#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 -0.66 0.59 3.17 4.22 -1.26 -5.02 114.94 115.98 2k5j s ASN 2 Ca 0.00 1.12 0.37 0.00 -2.14 0.00 0.00 52.86 52.22 2k5j s ASN 2 Cb 0.00 1.03 1.73 0.00 1.28 0.00 0.00 41.25 45.29 2k5j s ASN 2 CO 0.00 -0.21 2.11 0.77 -2.04 0.00 0.00 177.10 177.74 2k5j h SER 3 N 6.69 0.00 -0.67 3.54 4.64 -2.08 -2.71 113.55 122.96 2k5j h SER 3 Ca -0.33 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.96 2k5j h SER 3 Cb 1.20 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.25 2k5j h SER 3 CO 0.23 0.00 0.31 -0.07 -0.87 0.00 0.00 176.83 176.43 2k5j h LEU 4 N 0.00 0.89-10.00 5.97 4.07 -2.07 -3.43 115.31 110.74 2k5j h LEU 4 Ca 0.00 -0.14 -0.54 0.00 0.08 0.00 0.00 57.88 57.28 2k5j h LEU 4 Cb 0.33 -0.23 0.11 0.00 1.08 0.00 0.00 40.66 41.96 2k5j h LEU 4 CO 0.00 0.79 0.64 0.00 -1.08 0.00 0.00 178.44 178.78 2k5j s ALA 5 N -5.66 3.08 0.00 1.53 0.00 -1.03 -4.81 121.76 114.88 2k5j s ALA 5 Ca -0.13 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.16 2k5j s ALA 5 Cb 0.14 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.71 2k5j s ALA 5 CO 0.80 -1.13 0.00 0.41 0.00 0.00 0.00 175.76 175.84 2k5j n GLY 6 N 0.63 1.78 3.46 0.00 0.00 -1.26 -4.89 105.19 104.91 2k5j n GLY 6 Ca 0.07 -1.51 -0.44 0.00 0.00 0.00 0.00 46.02 44.13 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 -0.86 5.06 -1.64 -0.61 1.01 -1.26 -4.54 121.20 118.35 2k5j s ILE 7 Ca 0.00 -2.65 -0.13 0.00 0.00 0.00 0.00 60.65 57.87 2k5j s ILE 7 Cb 0.00 -4.90 0.11 0.00 0.01 0.00 0.00 42.46 37.68 2k5j s ILE 7 CO 0.00 -1.61 0.58 -0.67 0.00 0.00 0.00 174.94 173.25 2k5j n ASP 8 N 5.56 -1.91 -4.47 3.58 4.64 -1.26 -4.92 116.55 117.77 2k5j n ASP 8 Ca 0.36 -1.07 -0.29 0.00 -1.38 0.00 0.00 54.79 52.41 2k5j n ASP 8 Cb 0.43 -2.56 0.15 0.00 -1.04 0.00 0.00 41.12 38.10 2k5j n ASP 8 CO 0.00 0.00 0.00 -0.04 -0.82 0.00 0.00 177.20 176.34 2k5j s MET 9 N -6.93 1.14 0.00 -0.67 -1.94 -1.26 -5.01 119.30 104.62 2k5j s MET 9 Ca 0.49 -0.15 0.02 0.00 -1.71 0.00 0.00 55.69 54.34 2k5j s MET 9 Cb -0.27 -1.88 -0.00 0.00 2.01 0.00 0.00 34.83 34.69 2k5j s MET 9 CO 0.94 -2.12 0.31 0.41 -0.01 0.00 0.00 175.02 174.55 2k5j n GLY 10 N -3.41 -0.19 2.04 -0.03 0.00 -1.26 -5.11 105.19 97.24 2k5j n GLY 10 Ca 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2k5j n GLY 10 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2k5j n ARG 11 N -0.48 -5.17 -4.33 1.61 0.63 -1.26 -5.03 116.66 102.62 2k5j n ARG 11 Ca 0.01 3.66 -0.19 0.00 -0.92 0.00 0.00 57.85 60.41 2k5j n ARG 11 Cb 0.04 -4.02 -0.14 0.00 0.45 0.00 0.00 32.46 28.80 2k5j n ARG 11 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2k5j s ILE 12 N -0.72 0.88 -0.20 5.15 -1.09 -1.26 -5.13 121.20 118.82 2k5j s ILE 12 Ca 0.00 -0.76 -0.10 0.00 -2.23 0.00 0.00 60.65 57.56 2k5j s ILE 12 Cb 0.00 -0.79 -0.05 0.00 -1.58 0.00 0.00 42.46 40.04 2k5j s ILE 12 CO 0.00 0.04 0.15 -0.76 -1.23 0.00 0.00 174.94 173.14 2k5j s LEU 13 N -0.81 4.21 -0.06 2.97 1.43 -1.26 -5.08 118.68 120.08 2k5j s LEU 13 Ca 0.01 0.26 0.04 0.00 -1.03 0.00 0.00 54.13 53.41 2k5j s LEU 13 Cb -0.06 -2.12 -0.00 0.00 0.03 0.00 0.00 46.19 44.04 2k5j s LEU 13 CO 0.00 0.17 -0.18 -0.22 0.23 0.00 0.00 176.35 176.36 2k5j s LEU 14 N 0.38 1.90 -0.28 1.79 2.96 -1.26 -5.12 118.68 119.05 2k5j s LEU 14 Ca 0.09 -0.38 -0.04 0.00 -0.22 0.00 0.00 54.13 53.57 2k5j s LEU 14 Cb -0.11 -1.04 0.02 0.00 0.50 0.00 0.00 46.19 45.57 2k5j s LEU 14 CO -0.01 0.14 0.03 -0.62 -1.32 0.00 0.00 176.35 174.56 2k5j s ASP 15 N 0.16 4.85 0.04 3.68 -1.08 -1.26 -5.09 116.67 117.97 2k5j s ASP 15 Ca -0.07 -0.87 0.07 0.00 -0.52 0.00 0.00 52.55 51.15 2k5j s ASP 15 Cb -0.13 -1.79 -0.02 0.00 -1.46 0.00 0.00 42.92 39.52 2k5j s ASP 15 CO 0.03 -0.19 -0.21 -0.76 0.52 0.00 0.00 175.17 174.56 2k5j s LEU 16 N 1.40 2.16 0.76 -1.34 1.43 -1.26 -5.12 118.68 116.70 2k5j s LEU 16 Ca 0.00 -0.51 -0.15 0.00 -1.03 0.00 0.00 54.13 52.44 2k5j s LEU 16 Cb -0.18 -0.98 0.04 0.00 0.03 0.00 0.00 46.19 45.10 2k5j s LEU 16 CO -0.00 0.17 1.12 -1.20 0.23 0.00 0.00 176.35 176.67 2k5j n SER 17 N 1.90 0.96 -0.14 2.29 7.64 -1.26 -4.88 113.62 120.14 2k5j n SER 17 Ca -0.17 0.65 -0.05 0.00 1.01 0.00 0.00 58.87 60.31 2k5j n SER 17 Cb 0.53 -1.48 0.14 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 -0.45 0.82 -0.76 6.43 2.35 -2.00 -2.59 115.58 119.38 2k5j h ASN 18 Ca -0.47 -0.19 0.07 0.00 -0.55 0.00 0.00 56.30 55.16 2k5j h ASN 18 Cb 1.32 -0.22 -0.05 0.00 0.05 0.00 0.00 38.32 39.42 2k5j h ASN 18 CO 0.47 0.86 0.50 -0.33 -1.65 0.00 0.00 177.43 177.28 2k5j h GLU 19 N 0.82 0.76 -0.33 0.81 4.39 -2.01 -1.72 114.58 117.30 2k5j h GLU 19 Ca 0.16 -0.05 -0.08 0.00 0.34 0.00 0.00 59.36 59.74 2k5j h GLU 19 Cb 0.41 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 2k5j h GLU 19 CO 0.01 0.50 -0.11 0.28 -1.16 0.00 0.00 179.01 178.54 2k5j h VAL 20 N 0.79 1.28 -0.90 3.13 2.07 -1.83 -2.80 116.25 117.99 2k5j h VAL 20 Ca 0.33 -1.18 0.11 0.00 0.82 0.00 0.00 66.70 66.78 2k5j h VAL 20 Cb 0.28 1.36 -0.07 0.00 -1.52 0.00 0.00 31.29 31.34 2k5j h VAL 20 CO -0.12 0.39 0.58 0.40 0.02 0.00 0.00 177.57 178.84 2k5j h ILE 21 N 0.44 0.93 -0.67 4.57 2.04 -1.17 0.13 117.51 123.77 2k5j h ILE 21 Ca 0.08 -0.29 -0.07 0.00 1.00 0.00 0.00 64.86 65.59 2k5j h ILE 21 Cb 0.62 0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 2k5j h ILE 21 CO 0.04 0.15 0.15 0.11 0.00 0.00 0.00 178.15 178.60 2k5j h LYS 22 N 0.84 1.07 -0.06 2.37 1.57 -1.25 0.54 116.57 121.65 2k5j h LYS 22 Ca 0.43 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 2k5j h LYS 22 Cb 0.50 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 2k5j h LYS 22 CO -0.19 0.95 0.01 1.96 -0.57 0.00 0.00 179.45 181.61 2k5j h GLN 23 N 1.02 0.11 -0.89 3.15 4.20 -0.59 -2.49 115.11 119.62 2k5j h GLN 23 Ca 0.21 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.87 2k5j h GLN 23 Cb 0.37 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.10 2k5j h GLN 23 CO 0.00 0.36 0.49 -0.07 -0.67 0.00 0.00 178.83 178.94 2k5j h LEU 24 N -0.16 1.10 -0.38 1.46 3.38 -0.86 -2.46 115.31 117.40 2k5j h LEU 24 Ca 0.02 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 57.94 2k5j h LEU 24 Cb 0.31 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 2k5j h LEU 24 CO 0.00 0.88 0.12 -0.78 0.09 0.00 0.00 178.44 178.74 2k5j h ASP 25 N 1.24 0.10 -0.40 -0.43 1.82 -0.75 1.26 116.42 119.26 2k5j h ASP 25 Ca 0.31 0.05 0.02 0.00 -0.39 0.00 0.00 57.03 57.02 2k5j h ASP 25 Cb 0.02 0.04 -0.03 0.00 0.68 0.00 0.00 39.33 40.04 2k5j h ASP 25 CO -0.05 0.10 0.23 -0.78 -1.61 0.00 0.00 179.24 177.13 2k5j h ASP 26 N 0.26 0.38 0.11 2.28 1.82 -1.04 0.12 116.42 120.36 2k5j h ASP 26 Ca 0.17 0.00 -0.14 0.00 -0.39 0.00 0.00 57.03 56.67 2k5j h ASP 26 Cb 0.17 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.09 2k5j h ASP 26 CO -0.19 0.27 -0.51 -0.07 -1.61 0.00 0.00 179.24 177.13 2k5j h LEU 27 N 0.48 0.49 -0.47 2.28 4.07 -0.97 -2.36 115.31 118.83 2k5j h LEU 27 Ca 0.16 -0.24 -0.09 0.00 0.08 0.00 0.00 57.88 57.79 2k5j h LEU 27 Cb 0.01 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 41.59 2k5j h LEU 27 CO -0.07 0.91 -0.04 -0.08 -1.08 0.00 0.00 178.44 178.07 2k5j h GLU 28 N 0.35 0.86 -0.34 1.13 4.81 0.21 -1.74 114.58 119.86 2k5j h GLU 28 Ca 0.01 -0.30 -0.06 0.00 -0.13 0.00 0.00 59.36 58.89 2k5j h GLU 28 Cb 1.01 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.31 2k5j h GLU 28 CO 0.09 0.93 -0.03 0.28 -0.73 0.00 0.00 179.01 179.54 2k5j h VAL 29 N 0.71 1.27 -0.86 0.32 2.07 -0.73 -0.16 116.25 118.86 2k5j h VAL 29 Ca 0.13 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 2k5j h VAL 29 Cb 0.57 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.56 2k5j h VAL 29 CO 0.03 0.34 0.50 1.56 0.02 0.00 0.00 177.57 180.02 2k5j h GLN 30 N 0.41 1.19 -0.00 1.57 4.20 -1.36 -0.77 115.11 120.35 2k5j h GLN 30 Ca 0.09 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2k5j h GLN 30 Cb 0.50 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 28.04 2k5j h GLN 30 CO 0.02 0.85 -0.10 0.54 -0.67 0.00 0.00 178.83 179.47 2k5j n ARG 31 N -4.35 0.66 -4.30 1.46 1.74 -0.66 -4.92 116.66 106.29 2k5j n ARG 31 Ca 0.09 -0.21 -0.36 0.00 -0.77 0.00 0.00 57.85 56.61 2k5j n ARG 31 Cb 0.08 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 29.97 2k5j n ARG 31 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2k5j n ASN 32 N -0.99 -1.67 -4.12 0.55 0.23 -0.10 -4.92 115.26 104.25 2k5j n ASN 32 Ca 0.14 -1.13 -0.14 0.00 -0.53 0.00 0.00 54.58 52.93 2k5j n ASN 32 Cb 0.27 -2.24 -0.11 0.00 -2.08 0.00 0.00 39.78 35.62 2k5j n ASN 32 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2k5j s LEU 33 N -7.24 2.33 0.53 -4.53 1.43 -1.05 -5.05 118.68 105.09 2k5j s LEU 33 Ca 0.53 -0.69 -0.23 0.00 -1.03 0.00 0.00 54.13 52.71 2k5j s LEU 33 Cb -0.30 -0.22 -0.06 0.00 0.03 0.00 0.00 46.19 45.64 2k5j s LEU 33 CO 0.97 -0.25 1.38 -2.16 0.23 0.00 0.00 176.35 176.52 2k5j s PRO 34 N -2.24 3.26 0.17 1.29 0.04 -1.26 -4.76 135.00 131.50 2k5j s PRO 34 Ca -0.02 2.28 -0.12 0.00 0.04 0.00 0.00 61.00 63.19 2k5j s PRO 34 Cb -0.06 -2.35 0.07 0.00 0.04 0.00 0.00 34.50 32.21 2k5j s PRO 34 CO -0.00 -1.11 1.71 -0.09 0.04 0.00 0.00 177.00 177.55 2k5j h ARG 35 N 1.65 0.90 -0.97 4.56 2.43 -1.98 -2.63 114.38 118.34 2k5j h ARG 35 Ca -0.51 -0.18 0.24 0.00 -0.81 0.00 0.00 59.98 58.72 2k5j h ARG 35 Cb 1.29 -0.14 -0.13 0.00 -0.42 0.00 0.00 29.97 30.58 2k5j h ARG 35 CO 0.58 0.79 0.53 0.00 -1.51 0.00 0.00 179.97 180.36 2k5j h ALA 36 N 1.07 1.69 -0.64 2.80 0.00 -2.00 0.65 119.26 122.84 2k5j h ALA 36 Ca 0.19 0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.18 2k5j h ALA 36 Cb 0.24 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2k5j h ALA 36 CO -0.01 -0.31 0.15 0.22 0.00 0.00 0.00 179.25 179.30 2k5j h ASP 37 N 0.51 0.95 -0.50 0.00 3.58 -1.85 -0.59 116.42 118.51 2k5j h ASP 37 Ca 0.62 -0.19 -0.02 0.00 0.42 0.00 0.00 57.03 57.86 2k5j h ASP 37 Cb 1.20 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.98 2k5j h ASP 37 CO -0.50 0.92 0.24 -0.07 -2.88 0.00 0.00 179.24 176.95 2k5j h LEU 38 N 0.96 0.66 -0.47 2.28 3.38 0.31 -0.57 115.31 121.87 2k5j h LEU 38 Ca 0.20 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 2k5j h LEU 38 Cb 0.35 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2k5j h LEU 38 CO 0.00 0.61 0.14 -0.07 0.09 0.00 0.00 178.44 179.21 2k5j h LEU 39 N 0.67 0.69 -0.46 1.67 3.38 -0.86 0.36 115.31 120.75 2k5j h LEU 39 Ca 0.17 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 57.97 2k5j h LEU 39 Cb 0.12 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 2k5j h LEU 39 CO -0.02 0.72 0.22 0.03 0.09 0.00 0.00 178.44 179.48 2k5j h ARG 40 N 0.62 0.42 -0.38 1.13 2.47 -0.75 0.10 114.38 118.00 2k5j h ARG 40 Ca 0.15 -0.03 -0.15 0.00 -1.26 0.00 0.00 59.98 58.70 2k5j h ARG 40 Cb 0.28 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.50 2k5j h ARG 40 CO -0.00 0.28 -0.34 0.93 0.56 0.00 0.00 179.97 181.40 2k5j h GLU 41 N 0.43 0.90 -0.23 0.04 5.08 -0.89 -0.53 114.58 119.38 2k5j h GLU 41 Ca 0.20 -0.46 0.03 0.00 -1.00 0.00 0.00 59.36 58.13 2k5j h GLU 41 Cb 0.12 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 2k5j h GLU 41 CO -0.15 1.11 0.05 0.00 -1.00 0.00 0.00 179.01 179.02 2k5j h ALA 42 N 0.77 0.24 0.10 3.43 0.00 0.35 0.59 119.26 124.75 2k5j h ALA 42 Ca 0.06 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2k5j h ALA 42 Cb 0.93 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2k5j h ALA 42 CO 0.09 -0.37 -0.05 0.28 0.00 0.00 0.00 179.25 179.20 2k5j h VAL 43 N 0.15 1.07 -0.49 0.00 2.07 -0.78 0.14 116.25 118.41 2k5j h VAL 43 Ca 0.11 -0.70 0.09 0.00 0.82 0.00 0.00 66.70 67.01 2k5j h VAL 43 Cb 0.10 1.51 -0.07 0.00 -1.52 0.00 0.00 31.29 31.31 2k5j h VAL 43 CO -0.13 0.17 0.05 0.44 0.02 0.00 0.00 177.57 178.12 2k5j h ASP 44 N -0.47 -0.10 -0.49 0.57 3.32 -0.87 0.21 116.42 118.59 2k5j h ASP 44 Ca -0.01 0.10 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 2k5j h ASP 44 Cb 0.39 0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 2k5j h ASP 44 CO 0.02 -0.02 0.11 1.56 -1.72 0.00 0.00 179.24 179.19 2k5j h GLN 45 N 0.17 0.85 -0.62 3.56 1.08 0.25 -2.52 115.11 117.88 2k5j h GLN 45 Ca 0.25 -0.19 -0.01 0.00 -1.45 0.00 0.00 58.65 57.25 2k5j h GLN 45 Cb 0.35 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.63 2k5j h GLN 45 CO -0.36 0.78 0.34 -0.92 -0.95 0.00 0.00 178.83 177.73 2k5j h TYR 46 N 0.82 0.85 -0.92 2.96 3.20 0.16 -2.20 116.97 121.84 2k5j h TYR 46 Ca 0.17 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 2k5j h TYR 46 Cb 0.33 -0.27 -0.04 0.00 1.54 0.00 0.00 36.73 38.29 2k5j h TYR 46 CO 0.02 0.61 0.52 -0.07 -1.64 0.00 0.00 178.16 177.60 2k5j h LEU 47 N 0.84 1.13 -0.53 2.82 3.38 -0.36 -2.02 115.31 120.58 2k5j h LEU 47 Ca 0.22 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2k5j h LEU 47 Cb 0.04 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 2k5j h LEU 47 CO -0.04 0.90 0.30 0.40 0.09 0.00 0.00 178.44 180.09 2k5j h ILE 48 N 1.28 1.18 -0.42 1.22 2.04 -1.03 -1.79 117.51 119.98 2k5j h ILE 48 Ca 0.32 -0.44 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 2k5j h ILE 48 Cb 0.00 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 2k5j h ILE 48 CO -0.05 0.19 0.19 -1.13 0.00 0.00 0.00 178.15 177.34 2k5j h ASN 49 N 0.71 0.52 0.00 1.72 -1.24 -0.95 -2.46 115.58 113.87 2k5j h ASN 49 Ca 0.19 -0.04 0.00 0.00 0.71 0.00 0.00 56.30 57.15 2k5j h ASN 49 Cb 0.04 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 38.95 2k5j h ASN 49 CO -0.03 0.45 0.00 0.00 -1.29 0.00 0.00 177.43 176.56 2k5j n GLN 50 N -4.40 0.50 0.00 6.67 3.00 -0.67 -4.87 117.38 117.61 2k5j n GLN 50 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 2k5j n GLN 50 Cb 0.13 -1.25 0.00 0.00 0.00 0.00 0.00 30.24 29.12 2k5j n GLN 50 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2k5j n SER 51 N 1.71 0.00 -1.46 1.08 2.88 -0.93 -5.02 113.62 111.88 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 0.25 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 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 0.00 0.00 -2.38 -1.46 7.27 -1.26 -4.40 117.38 115.15 2k5j n GLN 52 Ca 0.00 0.36 -0.01 0.00 0.07 0.00 0.00 57.00 57.42 2k5j n GLN 52 Cb 0.00 -1.46 -0.01 0.00 2.41 0.00 0.00 30.24 31.18 2k5j n GLN 52 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 2k5j n THR 53 N -1.10 -9.13 -2.45 1.69 -1.04 -1.26 -4.95 114.28 96.03 2k5j n THR 53 Ca 0.00 2.09 -0.03 0.00 -2.04 0.00 0.00 64.05 64.07 2k5j n THR 53 Cb 0.49 -4.79 0.05 0.00 -1.82 0.00 0.00 70.33 64.26 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 1.93 3.16 -1.37 2.41 0.00 -1.26 -5.02 120.51 120.36 2k5j n ALA 54 Ca -0.08 -1.06 0.10 0.00 0.00 0.00 0.00 53.44 52.41 2k5j n ALA 54 Cb 0.12 -0.66 -0.06 0.00 0.00 0.00 0.00 19.45 18.86 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 -0.90 -3.02 -2.89 0.00 3.00 -1.26 -4.91 116.66 106.68 2k5j n ARG 55 Ca -0.19 2.43 -0.25 0.00 -0.01 0.00 0.00 57.85 59.84 2k5j n ARG 55 Cb 0.82 -3.41 0.01 0.00 0.00 0.00 0.00 32.46 29.88 2k5j n ARG 55 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 2k5j s THR 56 N -4.70 4.31 0.13 0.55 -4.23 -1.26 -5.00 115.64 105.45 2k5j s THR 56 Ca 0.00 -0.28 0.00 0.00 -1.18 0.00 0.00 61.69 60.23 2k5j s THR 56 Cb 0.00 -3.62 0.00 0.00 1.34 0.00 0.00 72.50 70.22 2k5j s THR 56 CO 0.00 -0.49 0.00 -0.24 -0.54 0.00 0.00 174.62 173.35 2k5j n SER 57 N -2.14 -0.84 -3.71 3.99 2.88 -1.26 -5.14 113.62 107.39 2k5j n SER 57 Ca 0.01 0.25 -0.14 0.00 -1.33 0.00 0.00 58.87 57.66 2k5j n SER 57 Cb 0.57 1.00 -0.09 0.00 -0.75 0.00 0.00 64.21 64.94 2k5j n SER 57 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2k5j s VAL 58 N -2.00 0.02 0.12 2.46 1.01 -1.26 -5.13 120.40 115.61 2k5j s VAL 58 Ca 0.00 -0.13 -0.35 0.00 0.00 0.00 0.00 61.98 61.50 2k5j s VAL 58 Cb 0.00 -0.65 -0.17 0.00 0.00 0.00 0.00 36.38 35.56 2k5j s VAL 58 CO 0.00 -0.07 1.07 -2.65 0.00 0.00 0.00 175.10 173.45 2k5j n PRO 59 N 2.23 0.69 -1.75 2.72 -0.02 -1.26 -4.82 135.00 132.79 2k5j n PRO 59 Ca -0.16 0.25 -0.42 0.00 -2.02 0.00 0.00 63.50 61.15 2k5j n PRO 59 Cb 0.57 -1.70 -0.03 0.00 -0.02 0.00 0.00 33.50 32.32 2k5j n PRO 59 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2k5j s GLY 60 N -0.07 1.37 -0.41 -1.23 0.00 -1.26 -4.96 107.32 100.76 2k5j s GLY 60 Ca 0.78 1.42 -0.15 0.00 0.00 0.00 0.00 44.72 46.77 2k5j s GLY 60 CO 0.53 3.07 0.33 -0.42 0.00 0.00 0.00 173.10 176.62 2k5j s ILE 61 N 2.56 5.22 -0.18 0.90 1.01 -1.26 -4.93 121.20 124.53 2k5j s ILE 61 Ca 0.79 -0.53 -0.15 0.00 0.00 0.00 0.00 60.65 60.76 2k5j s ILE 61 Cb -0.45 -3.94 -0.22 0.00 0.01 0.00 0.00 42.46 37.86 2k5j s ILE 61 CO 0.35 -0.31 0.25 0.79 0.00 0.00 0.00 174.94 176.03 2k5j n TRP 62 N 5.27 1.08 -2.91 3.97 8.01 -1.26 -4.92 117.44 126.68 2k5j n TRP 62 Ca -0.10 0.36 -0.34 0.00 -1.31 0.00 0.00 57.50 56.11 2k5j n TRP 62 Cb 0.47 -1.12 -0.07 0.00 -2.01 0.00 0.00 31.31 28.59 2k5j n TRP 62 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.69 176.03 2k5j s GLN 63 N -2.44 4.26 -0.35 -0.99 -0.21 -1.26 -5.01 119.66 113.66 2k5j s GLN 63 Ca -0.27 1.04 0.15 0.00 0.02 0.00 0.00 55.36 56.31 2k5j s GLN 63 Cb 0.06 -2.44 0.44 0.00 1.00 0.00 0.00 33.01 32.08 2k5j s GLN 63 CO 0.66 0.12 0.96 0.41 -2.12 0.00 0.00 175.29 175.32 2k5j n GLY 64 N -0.18 2.45 1.13 3.09 0.00 -1.26 -5.11 105.19 105.31 2k5j n GLY 64 Ca 0.04 -1.59 0.14 0.00 0.00 0.00 0.00 46.02 44.62 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 -3.59 4.74 0.79 0.00 8.01 -1.26 -5.04 118.70 122.35 2k5j s GLU 66 Ca 0.00 1.64 -0.12 0.00 0.01 0.00 0.00 54.97 56.50 2k5j s GLU 66 Cb 0.00 -3.25 0.07 0.00 -4.31 0.00 0.00 34.13 26.64 2k5j s GLU 66 CO 0.00 0.34 1.16 -1.21 0.01 0.00 0.00 175.26 175.56 2k5j s GLU 67 N -1.18 2.13 0.40 1.61 8.01 -1.26 -5.00 118.70 123.40 2k5j s GLU 67 Ca 0.43 0.21 -0.27 0.00 0.01 0.00 0.00 54.97 55.36 2k5j s GLU 67 Cb -0.29 -1.96 -0.09 0.00 -4.31 0.00 0.00 34.13 27.48 2k5j s GLU 67 CO 0.36 -1.50 1.35 -0.51 0.01 0.00 0.00 175.26 174.97 2k5j s ASP 68 N -4.49 6.31 0.00 -0.19 -0.00 -1.26 -4.48 116.67 112.57 2k5j s ASP 68 Ca 0.61 2.76 0.00 0.00 -0.00 0.00 0.00 52.55 55.92 2k5j s ASP 68 Cb -0.11 -2.65 0.00 0.00 -0.00 0.00 0.00 42.92 40.16 2k5j s ASP 68 CO 0.50 -0.86 0.00 0.61 -0.00 0.00 0.00 175.17 175.42 2k5j n GLY 69 N 0.64 0.18 1.79 0.21 0.00 -1.26 -4.98 105.19 101.77 2k5j n GLY 69 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2k5j n GLY 69 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2k5j n VAL 70 N 0.00 0.99 1.16 1.61 0.24 -1.26 -4.81 118.33 116.26 2k5j n VAL 70 Ca 0.00 -2.26 0.11 0.00 -2.04 0.00 0.00 64.34 60.15 2k5j n VAL 70 Cb 0.00 0.66 0.59 0.00 -1.47 0.00 0.00 33.84 33.62 2k5j n VAL 70 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 2k5j n GLU 71 N -0.21 0.45 -1.65 7.34 0.28 -1.26 -4.99 120.64 120.60 2k5j n GLU 71 Ca 0.12 0.05 0.00 0.00 -0.16 0.00 0.00 57.16 57.18 2k5j n GLU 71 Cb 0.96 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 32.33 2k5j n GLU 71 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2k5j n TYR 72 N -1.19 -4.39 -0.76 -1.84 4.01 -1.26 -4.86 117.16 106.86 2k5j n TYR 72 Ca 0.13 2.36 -0.27 0.00 -0.16 0.00 0.00 57.90 59.96 2k5j n TYR 72 Cb 0.14 -3.57 0.09 0.00 -0.31 0.00 0.00 39.34 35.69 2k5j n TYR 72 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2k5j n GLN 73 N -1.81 -0.98 -0.20 -0.72 0.00 -1.26 -4.83 117.38 107.57 2k5j n GLN 73 Ca 0.00 -0.28 0.07 0.00 0.00 0.00 0.00 57.00 56.78 2k5j n GLN 73 Cb 0.25 -1.30 0.18 0.00 0.00 0.00 0.00 30.24 29.37 2k5j n GLN 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2k5j n ARG 74 N 0.16 1.94 -2.93 2.61 1.74 -1.26 -4.97 116.66 113.94 2k5j n ARG 74 Ca 0.01 -1.46 -0.08 0.00 -0.77 0.00 0.00 57.85 55.54 2k5j n ARG 74 Cb 0.52 -1.32 0.01 0.00 -1.02 0.00 0.00 32.46 30.65 2k5j n ARG 74 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2k5j n LYS 75 N 0.69 -2.48 -0.23 5.56 5.02 -1.26 -4.89 118.16 120.56 2k5j n LYS 75 Ca 0.14 2.12 -0.07 0.00 -2.02 0.00 0.00 58.31 58.48 2k5j n LYS 75 Cb 0.34 -4.54 0.04 0.00 -0.02 0.00 0.00 35.03 30.85 2k5j n LYS 75 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2k5j h LEU 76 N 2.59 0.91 -9.84 -0.35 -0.00 -2.03 -3.42 115.31 103.16 2k5j h LEU 76 Ca -0.08 -0.18 -0.49 0.00 -0.00 0.00 0.00 57.88 57.14 2k5j h LEU 76 Cb 0.70 -0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 41.10 2k5j h LEU 76 CO 0.14 0.84 0.27 -0.13 -0.00 0.00 0.00 178.44 179.56 2k5j s ARG 77 N -5.53 4.53 -0.05 1.13 0.52 -1.26 -5.07 118.95 113.22 2k5j s ARG 77 Ca -0.13 1.21 0.03 0.00 -0.52 0.00 0.00 55.73 56.32 2k5j s ARG 77 Cb 0.14 -2.92 0.01 0.00 0.52 0.00 0.00 34.95 32.69 2k5j s ARG 77 CO 0.81 0.37 -0.13 -1.21 0.02 0.00 0.00 175.30 175.16 2k5j s GLU 78 N -1.84 1.48 -0.15 3.54 2.02 -1.26 -4.96 118.70 117.54 2k5j s GLU 78 Ca 0.46 -0.43 -0.06 0.00 0.02 0.00 0.00 54.97 54.95 2k5j s GLU 78 Cb -0.19 -1.29 0.02 0.00 0.10 0.00 0.00 34.13 32.77 2k5j s GLU 78 CO 0.24 0.11 0.12 0.39 0.02 0.00 0.00 175.26 176.15 2k5j n GLU 79 N 3.47 -3.22 -0.21 1.61 1.02 -1.26 -5.29 120.64 116.75 2k5j n GLU 79 Ca -0.20 2.57 0.00 0.00 -0.02 0.00 0.00 57.16 59.51 2k5j n GLU 79 Cb 0.53 -3.74 0.00 0.00 -0.02 0.00 0.00 31.44 28.20 2k5j n GLU 79 CO 0.00 0.00 0.00 1.87 1.18 0.00 0.00 177.13 180.18