1.05 0.68 1.20 0.00 0.00 173.24 176.27 2k5j s VAL 58 N 0.11 3.72 0.22 4.45 -7.23 -1.26 -5.00 120.40 115.41 2k5j s VAL 58 Ca -0.09 1.22 -0.30 0.00 -1.81 0.00 0.00 61.98 61.00 2k5j s VAL 58 Cb -0.15 -3.59 -0.09 0.00 0.56 0.00 0.00 36.38 33.11 2k5j s VAL 58 CO 0.06 -0.08 1.34 -2.16 -0.31 0.00 0.00 175.10 173.94 2k5j s PRO 59 N -2.77 4.36 0.13 4.82 0.04 -1.26 -4.94 135.00 135.38 2k5j s PRO 59 Ca 0.61 2.12 -0.12 0.00 0.04 0.00 0.00 61.00 63.64 2k5j s PRO 59 Cb -0.20 -3.17 -0.06 0.00 0.04 0.00 0.00 34.50 31.11 2k5j s PRO 59 CO 0.25 -0.28 1.46 0.78 0.04 0.00 0.00 177.00 179.25 2k5j h GLY 60 N 5.18 0.92 -6.31 0.56 0.00 -2.08 -3.43 103.07 97.92 2k5j h GLY 60 Ca -0.45 -0.94 -0.44 0.00 0.00 0.00 0.00 47.33 45.50 2k5j h GLY 60 CO 0.77 0.85 -0.78 -1.50 0.00 0.00 0.00 176.54 175.87 2k5j s ILE 61 N -4.40 0.65 -0.35 2.60 -1.16 -1.26 -5.10 121.20 112.19 2k5j s ILE 61 Ca -0.12 -0.16 -0.01 0.00 -0.51 0.00 0.00 60.65 59.86 2k5j s ILE 61 Cb 0.10 -0.67 0.12 0.00 0.61 0.00 0.00 42.46 42.62 2k5j s ILE 61 CO 0.86 0.26 0.18 0.86 -2.81 0.00 0.00 174.94 174.29 2k5j s TRP 62 N 1.09 0.96 0.19 3.50 -0.00 -1.26 -4.98 118.94 118.43 2k5j s TRP 62 Ca -0.08 -1.59 -0.09 0.00 -0.00 0.00 0.00 56.10 54.34 2k5j s TRP 62 Cb -0.14 -1.18 0.08 0.00 -0.00 0.00 0.00 33.47 32.23 2k5j s TRP 62 CO -0.01 -0.83 1.66 1.96 -0.00 0.00 0.00 176.95 179.74 2k5j h GLN 63 N 7.44 1.10 0.00 5.86 1.08 -2.02 -3.47 115.11 125.11 2k5j h GLN 63 Ca -0.04 -0.32 0.00 0.00 -1.45 0.00 0.00 58.65 56.84 2k5j h GLN 63 Cb 0.98 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.29 2k5j h GLN 63 CO 0.37 1.03 0.00 0.41 -0.95 0.00 0.00 178.83 179.69 2k5j n GLY 64 N -0.50 2.44 3.42 3.46 0.00 -1.26 -4.84 105.19 107.91 2k5j n GLY 64 Ca 0.04 -0.51 0.02 0.00 0.00 0.00 0.00 46.02 45.56 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 1.93 4.28 0.15 0.00 0.41 -1.26 -5.01 118.70 119.21 2k5j s GLU 66 Ca -0.04 0.96 -0.31 0.00 -0.41 0.00 0.00 54.97 55.17 2k5j s GLU 66 Cb -0.04 -2.73 -0.10 0.00 -1.78 0.00 0.00 34.13 29.49 2k5j s GLU 66 CO -0.15 0.29 1.56 -1.21 -0.49 0.00 0.00 175.26 175.26 2k5j s GLU 67 N -2.26 4.22 -0.47 1.61 0.41 -1.26 -4.96 118.70 116.00 2k5j s GLU 67 Ca 0.48 2.34 -0.21 0.00 -0.41 0.00 0.00 54.97 57.17 2k5j s GLU 67 Cb -0.15 -3.19 0.03 0.00 -1.78 0.00 0.00 34.13 29.04 2k5j s GLU 67 CO 0.20 -0.61 0.69 0.34 -0.49 0.00 0.00 175.26 175.40 2k5j s ASP 68 N 1.23 6.32 0.55 -0.19 -1.08 -1.26 -5.04 116.67 117.20 2k5j s ASP 68 Ca 0.70 -0.43 -0.18 0.00 -0.52 0.00 0.00 52.55 52.12 2k5j s ASP 68 Cb -0.43 -2.33 -0.05 0.00 -1.46 0.00 0.00 42.92 38.64 2k5j s ASP 68 CO 0.31 -0.87 1.08 -0.83 0.52 0.00 0.00 175.17 175.38 2k5j s GLY 69 N 2.24 2.40 -0.00 2.66 0.00 -1.26 -5.06 107.32 108.30 2k5j s GLY 69 Ca 0.23 0.61 0.02 0.00 0.00 0.00 0.00 44.72 45.57 2k5j s GLY 69 CO 0.18 0.94 -0.05 0.54 0.00 0.00 0.00 173.10 174.71 2k5j s VAL 70 N -2.09 0.39 -0.59 1.40 0.11 -1.26 -5.08 120.40 113.28 2k5j s VAL 70 Ca 0.68 -0.21 -0.26 0.00 -2.93 0.00 0.00 61.98 59.26 2k5j s VAL 70 Cb -0.19 -0.34 -0.06 0.00 -1.53 0.00 0.00 36.38 34.26 2k5j s VAL 70 CO 0.29 0.11 2.23 -1.61 -3.33 0.00 0.00 175.10 172.79 2k5j s GLU 71 N -0.09 2.20 0.00 1.54 8.01 -1.26 -4.76 118.70 124.34 2k5j s GLU 71 Ca 0.02 0.95 0.05 0.00 0.01 0.00 0.00 54.97 56.00 2k5j s GLU 71 Cb -0.02 -4.59 0.26 0.00 -4.31 0.00 0.00 34.13 25.46 2k5j s GLU 71 CO -0.00 -3.31 0.93 0.66 0.01 0.00 0.00 175.26 173.55 2k5j n TYR 72 N 15.34 0.00 0.00 1.61 4.02 -1.26 -4.78 117.16 132.09 2k5j n TYR 72 Ca 0.34 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.23 2k5j n TYR 72 Cb 0.52 -0.21 0.00 0.00 -0.02 0.00 0.00 39.34 39.63 2k5j n TYR 72 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 2k5j n GLN 73 N -1.21 0.00 -0.04 -0.72 -0.06 -1.26 -4.87 117.38 109.21 2k5j n GLN 73 Ca 0.03 0.00 0.01 0.00 -2.00 0.00 0.00 57.00 55.03 2k5j n GLN 73 Cb 0.03 -0.33 -0.00 0.00 -4.06 0.00 0.00 30.24 25.88 2k5j n GLN 73 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 2k5j n ARG 74 N 0.00 -0.08 -4.08 3.69 1.74 -1.26 -4.89 116.66 111.78 2k5j n ARG 74 Ca 0.00 0.06 -0.12 0.00 -0.77 0.00 0.00 57.85 57.01 2k5j n ARG 74 Cb 0.00 -0.10 -0.11 0.00 -1.02 0.00 0.00 32.46 31.23 2k5j n ARG 74 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2k5j s LYS 75 N -0.09 0.57 -0.40 5.56 1.02 -1.26 -5.09 119.74 120.05 2k5j s LYS 75 Ca 0.00 -0.87 0.08 0.00 0.02 0.00 0.00 55.97 55.20 2k5j s LYS 75 Cb 0.00 -0.24 0.26 0.00 -0.52 0.00 0.00 37.83 37.33 2k5j s LYS 75 CO 0.00 0.03 0.54 1.47 -0.92 0.00 0.00 175.35 176.47 2k5j n LEU 76 N 1.15 0.34 -0.23 3.17 -0.00 -1.26 -4.95 117.00 115.22 2k5j n LEU 76 Ca -0.21 -4.74 -0.08 0.00 -0.00 0.00 0.00 56.01 50.99 2k5j n LEU 76 Cb 0.56 0.60 0.04 0.00 -0.00 0.00 0.00 43.42 44.61 2k5j n LEU 76 CO 0.23 2.08 0.94 0.03 -0.00 0.00 0.00 177.39 180.67 2k5j h ARG 77 N 3.94 1.02 -2.31 1.47 3.08 -2.04 -3.48 114.38 116.07 2k5j h ARG 77 Ca 0.08 -0.24 0.26 0.00 0.07 0.00 0.00 59.98 60.15 2k5j h ARG 77 Cb 0.88 -0.14 -0.08 0.00 0.08 0.00 0.00 29.97 30.71 2k5j h ARG 77 CO 0.48 0.91 -0.43 0.39 -1.07 0.00 0.00 179.97 180.25 2k5j n GLU 78 N -4.32 -2.03 -4.03 0.04 1.02 -1.26 -4.93 120.64 105.13 2k5j n GLU 78 Ca 0.04 1.39 -0.12 0.00 -0.02 0.00 0.00 57.16 58.44 2k5j n GLU 78 Cb 0.24 -2.50 -0.12 0.00 -0.02 0.00 0.00 31.44 29.03 2k5j n GLU 78 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2k5j s GLU 79 N -2.19 0.35 0.00 3.49 2.02 -1.26 -5.32 118.70 115.79 2k5j s GLU 79 Ca 0.00 -0.45 0.31 0.00 0.02 0.00 0.00 54.97 54.86 2k5j s GLU 79 Cb 0.00 -0.17 1.80 0.00 0.10 0.00 0.00 34.13 35.86 2k5j s GLU 79 CO 0.00 0.03 2.17 0.91 0.02 0.00 0.00 175.26 178.39