#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 0.59 7.83 4.22 -1.26 -4.99 114.94 128.09 2k5j s ASN 2 Ca 0.00 2.16 -0.16 0.00 -2.14 0.00 0.00 52.86 52.71 2k5j s ASN 2 Cb 0.00 -2.55 -0.04 0.00 1.28 0.00 0.00 41.25 39.94 2k5j s ASN 2 CO 0.00 -0.83 1.06 -0.94 -2.04 0.00 0.00 177.10 174.35 2k5j s SER 3 N 2.53 5.79 -0.17 3.54 1.04 -1.26 -5.04 113.70 120.13 2k5j s SER 3 Ca 0.68 1.85 -0.03 0.00 0.48 0.00 0.00 55.95 58.93 2k5j s SER 3 Cb -0.32 -2.54 -0.02 0.00 0.10 0.00 0.00 66.02 63.24 2k5j s SER 3 CO 0.27 -1.16 -0.06 -0.22 0.98 0.00 0.00 173.24 173.05 2k5j s LEU 4 N -4.40 3.03 -0.37 2.42 2.96 -1.26 -4.98 118.68 116.08 2k5j s LEU 4 Ca 0.64 -0.24 0.12 0.00 -0.22 0.00 0.00 54.13 54.43 2k5j s LEU 4 Cb -0.17 -1.73 0.41 0.00 0.50 0.00 0.00 46.19 45.20 2k5j s LEU 4 CO 0.35 0.12 1.29 0.00 -1.32 0.00 0.00 176.35 176.79 2k5j n ALA 5 N 3.85 1.91 -2.56 5.97 0.00 -1.26 -5.10 120.51 123.33 2k5j n ALA 5 Ca -0.18 -1.67 -0.43 0.00 0.00 0.00 0.00 53.44 51.16 2k5j n ALA 5 Cb 0.52 -0.96 -0.02 0.00 0.00 0.00 0.00 19.45 18.99 2k5j n ALA 5 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2k5j s GLY 6 N -1.67 1.29 -0.40 0.00 0.00 -1.26 -4.99 107.32 100.30 2k5j s GLY 6 Ca 0.22 -0.35 -0.13 0.00 0.00 0.00 0.00 44.72 44.45 2k5j s GLY 6 CO -0.07 2.47 0.26 -0.42 0.00 0.00 0.00 173.10 175.34 2k5j s ILE 7 N 4.52 4.91 -0.41 0.90 1.01 -1.26 -4.94 121.20 125.93 2k5j s ILE 7 Ca 0.50 -0.80 -0.01 0.00 0.00 0.00 0.00 60.65 60.34 2k5j s ILE 7 Cb -0.09 -3.76 0.21 0.00 0.01 0.00 0.00 42.46 38.83 2k5j s ILE 7 CO 0.30 -0.30 0.96 -0.67 0.00 0.00 0.00 174.94 175.23 2k5j n ASP 8 N 5.08 -2.27 -3.65 3.58 4.64 -1.26 -5.16 116.55 117.51 2k5j n ASP 8 Ca -0.11 -1.85 -0.27 0.00 -1.38 0.00 0.00 54.79 51.18 2k5j n ASP 8 Cb 0.46 1.17 0.24 0.00 -1.04 0.00 0.00 41.12 41.95 2k5j n ASP 8 CO 0.00 0.00 0.00 0.23 -0.82 0.00 0.00 177.20 176.61 2k5j n MET 9 N 2.61 -3.54 -4.28 -0.67 2.81 -1.26 -5.03 117.12 107.77 2k5j n MET 9 Ca 0.13 -1.04 -0.26 0.00 -1.81 0.00 0.00 57.70 54.72 2k5j n MET 9 Cb 0.62 -1.83 -0.09 0.00 -0.71 0.00 0.00 33.22 31.21 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 -2.56 1.72 -0.15 3.03 0.00 -1.26 -5.12 107.32 102.98 2k5j s GLY 10 Ca 0.59 -1.47 0.00 0.00 0.00 0.00 0.00 44.72 43.84 2k5j s GLY 10 CO 0.53 -1.49 -0.15 -1.60 0.00 0.00 0.00 173.10 170.39 2k5j s ARG 11 N -2.93 2.39 0.05 2.90 6.06 -1.26 -5.12 118.95 121.05 2k5j s ARG 11 Ca 0.26 -0.60 0.01 0.00 -2.50 0.00 0.00 55.73 52.91 2k5j s ARG 11 Cb -0.09 -2.17 -0.03 0.00 0.06 0.00 0.00 34.95 32.73 2k5j s ARG 11 CO 0.16 -0.23 -0.06 0.42 -2.50 0.00 0.00 175.30 173.09 2k5j s ILE 12 N 1.45 0.45 -0.11 4.11 1.01 -1.26 -5.15 121.20 121.69 2k5j s ILE 12 Ca 0.05 -1.27 -0.08 0.00 0.00 0.00 0.00 60.65 59.35 2k5j s ILE 12 Cb -0.13 -0.81 -0.04 0.00 0.01 0.00 0.00 42.46 41.48 2k5j s ILE 12 CO -0.11 -0.55 0.17 -0.76 0.00 0.00 0.00 174.94 173.68 2k5j s LEU 13 N -1.95 4.39 -0.00 2.97 1.02 -1.26 -5.10 118.68 118.75 2k5j s LEU 13 Ca -0.06 0.51 0.02 0.00 0.02 0.00 0.00 54.13 54.63 2k5j s LEU 13 Cb -0.06 -2.12 -0.01 0.00 0.02 0.00 0.00 46.19 44.03 2k5j s LEU 13 CO -0.02 0.39 -0.07 -0.22 0.02 0.00 0.00 176.35 176.45 2k5j s LEU 14 N -0.98 2.03 -0.12 1.79 0.20 -1.26 -5.14 118.68 115.20 2k5j s LEU 14 Ca 0.16 -0.17 0.03 0.00 0.69 0.00 0.00 54.13 54.84 2k5j s LEU 14 Cb -0.12 -0.36 0.00 0.00 -0.43 0.00 0.00 46.19 45.28 2k5j s LEU 14 CO 0.05 0.07 -0.22 1.51 -0.29 0.00 0.00 176.35 177.46 2k5j s ASP 15 N -0.29 3.15 0.06 3.68 3.84 -1.26 -5.12 116.67 120.73 2k5j s ASP 15 Ca 0.02 -0.57 0.05 0.00 -0.00 0.00 0.00 52.55 52.04 2k5j s ASP 15 Cb -0.03 -1.44 -0.03 0.00 -1.38 0.00 0.00 42.92 40.04 2k5j s ASP 15 CO -0.00 0.12 -0.13 -0.76 -0.00 0.00 0.00 175.17 174.39 2k5j s LEU 16 N 0.60 2.24 0.71 2.11 1.43 -1.26 -5.13 118.68 119.38 2k5j s LEU 16 Ca -0.12 -0.55 -0.16 0.00 -1.03 0.00 0.00 54.13 52.27 2k5j s LEU 16 Cb -0.17 -0.49 0.02 0.00 0.03 0.00 0.00 46.19 45.59 2k5j s LEU 16 CO 0.03 -0.06 1.24 -1.20 0.23 0.00 0.00 176.35 176.59 2k5j n SER 17 N 1.52 1.60 -0.18 2.29 7.64 -1.26 -4.88 113.62 120.34 2k5j n SER 17 Ca -0.20 0.73 -0.02 0.00 1.01 0.00 0.00 58.87 60.39 2k5j n SER 17 Cb 0.54 -1.53 0.19 0.00 -1.01 0.00 0.00 64.21 62.40 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 -0.04 0.86 -0.73 6.43 2.35 -2.00 -2.16 115.58 120.29 2k5j h ASN 18 Ca -0.49 -0.11 0.10 0.00 -0.55 0.00 0.00 56.30 55.25 2k5j h ASN 18 Cb 1.33 -0.22 -0.05 0.00 0.05 0.00 0.00 38.32 39.43 2k5j h ASN 18 CO 0.50 0.76 0.48 -0.33 -1.65 0.00 0.00 177.43 177.19 2k5j h GLU 19 N 0.93 0.60 -0.35 0.81 5.08 -2.01 -1.12 114.58 118.52 2k5j h GLU 19 Ca 0.22 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.45 2k5j h GLU 19 Cb 0.16 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2k5j h GLU 19 CO -0.02 0.40 -0.17 0.28 -1.00 0.00 0.00 179.01 178.50 2k5j h VAL 20 N 0.62 1.29 -1.00 3.13 2.07 -1.75 -2.90 116.25 117.70 2k5j h VAL 20 Ca 0.34 -1.28 0.14 0.00 0.82 0.00 0.00 66.70 66.71 2k5j h VAL 20 Cb 0.49 1.36 -0.09 0.00 -1.52 0.00 0.00 31.29 31.54 2k5j h VAL 20 CO -0.12 0.42 0.62 0.40 0.02 0.00 0.00 177.57 178.92 2k5j h ILE 21 N 0.52 0.87 -0.71 4.57 2.04 -1.06 0.15 117.51 123.89 2k5j h ILE 21 Ca 0.08 -0.32 -0.06 0.00 1.00 0.00 0.00 64.86 65.56 2k5j h ILE 21 Cb 0.71 -0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 2k5j h ILE 21 CO 0.05 0.17 0.21 0.11 0.00 0.00 0.00 178.15 178.69 2k5j h LYS 22 N 0.93 1.10 -0.06 2.37 6.56 -1.32 0.23 116.57 126.37 2k5j h LYS 22 Ca 0.51 -0.24 -0.01 0.00 -1.06 0.00 0.00 60.65 59.85 2k5j h LYS 22 Cb 0.59 -0.16 -0.00 0.00 -0.57 0.00 0.00 32.23 32.09 2k5j h LYS 22 CO -0.28 0.95 -0.00 1.96 -2.06 0.00 0.00 179.45 180.01 2k5j h GLN 23 N 1.05 0.11 -0.79 3.15 4.20 -0.65 -1.78 115.11 120.41 2k5j h GLN 23 Ca 0.23 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.85 2k5j h GLN 23 Cb 0.32 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.05 2k5j h GLN 23 CO -0.01 0.39 0.31 -0.07 -0.67 0.00 0.00 178.83 178.79 2k5j h LEU 24 N -0.18 1.09 -0.72 1.46 3.38 -0.70 -2.16 115.31 117.48 2k5j h LEU 24 Ca 0.02 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.82 2k5j h LEU 24 Cb 0.34 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 2k5j h LEU 24 CO 0.00 0.97 0.47 -0.78 0.09 0.00 0.00 178.44 179.19 2k5j h ASP 25 N 1.14 0.80 -0.69 -0.43 1.82 -0.46 0.74 116.42 119.34 2k5j h ASP 25 Ca 0.26 -0.02 -0.04 0.00 -0.39 0.00 0.00 57.03 56.85 2k5j h ASP 25 Cb 0.22 -0.20 -0.03 0.00 0.68 0.00 0.00 39.33 40.01 2k5j h ASP 25 CO -0.02 0.58 0.28 -0.78 -1.61 0.00 0.00 179.24 177.69 2k5j h ASP 26 N 0.95 0.95 0.86 2.28 1.82 -0.98 -1.91 116.42 120.38 2k5j h ASP 26 Ca 0.27 -0.17 -0.14 0.00 -0.39 0.00 0.00 57.03 56.60 2k5j h ASP 26 Cb -0.08 -0.25 -0.02 0.00 0.68 0.00 0.00 39.33 39.66 2k5j h ASP 26 CO -0.07 0.85 -0.66 -0.07 -1.61 0.00 0.00 179.24 177.69 2k5j h LEU 27 N 0.98 0.00 -0.54 2.28 3.38 -0.79 -2.94 115.31 117.68 2k5j h LEU 27 Ca 0.23 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.12 2k5j h LEU 27 Cb 0.20 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2k5j h LEU 27 CO -0.02 0.66 0.02 -0.08 0.09 0.00 0.00 178.44 179.11 2k5j h GLU 28 N 0.00 0.93 -0.34 1.13 4.81 0.96 -1.55 114.58 120.52 2k5j h GLU 28 Ca -0.01 -0.29 -0.09 0.00 -0.13 0.00 0.00 59.36 58.84 2k5j h GLU 28 Cb 1.26 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 2k5j h GLU 28 CO 0.09 0.94 -0.15 0.28 -0.73 0.00 0.00 179.01 179.44 2k5j h VAL 29 N 0.81 1.29 -0.54 0.32 2.07 -1.36 -0.50 116.25 118.33 2k5j h VAL 29 Ca 0.15 -1.26 -0.00 0.00 0.82 0.00 0.00 66.70 66.42 2k5j h VAL 29 Cb 0.51 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 2k5j h VAL 29 CO 0.02 0.41 0.33 1.56 0.02 0.00 0.00 177.57 179.91 2k5j h GLN 30 N 0.48 0.74 0.00 1.57 1.08 -1.41 -1.34 115.11 116.22 2k5j h GLN 30 Ca 0.08 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 2k5j h GLN 30 Cb 0.68 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 2k5j h GLN 30 CO 0.05 0.53 0.00 0.54 -0.95 0.00 0.00 178.83 179.00 2k5j n ARG 31 N -4.66 0.09 -3.07 1.46 3.00 -0.59 -4.89 116.66 107.99 2k5j n ARG 31 Ca 0.03 0.13 -0.21 0.00 -0.01 0.00 0.00 57.85 57.79 2k5j n ARG 31 Cb 0.05 -1.62 0.01 0.00 0.00 0.00 0.00 32.46 30.90 2k5j n ARG 31 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2k5j n ASN 32 N -1.78 -4.55 -4.12 0.55 3.02 -0.22 -4.95 115.26 103.21 2k5j n ASN 32 Ca 0.06 -0.25 -0.13 0.00 -0.03 0.00 0.00 54.58 54.23 2k5j n ASN 32 Cb 0.34 -3.74 -0.11 0.00 -0.61 0.00 0.00 39.78 35.65 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 -6.38 2.36 0.52 3.41 1.43 -1.06 -5.05 118.68 113.91 2k5j s LEU 33 Ca 0.29 -0.74 -0.22 0.00 -1.03 0.00 0.00 54.13 52.43 2k5j s LEU 33 Cb -0.14 -0.19 -0.06 0.00 0.03 0.00 0.00 46.19 45.83 2k5j s LEU 33 CO 0.36 -0.28 1.34 -0.81 0.23 0.00 0.00 176.35 177.18 2k5j n PRO 34 N 0.84 1.76 -0.29 1.29 -0.04 -1.26 -4.73 135.00 132.57 2k5j n PRO 34 Ca -0.18 0.64 -0.05 0.00 -0.04 0.00 0.00 63.50 63.87 2k5j n PRO 34 Cb 0.57 -2.54 0.07 0.00 -0.04 0.00 0.00 33.50 31.56 2k5j n PRO 34 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 2k5j h ARG 35 N 1.58 1.08 -0.90 0.54 0.11 -1.95 -2.33 114.38 112.51 2k5j h ARG 35 Ca -0.50 -0.11 0.21 0.00 0.10 0.00 0.00 59.98 59.68 2k5j h ARG 35 Cb 1.30 -0.22 -0.12 0.00 1.11 0.00 0.00 29.97 32.04 2k5j h ARG 35 CO 0.58 0.78 0.43 0.00 0.10 0.00 0.00 179.97 181.86 2k5j h ALA 36 N 1.24 1.45 -0.60 0.08 0.00 -1.99 0.39 119.26 119.84 2k5j h ALA 36 Ca 0.28 0.14 -0.10 0.00 0.00 0.00 0.00 54.91 55.24 2k5j h ALA 36 Cb -0.01 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2k5j h ALA 36 CO -0.05 -0.28 0.00 -0.44 0.00 0.00 0.00 179.25 178.48 2k5j h ASP 37 N 0.48 1.03 -0.59 0.00 5.19 -1.79 -2.35 116.42 118.39 2k5j h ASP 37 Ca 0.55 -0.31 -0.10 0.00 -0.62 0.00 0.00 57.03 56.56 2k5j h ASP 37 Cb 1.00 -0.28 -0.02 0.00 0.18 0.00 0.00 39.33 40.21 2k5j h ASP 37 CO -0.49 1.09 -0.00 -0.07 -3.12 0.00 0.00 179.24 176.65 2k5j h LEU 38 N 0.95 1.04 -0.52 1.55 3.38 -0.27 -2.40 115.31 119.04 2k5j h LEU 38 Ca 0.17 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 2k5j h LEU 38 Cb 0.56 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2k5j h LEU 38 CO 0.03 1.08 0.29 -0.07 0.09 0.00 0.00 178.44 179.87 2k5j h LEU 39 N 0.97 0.64 -0.70 1.67 3.38 -0.24 -1.06 115.31 119.96 2k5j h LEU 39 Ca 0.17 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2k5j h LEU 39 Cb 0.56 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 2k5j h LEU 39 CO 0.03 0.53 0.39 -0.09 0.09 0.00 0.00 178.44 179.39 2k5j h ARG 40 N 0.69 0.97 -0.45 1.13 2.43 -1.29 -2.04 114.38 115.82 2k5j h ARG 40 Ca 0.18 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 2k5j h ARG 40 Cb 0.03 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.36 2k5j h ARG 40 CO -0.03 0.72 0.23 0.93 -1.51 0.00 0.00 179.97 180.31 2k5j h GLU 41 N 0.96 0.64 -0.77 0.20 5.08 -1.05 0.55 114.58 120.19 2k5j h GLU 41 Ca 0.25 -0.09 0.05 0.00 -1.00 0.00 0.00 59.36 58.58 2k5j h GLU 41 Cb 0.03 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.10 2k5j h GLU 41 CO -0.04 0.53 0.46 0.00 -1.00 0.00 0.00 179.01 178.96 2k5j h ALA 42 N 1.08 1.04 0.02 3.43 0.00 -0.86 0.60 119.26 124.56 2k5j h ALA 42 Ca 0.16 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2k5j h ALA 42 Cb 0.09 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2k5j h ALA 42 CO -0.02 0.19 -0.01 0.28 0.00 0.00 0.00 179.25 179.69 2k5j h VAL 43 N 0.86 1.41 -0.36 0.00 2.07 -1.01 -2.33 116.25 116.90 2k5j h VAL 43 Ca 0.33 -1.44 0.06 0.00 0.82 0.00 0.00 66.70 66.47 2k5j h VAL 43 Cb 0.14 2.37 -0.06 0.00 -1.52 0.00 0.00 31.29 32.23 2k5j h VAL 43 CO -0.16 0.36 0.02 0.44 0.02 0.00 0.00 177.57 178.25 2k5j h ASP 44 N -0.67 -0.11 -0.81 0.57 3.32 0.36 0.15 116.42 119.24 2k5j h ASP 44 Ca -0.00 0.08 0.06 0.00 0.02 0.00 0.00 57.03 57.18 2k5j h ASP 44 Cb 0.62 0.13 -0.06 0.00 0.22 0.00 0.00 39.33 40.24 2k5j h ASP 44 CO 0.01 -0.02 0.50 1.56 -1.72 0.00 0.00 179.24 179.56 2k5j h GLN 45 N 0.12 0.88 -0.63 3.56 4.20 0.14 -1.11 115.11 122.27 2k5j h GLN 45 Ca 0.18 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.79 2k5j h GLN 45 Cb 0.24 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 2k5j h GLN 45 CO -0.28 0.58 0.23 -0.92 -0.67 0.00 0.00 178.83 177.78 2k5j h TYR 46 N 0.91 0.98 -0.72 2.96 3.20 -0.61 -1.68 116.97 122.02 2k5j h TYR 46 Ca 0.35 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 62.14 2k5j h TYR 46 Cb 0.16 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 38.11 2k5j h TYR 46 CO -0.04 0.78 0.45 -0.07 -1.64 0.00 0.00 178.16 177.64 2k5j h LEU 47 N 0.89 0.85 -0.41 2.82 3.38 0.10 0.62 115.31 123.55 2k5j h LEU 47 Ca 0.21 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 2k5j h LEU 47 Cb 0.24 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2k5j h LEU 47 CO -0.01 0.64 0.21 0.40 0.09 0.00 0.00 178.44 179.77 2k5j h ILE 48 N 0.98 1.17 -0.47 1.22 2.04 -0.94 0.65 117.51 122.16 2k5j h ILE 48 Ca 0.26 -0.47 -0.09 0.00 1.00 0.00 0.00 64.86 65.56 2k5j h ILE 48 Cb -0.06 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 2k5j h ILE 48 CO -0.05 0.18 -0.05 0.78 0.00 0.00 0.00 178.15 179.01 2k5j h ASN 49 N 0.53 0.85 -0.33 1.72 2.35 -0.83 -0.83 115.58 119.04 2k5j h ASN 49 Ca 0.14 -0.33 -0.05 0.00 -0.55 0.00 0.00 56.30 55.52 2k5j h ASN 49 Cb 0.10 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 2k5j h ASN 49 CO -0.02 0.98 0.03 1.56 -1.65 0.00 0.00 177.43 178.34 2k5j h GLN 50 N 0.70 0.57 0.00 0.81 7.50 0.53 -2.38 115.11 122.85 2k5j h GLN 50 Ca 0.13 -0.16 0.00 0.00 0.50 0.00 0.00 58.65 59.11 2k5j h GLN 50 Cb 0.58 -0.06 0.00 0.00 0.05 0.00 0.00 27.48 28.05 2k5j h GLN 50 CO 0.03 0.67 0.00 1.03 -1.50 0.00 0.00 178.83 179.06 2k5j h SER 51 N 0.39 0.00 -0.47 1.46 0.87 0.38 -2.97 113.55 113.21 2k5j h SER 51 Ca 0.10 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.64 2k5j h SER 51 Cb 0.39 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 2k5j h SER 51 CO 0.01 0.00 0.22 -0.61 -0.53 0.00 0.00 176.83 175.92 2k5j h GLN 52 N 0.00 0.67 -6.90 2.24 5.75 -0.59 -3.46 115.11 112.82 2k5j h GLN 52 Ca 0.00 -0.10 -0.58 0.00 -0.15 0.00 0.00 58.65 57.82 2k5j h GLN 52 Cb 0.40 -0.12 -0.26 0.00 1.07 0.00 0.00 27.48 28.57 2k5j h GLN 52 CO 0.00 0.57 -0.87 0.25 -2.65 0.00 0.00 178.83 176.13 2k5j n THR 53 N -4.63 -0.84 -1.85 2.39 -2.24 -1.12 -4.84 114.28 101.15 2k5j n THR 53 Ca 0.01 -0.07 -0.40 0.00 -2.27 0.00 0.00 64.05 61.33 2k5j n THR 53 Cb 0.12 -1.34 0.01 0.00 -2.10 0.00 0.00 70.33 67.03 2k5j n THR 53 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k5j s ALA 54 N -3.38 3.21 0.28 6.98 0.00 -1.26 -4.94 121.76 122.64 2k5j s ALA 54 Ca 0.68 1.41 -0.29 0.00 0.00 0.00 0.00 51.96 53.76 2k5j s ALA 54 Cb -0.38 -3.57 -0.10 0.00 0.00 0.00 0.00 23.12 19.07 2k5j s ALA 54 CO 0.96 -1.13 1.27 1.03 0.00 0.00 0.00 175.76 177.89 2k5j s ARG 55 N -2.45 4.42 0.16 0.00 0.52 -1.26 -4.80 118.95 115.54 2k5j s ARG 55 Ca 0.61 2.08 0.00 0.00 -0.52 0.00 0.00 55.73 57.90 2k5j s ARG 55 Cb -0.42 -3.14 0.00 0.00 0.52 0.00 0.00 34.95 31.91 2k5j s ARG 55 CO 0.54 -0.13 0.00 0.25 0.02 0.00 0.00 175.30 175.98 2k5j n THR 56 N 1.50 0.00 -3.67 0.02 -2.24 -1.26 -4.97 114.28 103.66 2k5j n THR 56 Ca 0.02 0.02 -0.12 0.00 -2.27 0.00 0.00 64.05 61.70 2k5j n THR 56 Cb 0.43 -0.24 -0.06 0.00 -2.10 0.00 0.00 70.33 68.35 2k5j n THR 56 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2k5j s SER 57 N -3.86 -0.24 0.18 3.42 0.01 -1.26 -5.15 113.70 106.79 2k5j s SER 57 Ca 0.00 -0.12 -0.08 0.00 1.31 0.00 0.00 55.95 57.06 2k5j s SER 57 Cb 0.00 0.43 -0.06 0.00 0.21 0.00 0.00 66.02 66.59 2k5j s SER 57 CO 0.00 -0.71 0.46 0.68 0.41 0.00 0.00 173.24 174.08 2k5j s VAL 58 N -2.85 5.05 0.63 3.43 -7.23 -1.26 -5.07 120.40 113.09 2k5j s VAL 58 Ca -0.03 0.29 -0.17 0.00 -1.81 0.00 0.00 61.98 60.26 2k5j s VAL 58 Cb 0.00 -3.63 -0.02 0.00 0.56 0.00 0.00 36.38 33.30 2k5j s VAL 58 CO -0.05 0.02 1.14 -2.16 -0.31 0.00 0.00 175.10 173.73 2k5j s PRO 59 N -2.64 2.90 0.00 4.82 0.04 -1.26 -5.04 135.00 133.82 2k5j s PRO 59 Ca 0.43 1.53 0.00 0.00 0.04 0.00 0.00 61.00 63.00 2k5j s PRO 59 Cb -0.12 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.47 2k5j s PRO 59 CO 0.22 -1.20 0.00 0.41 0.04 0.00 0.00 177.00 176.48 2k5j n GLY 60 N -0.13 -3.35 0.23 0.56 0.00 -1.26 -4.90 105.19 96.35 2k5j n GLY 60 Ca 0.11 -1.27 -0.08 0.00 0.00 0.00 0.00 46.02 44.78 2k5j n GLY 60 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2k5j h ILE 61 N -1.65 1.22 -5.77 -0.61 2.04 -2.04 -3.48 117.51 107.21 2k5j h ILE 61 Ca 0.00 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.19 2k5j h ILE 61 Cb 0.00 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 2k5j h ILE 61 CO 0.00 0.25 -0.64 1.87 0.00 0.00 0.00 178.15 179.63 2k5j n TRP 62 N -4.54 -1.62 0.15 1.37 -0.00 -1.26 -4.98 117.44 106.55 2k5j n TRP 62 Ca 0.02 0.92 0.00 0.00 -0.00 0.00 0.00 57.50 58.44 2k5j n TRP 62 Cb 0.16 -2.07 0.00 0.00 -0.00 0.00 0.00 31.31 29.40 2k5j n TRP 62 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 177.69 178.63 2k5j n GLN 63 N 2.09 0.00 -3.70 5.87 -0.06 -1.26 -5.08 117.38 115.25 2k5j n GLN 63 Ca -0.14 0.00 -0.39 0.00 -2.00 0.00 0.00 57.00 54.48 2k5j n GLN 63 Cb 0.25 0.00 -0.12 0.00 -4.06 0.00 0.00 30.24 26.32 2k5j n GLN 63 CO 0.00 0.00 0.00 0.20 -0.20 0.00 0.00 177.06 177.06 2k5j s GLY 64 N -2.80 1.88 0.27 1.69 0.00 -1.26 -4.96 107.32 102.14 2k5j s GLY 64 Ca 0.00 -1.76 -0.02 0.00 0.00 0.00 0.00 44.72 42.94 2k5j s GLY 64 CO 0.00 0.80 1.80 0.00 0.00 0.00 0.00 173.10 175.71 2k5j n GLU 66 N -4.26 -2.63 -2.90 0.00 2.13 -1.26 -4.98 120.64 106.74 2k5j n GLU 66 Ca 0.04 2.24 -0.18 0.00 0.66 0.00 0.00 57.16 59.92 2k5j n GLU 66 Cb 0.24 -4.41 -0.01 0.00 0.27 0.00 0.00 31.44 27.53 2k5j n GLU 66 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 2k5j n GLU 67 N 0.62 1.67 -0.02 5.31 0.28 -1.26 -4.85 120.64 122.39 2k5j n GLU 67 Ca 0.01 -3.70 0.13 0.00 -0.16 0.00 0.00 57.16 53.44 2k5j n GLU 67 Cb 0.21 -1.70 0.53 0.00 1.43 0.00 0.00 31.44 31.90 2k5j n GLU 67 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 2k5j n ASP 68 N -0.00 1.33 -4.54 -1.84 5.68 -1.26 -4.85 116.55 111.06 2k5j n ASP 68 Ca 0.22 -1.50 -0.36 0.00 -0.50 0.00 0.00 54.79 52.65 2k5j n ASP 68 Cb 0.67 -0.03 -0.05 0.00 -1.14 0.00 0.00 41.12 40.58 2k5j n ASP 68 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k5j n GLY 69 N 1.13 0.08 3.11 6.12 0.00 -1.26 -4.91 105.19 109.46 2k5j n GLY 69 Ca 0.19 0.72 -0.27 0.00 0.00 0.00 0.00 46.02 46.66 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 11.84 1.44 -0.11 1.61 1.01 -1.26 -5.10 120.40 129.81 2k5j s VAL 70 Ca 1.03 -0.69 -0.29 0.00 0.00 0.00 0.00 61.98 62.03 2k5j s VAL 70 Cb -0.33 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 2k5j s VAL 70 CO 0.29 0.42 1.39 -1.61 0.00 0.00 0.00 175.10 175.59 2k5j s GLU 71 N 0.29 4.22 0.15 2.72 8.01 -1.26 -4.91 118.70 127.92 2k5j s GLU 71 Ca -0.10 1.85 -0.15 0.00 0.01 0.00 0.00 54.97 56.58 2k5j s GLU 71 Cb -0.14 -3.81 0.02 0.00 -4.31 0.00 0.00 34.13 25.89 2k5j s GLU 71 CO 0.04 -0.73 1.74 1.88 0.01 0.00 0.00 175.26 178.20 2k5j h TYR 72 N 8.57 0.63 -2.26 1.61 0.05 -2.01 -3.44 116.97 120.12 2k5j h TYR 72 Ca -0.32 -0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.41 2k5j h TYR 72 Cb 1.13 -0.20 -0.23 0.00 1.01 0.00 0.00 36.73 38.44 2k5j h TYR 72 CO 0.82 0.49 -0.13 -1.14 -1.05 0.00 0.00 178.16 177.16 2k5j s GLN 73 N -5.77 0.56 0.40 4.88 2.00 -1.26 -5.15 119.66 115.32 2k5j s GLN 73 Ca -0.13 1.08 -0.24 0.00 -2.00 0.00 0.00 55.36 54.07 2k5j s GLN 73 Cb 0.11 0.14 -0.09 0.00 0.80 0.00 0.00 33.01 33.97 2k5j s GLN 73 CO 0.75 -0.16 1.04 1.03 -0.50 0.00 0.00 175.29 177.44 2k5j s ARG 74 N 1.69 4.18 0.51 1.67 0.52 -1.26 -5.06 118.95 121.20 2k5j s ARG 74 Ca -0.09 1.48 0.06 0.00 -0.52 0.00 0.00 55.73 56.66 2k5j s ARG 74 Cb -0.07 -2.52 0.02 0.00 0.52 0.00 0.00 34.95 32.90 2k5j s ARG 74 CO -0.17 -0.12 0.41 -1.59 0.02 0.00 0.00 175.30 173.85 2k5j s LYS 75 N -2.53 2.32 0.06 3.54 0.00 -1.26 -5.14 119.74 116.73 2k5j s LYS 75 Ca 0.58 -1.87 0.07 0.00 0.00 0.00 0.00 55.97 54.75 2k5j s LYS 75 Cb -0.21 -2.19 -0.03 0.00 0.00 0.00 0.00 37.83 35.40 2k5j s LYS 75 CO 0.26 -0.51 -0.19 -0.48 0.00 0.00 0.00 175.35 174.44 2k5j s LEU 76 N -4.25 2.21 0.13 2.77 2.34 -1.26 -5.12 118.68 115.50 2k5j s LEU 76 Ca 0.40 -0.56 -0.30 0.00 0.06 0.00 0.00 54.13 53.73 2k5j s LEU 76 Cb -0.02 -0.84 -0.07 0.00 -0.56 0.00 0.00 46.19 44.70 2k5j s LEU 76 CO 0.24 0.09 1.12 -0.13 -1.06 0.00 0.00 176.35 176.61 2k5j s ARG 77 N -1.40 4.54 0.19 1.48 0.52 -1.26 -4.93 118.95 118.09 2k5j s ARG 77 Ca 0.05 1.72 0.13 0.00 -0.52 0.00 0.00 55.73 57.11 2k5j s ARG 77 Cb -0.09 -3.31 -0.05 0.00 0.52 0.00 0.00 34.95 32.02 2k5j s ARG 77 CO 0.02 -0.03 1.27 1.49 0.02 0.00 0.00 175.30 178.07 2k5j h GLU 78 N 5.70 0.00 -0.60 3.54 4.81 -2.09 -3.46 114.58 122.48 2k5j h GLU 78 Ca -0.43 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.66 2k5j h GLU 78 Cb 1.21 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.54 2k5j h GLU 78 CO 0.75 0.60 -0.13 0.39 -0.73 0.00 0.00 179.01 179.90 2k5j n GLU 79 N -3.20 -1.69 0.00 1.92 1.02 -1.26 -5.38 120.64 112.05 2k5j n GLU 79 Ca -0.01 0.59 0.00 0.00 -0.02 0.00 0.00 57.16 57.72 2k5j n GLU 79 Cb 0.82 -4.66 0.00 0.00 -0.02 0.00 0.00 31.44 27.58 2k5j n GLU 79 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22