#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5j h ASN 2 N 0.00 0.88 -5.20 7.83 -0.73 -2.11 -3.48 115.58 112.76 2k5j h ASN 2 Ca 0.00 -0.13 0.00 0.00 1.87 0.00 0.00 56.30 58.04 2k5j h ASN 2 Cb 0.00 -0.22 -0.02 0.00 0.27 0.00 0.00 38.32 38.34 2k5j h ASN 2 CO 0.00 0.76 -1.10 -1.20 -0.37 0.00 0.00 177.43 175.52 2k5j n SER 3 N -4.47 -6.61 -0.22 1.15 7.64 -1.26 -4.89 113.62 104.96 2k5j n SER 3 Ca 0.05 1.36 -0.07 0.00 1.01 0.00 0.00 58.87 61.22 2k5j n SER 3 Cb 0.12 -5.08 0.03 0.00 -1.01 0.00 0.00 64.21 58.28 2k5j n SER 3 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2k5j h LEU 4 N 3.31 0.82 0.00 -3.43 3.38 -2.08 -3.44 115.31 113.88 2k5j h LEU 4 Ca -0.10 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.63 2k5j h LEU 4 Cb 0.29 -0.21 0.05 0.00 0.09 0.00 0.00 40.66 40.88 2k5j h LEU 4 CO 0.08 0.75 -0.04 0.00 0.09 0.00 0.00 178.44 179.31 2k5j n ALA 5 N -2.36 -1.27 -0.74 1.53 0.00 -1.26 -4.38 120.51 112.02 2k5j n ALA 5 Ca 0.04 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.11 2k5j n ALA 5 Cb 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.56 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 -0.92 0.55 3.50 0.00 0.00 -1.26 -5.01 105.19 102.04 2k5j n GLY 6 Ca 0.03 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.00 4.48 -2.06 -0.61 1.01 -1.26 -4.87 121.20 115.90 2k5j s ILE 7 Ca 0.00 0.08 0.11 0.00 0.00 0.00 0.00 60.65 60.84 2k5j s ILE 7 Cb 0.00 -4.50 0.30 0.00 0.01 0.00 0.00 42.46 38.27 2k5j s ILE 7 CO 0.00 -1.07 1.31 -0.90 0.00 0.00 0.00 174.94 174.28 2k5j n ASP 8 N 7.21 1.25 -3.92 3.58 5.75 -1.26 -4.86 116.55 124.30 2k5j n ASP 8 Ca -0.00 -1.88 -0.19 0.00 -0.01 0.00 0.00 54.79 52.71 2k5j n ASP 8 Cb 0.47 -0.13 -0.01 0.00 -1.03 0.00 0.00 41.12 40.42 2k5j n ASP 8 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 2k5j n MET 9 N 0.14 0.98 -4.11 0.11 2.81 -1.26 -5.15 117.12 110.63 2k5j n MET 9 Ca 0.10 -2.39 -0.16 0.00 -1.81 0.00 0.00 57.70 53.45 2k5j n MET 9 Cb 0.22 0.33 -0.15 0.00 -0.71 0.00 0.00 33.22 32.92 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 -3.29 0.23 -0.09 3.03 0.00 -1.26 -5.15 107.32 100.78 2k5j s GLY 10 Ca 0.17 -0.17 -0.10 0.00 0.00 0.00 0.00 44.72 44.62 2k5j s GLY 10 CO 0.11 -0.10 0.23 1.09 0.00 0.00 0.00 173.10 174.43 2k5j s ARG 11 N -0.01 3.71 0.04 2.90 1.70 -1.26 -5.10 118.95 120.94 2k5j s ARG 11 Ca 0.01 0.04 0.05 0.00 -0.47 0.00 0.00 55.73 55.36 2k5j s ARG 11 Cb -0.03 -3.24 -0.02 0.00 -0.57 0.00 0.00 34.95 31.09 2k5j s ARG 11 CO -0.00 0.67 -0.13 0.42 -1.08 0.00 0.00 175.30 175.17 2k5j s ILE 12 N -0.80 1.04 -0.22 4.99 1.01 -1.26 -5.13 121.20 120.83 2k5j s ILE 12 Ca 0.17 -1.02 -0.09 0.00 0.00 0.00 0.00 60.65 59.71 2k5j s ILE 12 Cb -0.13 -0.97 -0.04 0.00 0.01 0.00 0.00 42.46 41.33 2k5j s ILE 12 CO 0.06 -0.06 0.11 -0.76 0.00 0.00 0.00 174.94 174.30 2k5j s LEU 13 N -1.23 3.93 -0.05 2.97 1.02 -1.26 -5.09 118.68 118.98 2k5j s LEU 13 Ca 0.00 0.07 0.05 0.00 0.02 0.00 0.00 54.13 54.27 2k5j s LEU 13 Cb -0.08 -2.03 -0.00 0.00 0.02 0.00 0.00 46.19 44.09 2k5j s LEU 13 CO 0.01 0.10 -0.19 -0.22 0.02 0.00 0.00 176.35 176.06 2k5j s LEU 14 N 0.85 1.95 -0.24 1.79 2.96 -1.26 -5.12 118.68 119.61 2k5j s LEU 14 Ca 0.06 -0.41 -0.14 0.00 -0.22 0.00 0.00 54.13 53.42 2k5j s LEU 14 Cb -0.13 -1.10 -0.04 0.00 0.50 0.00 0.00 46.19 45.42 2k5j s LEU 14 CO 0.03 0.17 0.34 1.51 -1.32 0.00 0.00 176.35 177.08 2k5j s ASP 15 N 0.04 6.28 0.18 3.68 -4.77 -1.26 -5.07 116.67 115.75 2k5j s ASP 15 Ca -0.05 0.32 0.02 0.00 -3.30 0.00 0.00 52.55 49.54 2k5j s ASP 15 Cb -0.13 -2.20 0.02 0.00 -1.09 0.00 0.00 42.92 39.52 2k5j s ASP 15 CO 0.03 -0.11 0.14 0.18 0.70 0.00 0.00 175.17 176.12 2k5j n LEU 16 N 4.88 0.00 -4.17 2.11 7.99 -1.26 -5.15 117.00 121.41 2k5j n LEU 16 Ca -0.10 -0.96 -0.21 0.00 -0.01 0.00 0.00 56.01 54.73 2k5j n LEU 16 Cb 0.51 -0.02 -0.14 0.00 -0.11 0.00 0.00 43.42 43.67 2k5j n LEU 16 CO 0.38 -0.38 -0.48 -0.55 -1.51 0.00 0.00 177.39 174.85 2k5j s SER 17 N -2.09 1.86 0.33 -1.43 0.15 -1.26 -5.03 113.70 106.23 2k5j s SER 17 Ca 0.11 -0.47 0.07 0.00 0.70 0.00 0.00 55.95 56.36 2k5j s SER 17 Cb -0.01 -0.13 0.75 0.00 -1.71 0.00 0.00 66.02 64.92 2k5j s SER 17 CO 0.07 0.07 1.83 0.78 1.20 0.00 0.00 173.24 177.19 2k5j h ASN 18 N 4.94 0.74 -0.48 5.45 -0.26 -2.01 0.48 115.58 124.44 2k5j h ASN 18 Ca -0.39 0.06 -0.10 0.00 -0.56 0.00 0.00 56.30 55.30 2k5j h ASN 18 Cb 1.17 -0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 38.33 2k5j h ASN 18 CO 0.44 0.35 -0.10 -0.08 -1.06 0.00 0.00 177.43 176.98 2k5j h GLU 19 N 0.77 0.92 -0.21 0.81 4.81 -2.00 -2.70 114.58 116.97 2k5j h GLU 19 Ca 0.50 -0.34 -0.09 0.00 -0.13 0.00 0.00 59.36 59.29 2k5j h GLU 19 Cb 0.75 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.07 2k5j h GLU 19 CO -0.27 1.00 -0.23 0.28 -0.73 0.00 0.00 179.01 179.06 2k5j h VAL 20 N 0.77 1.33 -0.96 0.32 2.07 -1.37 -2.94 116.25 115.46 2k5j h VAL 20 Ca 0.12 -1.41 0.16 0.00 0.82 0.00 0.00 66.70 66.40 2k5j h VAL 20 Cb 0.65 1.75 -0.09 0.00 -1.52 0.00 0.00 31.29 32.08 2k5j h VAL 20 CO 0.04 0.43 0.61 0.40 0.02 0.00 0.00 177.57 179.07 2k5j h ILE 21 N 0.22 0.79 -0.59 4.57 2.04 -0.12 0.27 117.51 124.68 2k5j h ILE 21 Ca 0.03 -0.26 -0.08 0.00 1.00 0.00 0.00 64.86 65.56 2k5j h ILE 21 Cb 0.79 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 2k5j h ILE 21 CO 0.06 0.14 0.06 0.11 0.00 0.00 0.00 178.15 178.51 2k5j h LYS 22 N 0.75 0.98 -0.11 2.37 1.57 -1.38 -0.87 116.57 119.88 2k5j h LYS 22 Ca 0.51 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 59.00 2k5j h LYS 22 Cb 0.80 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.99 2k5j h LYS 22 CO -0.28 0.93 -0.00 1.96 -0.57 0.00 0.00 179.45 181.50 2k5j h GLN 23 N 0.92 0.19 -0.71 3.15 4.20 -0.40 -2.38 115.11 120.08 2k5j h GLN 23 Ca 0.18 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.83 2k5j h GLN 23 Cb 0.45 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.18 2k5j h GLN 23 CO 0.02 0.44 0.44 -0.07 -0.67 0.00 0.00 178.83 178.99 2k5j h LEU 24 N -0.08 0.84 -0.48 1.46 3.38 -0.87 -2.04 115.31 117.51 2k5j h LEU 24 Ca 0.03 -0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.00 2k5j h LEU 24 Cb 0.36 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 2k5j h LEU 24 CO 0.01 0.64 0.22 -0.78 0.09 0.00 0.00 178.44 178.61 2k5j h ASP 25 N 0.96 0.30 -0.24 -0.43 3.58 -1.08 1.13 116.42 120.64 2k5j h ASP 25 Ca 0.26 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.74 2k5j h ASP 25 Cb -0.06 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 2k5j h ASP 25 CO -0.05 0.21 0.16 -0.78 -2.88 0.00 0.00 179.24 175.90 2k5j h ASP 26 N 0.44 0.28 0.48 2.28 -0.00 -1.03 0.18 116.42 119.05 2k5j h ASP 26 Ca 0.22 -0.01 -0.12 0.00 -0.00 0.00 0.00 57.03 57.12 2k5j h ASP 26 Cb 0.16 -0.07 -0.02 0.00 -0.00 0.00 0.00 39.33 39.40 2k5j h ASP 26 CO -0.17 0.21 -0.53 -0.07 -0.00 0.00 0.00 179.24 178.67 2k5j h LEU 27 N 0.33 0.06 -0.30 2.28 4.07 -0.85 -2.58 115.31 118.31 2k5j h LEU 27 Ca 0.09 -0.03 -0.16 0.00 0.08 0.00 0.00 57.88 57.86 2k5j h LEU 27 Cb -0.03 -0.02 -0.00 0.00 1.08 0.00 0.00 40.66 41.69 2k5j h LEU 27 CO -0.02 0.58 -0.42 -0.08 -1.08 0.00 0.00 178.44 177.42 2k5j h GLU 28 N 0.04 0.82 -0.46 1.13 4.81 0.19 -1.50 114.58 119.61 2k5j h GLU 28 Ca -0.00 -0.47 -0.05 0.00 -0.13 0.00 0.00 59.36 58.70 2k5j h GLU 28 Cb 0.95 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.35 2k5j h GLU 28 CO 0.07 1.11 0.08 0.28 -0.73 0.00 0.00 179.01 179.82 2k5j h VAL 29 N 0.59 1.25 -0.63 0.32 2.07 -0.59 -0.47 116.25 118.79 2k5j h VAL 29 Ca 0.03 -0.90 -0.09 0.00 0.82 0.00 0.00 66.70 66.57 2k5j h VAL 29 Cb 1.01 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 2k5j h VAL 29 CO 0.10 0.31 0.05 1.56 0.02 0.00 0.00 177.57 179.61 2k5j h GLN 30 N 0.63 1.07 0.00 1.57 4.20 -1.45 -2.40 115.11 118.73 2k5j h GLN 30 Ca 0.14 -0.32 0.00 0.00 0.06 0.00 0.00 58.65 58.53 2k5j h GLN 30 Cb 0.38 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.05 2k5j h GLN 30 CO 0.01 1.02 0.00 0.00 -0.67 0.00 0.00 178.83 179.19 2k5j h ARG 31 N 0.98 0.00 -5.50 1.46 2.47 -1.11 -3.47 114.38 109.22 2k5j h ARG 31 Ca 0.18 0.00 -0.41 0.00 -1.26 0.00 0.00 59.98 58.49 2k5j h ARG 31 Cb 0.50 0.00 0.08 0.00 -1.65 0.00 0.00 29.97 28.90 2k5j h ARG 31 CO 0.02 0.00 -0.67 0.09 0.56 0.00 0.00 179.97 179.98 2k5j n ASN 32 N -3.06 -5.98 -4.05 7.04 3.02 -0.20 -4.98 115.26 107.05 2k5j n ASN 32 Ca 0.01 -0.49 -0.10 0.00 -0.03 0.00 0.00 54.58 53.97 2k5j n ASN 32 Cb 0.35 -4.75 -0.11 0.00 -0.61 0.00 0.00 39.78 34.66 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 -7.09 2.34 0.53 3.41 1.43 -1.16 -5.07 118.68 113.06 2k5j s LEU 33 Ca 0.51 -0.70 -0.22 0.00 -1.03 0.00 0.00 54.13 52.68 2k5j s LEU 33 Cb -0.23 0.04 -0.05 0.00 0.03 0.00 0.00 46.19 45.97 2k5j s LEU 33 CO 0.63 -0.37 1.34 -2.16 0.23 0.00 0.00 176.35 176.02 2k5j s PRO 34 N -2.42 3.26 0.19 1.29 0.04 -1.26 -4.78 135.00 131.33 2k5j s PRO 34 Ca -0.05 2.19 -0.12 0.00 0.04 0.00 0.00 61.00 63.06 2k5j s PRO 34 Cb -0.03 -2.31 0.11 0.00 0.04 0.00 0.00 34.50 32.30 2k5j s PRO 34 CO -0.03 -1.08 1.85 -0.09 0.04 0.00 0.00 177.00 177.69 2k5j h ARG 35 N 1.61 0.85 -0.99 4.56 2.43 -1.97 -2.20 114.38 118.66 2k5j h ARG 35 Ca -0.51 -0.06 0.24 0.00 -0.81 0.00 0.00 59.98 58.84 2k5j h ARG 35 Cb 1.29 -0.19 -0.12 0.00 -0.42 0.00 0.00 29.97 30.53 2k5j h ARG 35 CO 0.58 0.58 0.57 0.00 -1.51 0.00 0.00 179.97 180.19 2k5j h ALA 36 N 1.22 1.74 -0.56 2.80 0.00 -2.00 0.50 119.26 122.97 2k5j h ALA 36 Ca 0.23 0.13 -0.10 0.00 0.00 0.00 0.00 54.91 55.17 2k5j h ALA 36 Cb -0.07 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2k5j h ALA 36 CO -0.05 -0.26 -0.04 -0.44 0.00 0.00 0.00 179.25 178.45 2k5j h ASP 37 N 0.57 0.98 -0.59 0.00 3.45 -1.77 -2.06 116.42 117.00 2k5j h ASP 37 Ca 0.63 -0.29 -0.07 0.00 0.43 0.00 0.00 57.03 57.73 2k5j h ASP 37 Cb 1.19 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 39.67 2k5j h ASP 37 CO -0.48 1.06 0.10 -0.07 -1.57 0.00 0.00 179.24 178.28 2k5j h LEU 38 N 0.90 0.94 -0.48 1.55 3.38 0.05 -2.03 115.31 119.62 2k5j h LEU 38 Ca 0.15 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 2k5j h LEU 38 Cb 0.59 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 2k5j h LEU 38 CO 0.04 0.96 0.23 -0.07 0.09 0.00 0.00 178.44 179.68 2k5j h LEU 39 N 0.88 0.64 -0.71 1.67 3.38 -0.68 -0.37 115.31 120.11 2k5j h LEU 39 Ca 0.18 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2k5j h LEU 39 Cb 0.42 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 2k5j h LEU 39 CO 0.01 0.59 0.44 -0.09 0.09 0.00 0.00 178.44 179.48 2k5j h ARG 40 N 0.64 0.96 -0.50 1.13 2.43 -1.22 -1.33 114.38 116.49 2k5j h ARG 40 Ca 0.17 -0.08 -0.09 0.00 -0.81 0.00 0.00 59.98 59.17 2k5j h ARG 40 Cb 0.13 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 2k5j h ARG 40 CO -0.02 0.67 -0.04 0.93 -1.51 0.00 0.00 179.97 180.00 2k5j h GLU 41 N 0.97 0.87 -0.51 0.20 5.08 -1.08 -0.79 114.58 119.31 2k5j h GLU 41 Ca 0.26 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2k5j h GLU 41 Cb -0.05 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 2k5j h GLU 41 CO -0.05 0.89 0.24 0.00 -1.00 0.00 0.00 179.01 179.10 2k5j h ALA 42 N 1.15 0.66 0.20 3.43 0.00 -0.49 0.11 119.26 124.32 2k5j h ALA 42 Ca 0.14 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2k5j h ALA 42 Cb 0.54 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2k5j h ALA 42 CO 0.03 0.23 -0.10 0.28 0.00 0.00 0.00 179.25 179.69 2k5j h VAL 43 N 0.68 0.89 -0.40 0.00 2.07 -1.05 0.36 116.25 118.80 2k5j h VAL 43 Ca 0.18 -0.64 0.07 0.00 0.82 0.00 0.00 66.70 67.13 2k5j h VAL 43 Cb 0.13 1.26 -0.06 0.00 -1.52 0.00 0.00 31.29 31.09 2k5j h VAL 43 CO -0.02 0.14 -0.01 -0.78 0.02 0.00 0.00 177.57 176.92 2k5j h ASP 44 N -0.60 -0.18 -0.93 0.57 1.82 -1.07 0.13 116.42 116.15 2k5j h ASP 44 Ca -0.03 0.09 -0.01 0.00 -0.39 0.00 0.00 57.03 56.70 2k5j h ASP 44 Cb 0.44 0.17 -0.04 0.00 0.68 0.00 0.00 39.33 40.57 2k5j h ASP 44 CO 0.05 -0.05 0.55 1.56 -1.61 0.00 0.00 179.24 179.73 2k5j h GLN 45 N 0.10 1.28 -0.70 0.28 1.08 -0.76 -2.31 115.11 114.07 2k5j h GLN 45 Ca 0.19 -0.13 -0.01 0.00 -1.45 0.00 0.00 58.65 57.26 2k5j h GLN 45 Cb 0.28 -0.26 -0.03 0.00 -0.05 0.00 0.00 27.48 27.41 2k5j h GLN 45 CO -0.33 0.91 0.40 -0.92 -0.95 0.00 0.00 178.83 177.93 2k5j h TYR 46 N 1.29 0.96 -0.72 2.96 3.20 0.66 -0.59 116.97 124.74 2k5j h TYR 46 Ca 0.33 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.20 2k5j h TYR 46 Cb -0.03 -0.31 -0.04 0.00 1.54 0.00 0.00 36.73 37.89 2k5j h TYR 46 CO 0.01 0.67 0.47 -0.07 -1.64 0.00 0.00 178.16 177.60 2k5j h LEU 47 N 0.97 0.81 -0.20 2.82 3.38 -0.30 0.67 115.31 123.46 2k5j h LEU 47 Ca 0.25 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 2k5j h LEU 47 Cb 0.02 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2k5j h LEU 47 CO -0.04 0.58 0.03 0.40 0.09 0.00 0.00 178.44 179.49 2k5j h ILE 48 N 0.96 1.23 -0.24 1.22 2.04 -1.02 -1.83 117.51 119.88 2k5j h ILE 48 Ca 0.27 -0.76 -0.06 0.00 1.00 0.00 0.00 64.86 65.30 2k5j h ILE 48 Cb -0.08 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 2k5j h ILE 48 CO -0.07 0.23 -0.12 0.78 0.00 0.00 0.00 178.15 178.97 2k5j h ASN 49 N 0.11 0.37 -0.68 1.72 2.35 -0.75 -2.63 115.58 116.08 2k5j h ASN 49 Ca 0.06 -0.09 -0.06 0.00 -0.55 0.00 0.00 56.30 55.66 2k5j h ASN 49 Cb 0.33 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.57 2k5j h ASN 49 CO 0.01 0.53 0.18 -0.61 -1.65 0.00 0.00 177.43 175.88 2k5j h GLN 50 N 0.36 1.09 -7.49 0.81 5.75 0.62 -3.41 115.11 112.84 2k5j h GLN 50 Ca 0.07 -0.26 -0.46 0.00 -0.15 0.00 0.00 58.65 57.86 2k5j h GLN 50 Cb 0.44 -0.15 0.14 0.00 1.07 0.00 0.00 27.48 28.99 2k5j h GLN 50 CO 0.03 0.96 0.28 0.45 -2.65 0.00 0.00 178.83 177.90 2k5j s SER 51 N -6.39 3.21 0.07 -0.69 0.15 -0.71 -3.73 113.70 105.61 2k5j s SER 51 Ca -0.12 0.93 0.00 0.00 0.70 0.00 0.00 55.95 57.45 2k5j s SER 51 Cb 0.14 -1.46 0.00 0.00 -1.71 0.00 0.00 66.02 62.99 2k5j s SER 51 CO 0.84 -2.73 0.00 1.67 1.20 0.00 0.00 173.24 174.21 2k5j n GLN 52 N -3.88 -4.39 0.00 5.44 -0.06 -1.26 -3.88 117.38 109.35 2k5j n GLN 52 Ca 0.07 3.15 0.00 0.00 -2.00 0.00 0.00 57.00 58.22 2k5j n GLN 52 Cb 0.59 -3.85 0.00 0.00 -4.06 0.00 0.00 30.24 22.92 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 1.89 0.00 -2.14 1.69 -1.04 -1.26 -4.77 114.28 108.65 2k5j n THR 53 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2k5j n THR 53 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 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 0.00 -2.13 -3.54 2.41 0.00 -1.24 -5.03 120.51 110.98 2k5j n ALA 54 Ca 0.00 0.43 -0.27 0.00 0.00 0.00 0.00 53.44 53.60 2k5j n ALA 54 Cb 0.00 -1.31 -0.15 0.00 0.00 0.00 0.00 19.45 17.99 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 -0.81 0.19 -0.21 0.00 0.52 -1.26 -5.10 118.95 112.28 2k5j s ARG 55 Ca 0.00 -0.43 -0.00 0.00 -0.52 0.00 0.00 55.73 54.78 2k5j s ARG 55 Cb 0.00 -1.20 0.06 0.00 0.52 0.00 0.00 34.95 34.33 2k5j s ARG 55 CO 0.00 -0.97 -0.03 0.99 0.02 0.00 0.00 175.30 175.31 2k5j s THR 56 N 2.13 1.18 0.60 0.02 2.01 -1.26 -5.10 115.64 115.23 2k5j s THR 56 Ca 0.08 -0.92 -0.09 0.00 0.31 0.00 0.00 61.69 61.07 2k5j s THR 56 Cb -0.16 -1.49 -0.03 0.00 0.01 0.00 0.00 72.50 70.84 2k5j s THR 56 CO -0.33 -0.07 0.97 -0.94 -0.69 0.00 0.00 174.62 173.56 2k5j s SER 57 N 1.56 6.07 0.01 3.53 1.04 -1.26 -5.09 113.70 119.56 2k5j s SER 57 Ca -0.03 1.20 -0.13 0.00 0.48 0.00 0.00 55.95 57.48 2k5j s SER 57 Cb -0.18 -2.28 0.02 0.00 0.10 0.00 0.00 66.02 63.68 2k5j s SER 57 CO -0.07 -0.88 0.26 0.68 0.98 0.00 0.00 173.24 174.21 2k5j s VAL 58 N -3.09 0.07 0.56 5.02 -7.23 -1.26 -5.16 120.40 109.33 2k5j s VAL 58 Ca 0.54 -0.61 -0.20 0.00 -1.81 0.00 0.00 61.98 59.89 2k5j s VAL 58 Cb -0.11 -0.69 -0.04 0.00 0.56 0.00 0.00 36.38 36.10 2k5j s VAL 58 CO 0.51 -0.34 1.22 -2.16 -0.31 0.00 0.00 175.10 174.02 2k5j s PRO 59 N -1.76 3.14 -0.40 4.82 0.04 -1.26 -5.02 135.00 134.57 2k5j s PRO 59 Ca -0.11 1.87 0.02 0.00 0.04 0.00 0.00 61.00 62.82 2k5j s PRO 59 Cb -0.04 -2.06 0.12 0.00 0.04 0.00 0.00 34.50 32.56 2k5j s PRO 59 CO 0.01 -1.08 0.16 0.20 0.04 0.00 0.00 177.00 176.33 2k5j s GLY 60 N -1.47 1.76 -0.02 0.56 0.00 -1.26 -5.08 107.32 101.80 2k5j s GLY 60 Ca 0.74 -2.49 0.00 0.00 0.00 0.00 0.00 44.72 42.97 2k5j s GLY 60 CO 0.35 1.28 -0.00 -1.50 0.00 0.00 0.00 173.10 173.23 2k5j s ILE 61 N 0.69 0.16 -0.26 0.90 2.07 -1.26 -5.14 121.20 118.36 2k5j s ILE 61 Ca 0.14 0.06 -0.19 0.00 -1.41 0.00 0.00 60.65 59.25 2k5j s ILE 61 Cb -0.22 -0.23 0.07 0.00 0.13 0.00 0.00 42.46 42.21 2k5j s ILE 61 CO -0.08 0.12 0.66 0.86 -1.91 0.00 0.00 174.94 174.58 2k5j s TRP 62 N 0.79 -0.88 -0.10 3.50 -0.00 -1.26 -5.15 118.94 115.83 2k5j s TRP 62 Ca -0.08 1.91 -0.03 0.00 -0.00 0.00 0.00 56.10 57.90 2k5j s TRP 62 Cb -0.11 0.43 0.05 0.00 -0.00 0.00 0.00 33.47 33.85 2k5j s TRP 62 CO -0.01 -0.44 0.15 1.14 -0.00 0.00 0.00 176.95 177.79 2k5j s GLN 63 N 1.05 0.05 0.20 5.86 0.00 -1.26 -5.03 119.66 120.53 2k5j s GLN 63 Ca -0.05 0.43 -0.07 0.00 -0.00 0.00 0.00 55.36 55.66 2k5j s GLN 63 Cb -0.05 -0.58 0.14 0.00 0.00 0.00 0.00 33.01 32.51 2k5j s GLN 63 CO -0.10 -0.39 1.69 0.78 0.00 0.00 0.00 175.29 177.26 2k5j h GLY 64 N 8.37 1.13 -2.85 2.60 0.00 -2.09 -3.49 103.07 106.74 2k5j h GLY 64 Ca -0.14 -0.78 0.27 0.00 0.00 0.00 0.00 47.33 46.69 2k5j h GLY 64 CO 0.18 0.72 -0.82 0.00 0.00 0.00 0.00 176.54 176.62 2k5j s GLU 66 N -3.84 1.12 -0.06 0.00 -1.05 -1.26 -5.17 118.70 108.44 2k5j s GLU 66 Ca 0.00 -0.43 -0.05 0.00 -0.15 0.00 0.00 54.97 54.34 2k5j s GLU 66 Cb 0.00 0.51 0.02 0.00 -0.44 0.00 0.00 34.13 34.22 2k5j s GLU 66 CO 0.00 -0.44 0.15 -2.00 0.95 0.00 0.00 175.26 173.92 2k5j s GLU 67 N -3.19 0.15 -0.40 -4.83 2.12 -1.26 -5.11 118.70 106.18 2k5j s GLU 67 Ca -0.01 0.24 0.05 0.00 0.36 0.00 0.00 54.97 55.61 2k5j s GLU 67 Cb -0.00 0.03 0.17 0.00 0.26 0.00 0.00 34.13 34.59 2k5j s GLU 67 CO -0.08 -0.05 0.50 0.16 -0.54 0.00 0.00 175.26 175.26 2k5j s ASP 68 N 0.31 -0.13 -0.40 -1.70 3.84 -1.26 -5.03 116.67 112.31 2k5j s ASP 68 Ca -0.02 -1.33 0.10 0.00 -0.00 0.00 0.00 52.55 51.30 2k5j s ASP 68 Cb -0.03 1.20 0.34 0.00 -1.38 0.00 0.00 42.92 43.05 2k5j s ASP 68 CO -0.01 -0.20 0.87 0.61 -0.00 0.00 0.00 175.17 176.43 2k5j n GLY 69 N 4.16 2.55 0.26 2.12 0.00 -1.26 -4.93 105.19 108.09 2k5j n GLY 69 Ca 0.12 -1.10 0.12 0.00 0.00 0.00 0.00 46.02 45.16 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 1.71 0.61 -5.19 1.61 -1.51 -2.08 -3.47 116.25 107.93 2k5j h VAL 70 Ca 0.03 -0.49 -0.00 0.00 -1.23 0.00 0.00 66.70 65.01 2k5j h VAL 70 Cb 1.02 1.31 0.00 0.00 -2.13 0.00 0.00 31.29 31.49 2k5j h VAL 70 CO 0.37 0.11 -0.99 1.21 -1.23 0.00 0.00 177.57 177.04 2k5j n GLU 71 N -3.72 -3.41 -4.14 5.19 4.07 -1.26 -5.00 120.64 112.37 2k5j n GLU 71 Ca -0.02 2.74 -0.35 0.00 -0.06 0.00 0.00 57.16 59.47 2k5j n GLU 71 Cb 0.22 -5.26 -0.09 0.00 -0.06 0.00 0.00 31.44 26.25 2k5j n GLU 71 CO 0.00 0.00 0.00 -0.47 -0.06 0.00 0.00 177.13 176.60 2k5j s TYR 72 N -1.63 3.29 0.15 4.31 5.04 -1.26 -5.11 117.35 122.14 2k5j s TYR 72 Ca 0.00 0.21 0.01 0.00 -2.44 0.00 0.00 57.07 54.85 2k5j s TYR 72 Cb -0.00 -1.93 -0.04 0.00 0.35 0.00 0.00 41.96 40.34 2k5j s TYR 72 CO 0.76 0.40 0.02 -0.65 -1.34 0.00 0.00 175.55 174.75 2k5j s GLN 73 N -0.44 1.02 0.52 4.97 -0.21 -1.26 -5.09 119.66 119.17 2k5j s GLN 73 Ca 0.09 -1.49 0.00 0.00 0.02 0.00 0.00 55.36 53.99 2k5j s GLN 73 Cb -0.12 -0.04 0.00 0.00 1.00 0.00 0.00 33.01 33.85 2k5j s GLN 73 CO 0.02 -0.19 0.00 0.54 -2.12 0.00 0.00 175.29 173.54 2k5j n ARG 74 N -0.17 -4.61 0.00 2.91 1.74 -1.26 -4.87 116.66 110.40 2k5j n ARG 74 Ca -0.06 3.43 0.07 0.00 -0.77 0.00 0.00 57.85 60.51 2k5j n ARG 74 Cb 0.63 -3.90 0.01 0.00 -1.02 0.00 0.00 32.46 28.19 2k5j n ARG 74 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 2k5j n LYS 75 N -0.79 1.69 -2.37 5.56 2.85 -1.26 -5.07 118.16 118.76 2k5j n LYS 75 Ca 0.00 -0.84 -0.01 0.00 -1.05 0.00 0.00 58.31 56.41 2k5j n LYS 75 Cb 0.00 -1.22 -0.01 0.00 -0.65 0.00 0.00 35.03 33.15 2k5j n LYS 75 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2k5j n LEU 76 N 0.00 -4.80 -2.90 -5.58 4.77 -1.26 -5.01 117.00 102.22 2k5j n LEU 76 Ca 0.06 2.18 -0.13 0.00 -0.03 0.00 0.00 56.01 58.09 2k5j n LEU 76 Cb 0.30 -2.71 0.01 0.00 -2.33 0.00 0.00 43.42 38.70 2k5j n LEU 76 CO 0.16 -2.79 0.04 -1.14 -1.33 0.00 0.00 177.39 172.33 2k5j n ARG 77 N 1.93 0.78 0.00 3.23 0.63 -1.26 -4.94 116.66 117.02 2k5j n ARG 77 Ca -0.07 -2.25 0.12 0.00 -0.92 0.00 0.00 57.85 54.72 2k5j n ARG 77 Cb 0.11 -1.37 0.20 0.00 0.45 0.00 0.00 32.46 31.85 2k5j n ARG 77 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2k5j n GLU 78 N 1.45 0.16 -4.88 -0.14 1.02 -1.26 -4.86 120.64 112.13 2k5j n GLU 78 Ca 0.13 -0.10 -0.33 0.00 -0.02 0.00 0.00 57.16 56.84 2k5j n GLU 78 Cb 0.60 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.39 2k5j n GLU 78 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2k5j s GLU 79 N -2.91 2.75 0.00 3.49 -1.05 -1.26 -5.36 118.70 114.36 2k5j s GLU 79 Ca 0.13 -0.71 0.07 0.00 -0.15 0.00 0.00 54.97 54.31 2k5j s GLU 79 Cb 0.18 -2.43 0.40 0.00 -0.44 0.00 0.00 34.13 31.83 2k5j s GLU 79 CO 0.70 0.50 0.86 1.87 0.95 0.00 0.00 175.26 180.13