#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 -5.54 -0.07 3.17 5.15 -1.26 -4.91 115.26 111.81 2k5j n ASN 2 Ca 0.00 -0.67 -0.10 0.00 -0.60 0.00 0.00 54.58 53.21 2k5j n ASN 2 Cb 0.00 -4.40 -0.09 0.00 -0.53 0.00 0.00 39.78 34.76 2k5j n ASN 2 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 2k5j h SER 3 N -2.37 0.00 -3.20 1.20 4.64 -2.13 -3.45 113.55 108.24 2k5j h SER 3 Ca -0.58 -0.69 -0.60 0.00 -0.47 0.00 0.00 61.79 59.46 2k5j h SER 3 Cb 1.37 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.38 2k5j h SER 3 CO 0.62 0.88 -0.29 -0.76 -0.87 0.00 0.00 176.83 176.41 2k5j s LEU 4 N -8.30 4.30 -1.12 5.97 1.02 -1.26 -5.00 118.68 114.29 2k5j s LEU 4 Ca -0.14 0.63 -0.03 0.00 0.02 0.00 0.00 54.13 54.61 2k5j s LEU 4 Cb -0.02 -2.43 0.26 0.00 0.02 0.00 0.00 46.19 44.02 2k5j s LEU 4 CO 0.49 0.15 1.95 0.00 0.02 0.00 0.00 176.35 178.96 2k5j n ALA 5 N 3.16 6.18 -1.55 4.21 0.00 -1.26 -5.01 120.51 126.24 2k5j n ALA 5 Ca -0.12 -4.48 -0.32 0.00 0.00 0.00 0.00 53.44 48.52 2k5j n ALA 5 Cb 0.52 -2.38 0.04 0.00 0.00 0.00 0.00 19.45 17.63 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 -0.85 1.88 -0.48 0.00 0.00 -1.26 -5.00 107.32 101.60 2k5j s GLY 6 Ca 0.42 0.27 -0.16 0.00 0.00 0.00 0.00 44.72 45.25 2k5j s GLY 6 CO -0.10 0.59 0.43 -0.42 0.00 0.00 0.00 173.10 173.60 2k5j s ILE 7 N -2.74 5.19 -1.04 0.90 -1.09 -1.26 -4.99 121.20 116.16 2k5j s ILE 7 Ca 0.61 -1.04 -0.06 0.00 -2.23 0.00 0.00 60.65 57.93 2k5j s ILE 7 Cb -0.16 -4.16 0.27 0.00 -1.58 0.00 0.00 42.46 36.83 2k5j s ILE 7 CO 0.47 -0.63 1.08 -0.67 -1.23 0.00 0.00 174.94 173.96 2k5j n ASP 8 N 5.31 5.27 -1.95 3.58 4.64 -1.26 -4.93 116.55 127.21 2k5j n ASP 8 Ca -0.12 -3.13 0.00 0.00 -1.38 0.00 0.00 54.79 50.16 2k5j n ASP 8 Cb 0.44 -1.26 0.00 0.00 -1.04 0.00 0.00 41.12 39.26 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 2.32 -4.35 0.01 -0.67 2.81 -1.26 -4.50 117.12 111.49 2k5j n MET 9 Ca 0.24 3.08 0.21 0.00 -1.81 0.00 0.00 57.70 59.42 2k5j n MET 9 Cb 0.38 -3.46 0.55 0.00 -0.71 0.00 0.00 33.22 29.98 2k5j n MET 9 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 2k5j h GLY 10 N 3.90 0.00 -4.41 3.03 0.00 -2.02 -3.46 103.07 100.11 2k5j h GLY 10 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2k5j h GLY 10 CO 0.00 0.00 -0.96 -2.13 0.00 0.00 0.00 176.54 173.45 2k5j n ARG 11 N -3.30 -5.60 -4.25 4.80 0.63 -1.26 -5.05 116.66 102.63 2k5j n ARG 11 Ca 0.12 3.96 -0.17 0.00 -0.92 0.00 0.00 57.85 60.84 2k5j n ARG 11 Cb 1.01 -4.30 -0.11 0.00 0.45 0.00 0.00 32.46 29.51 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 -0.77 1.32 -0.19 5.15 1.01 -1.26 -5.14 121.20 121.31 2k5j s ILE 12 Ca 0.00 -1.80 -0.08 0.00 0.00 0.00 0.00 60.65 58.77 2k5j s ILE 12 Cb 0.00 -1.61 -0.04 0.00 0.01 0.00 0.00 42.46 40.82 2k5j s ILE 12 CO 0.00 -0.49 0.09 -0.76 0.00 0.00 0.00 174.94 173.78 2k5j s LEU 13 N -2.62 3.92 -0.09 2.97 1.43 -1.26 -5.09 118.68 117.94 2k5j s LEU 13 Ca 0.11 0.11 0.04 0.00 -1.03 0.00 0.00 54.13 53.35 2k5j s LEU 13 Cb -0.03 -2.00 -0.01 0.00 0.03 0.00 0.00 46.19 44.17 2k5j s LEU 13 CO 0.03 0.16 -0.20 -0.76 0.23 0.00 0.00 176.35 175.81 2k5j s LEU 14 N 0.48 2.37 -0.15 1.79 2.01 -1.26 -5.12 118.68 118.80 2k5j s LEU 14 Ca 0.05 -0.42 -0.02 0.00 0.01 0.00 0.00 54.13 53.75 2k5j s LEU 14 Cb -0.12 -1.48 -0.02 0.00 0.01 0.00 0.00 46.19 44.58 2k5j s LEU 14 CO 0.00 0.22 -0.08 -1.81 1.01 0.00 0.00 176.35 175.69 2k5j s ASP 15 N -0.01 4.35 0.01 2.29 1.01 -1.26 -5.11 116.67 117.95 2k5j s ASP 15 Ca -0.06 -0.26 0.03 0.00 0.71 0.00 0.00 52.55 52.97 2k5j s ASP 15 Cb -0.15 -1.69 -0.01 0.00 1.01 0.00 0.00 42.92 42.08 2k5j s ASP 15 CO 0.05 0.14 -0.09 -0.76 0.21 0.00 0.00 175.17 174.72 2k5j s LEU 16 N 0.49 2.10 0.67 1.23 1.43 -1.26 -5.14 118.68 118.21 2k5j s LEU 16 Ca -0.06 -0.29 -0.17 0.00 -1.03 0.00 0.00 54.13 52.58 2k5j s LEU 16 Cb -0.15 -0.40 0.01 0.00 0.03 0.00 0.00 46.19 45.67 2k5j s LEU 16 CO 0.04 0.03 1.24 -0.44 0.23 0.00 0.00 176.35 177.44 2k5j s SER 17 N -0.66 4.54 0.60 2.29 0.01 -1.26 -4.79 113.70 114.44 2k5j s SER 17 Ca 0.00 2.46 0.31 0.00 1.31 0.00 0.00 55.95 60.03 2k5j s SER 17 Cb -0.05 -2.60 1.82 0.00 0.21 0.00 0.00 66.02 65.39 2k5j s SER 17 CO 0.00 -2.03 2.19 -0.55 0.41 0.00 0.00 173.24 173.25 2k5j h ASN 18 N 0.24 0.00 -0.28 2.44 -0.00 -2.00 -0.42 115.58 115.56 2k5j h ASN 18 Ca -0.49 0.00 -0.19 0.00 -0.00 0.00 0.00 56.30 55.62 2k5j h ASN 18 Cb 1.31 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.63 2k5j h ASN 18 CO 0.52 0.00 -0.56 -0.33 -0.00 0.00 0.00 177.43 177.06 2k5j h GLU 19 N 0.00 0.88 -0.32 4.14 4.39 -2.00 -2.87 114.58 118.80 2k5j h GLU 19 Ca 0.04 -0.56 -0.12 0.00 0.34 0.00 0.00 59.36 59.05 2k5j h GLU 19 Cb 0.25 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 2k5j h GLU 19 CO -0.00 1.20 -0.29 0.28 -1.16 0.00 0.00 179.01 179.04 2k5j h VAL 20 N 0.67 1.29 -0.99 3.13 2.07 -1.44 -2.90 116.25 118.09 2k5j h VAL 20 Ca 0.01 -1.46 0.08 0.00 0.82 0.00 0.00 66.70 66.16 2k5j h VAL 20 Cb 1.17 1.52 -0.07 0.00 -1.52 0.00 0.00 31.29 32.38 2k5j h VAL 20 CO 0.12 0.47 0.63 0.40 0.02 0.00 0.00 177.57 179.22 2k5j h ILE 21 N 0.52 1.03 -0.39 4.57 2.04 -1.39 0.80 117.51 124.69 2k5j h ILE 21 Ca 0.05 -0.38 -0.06 0.00 1.00 0.00 0.00 64.86 65.48 2k5j h ILE 21 Cb 0.86 -0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 2k5j h ILE 21 CO 0.07 0.20 0.00 0.50 0.00 0.00 0.00 178.15 178.92 2k5j h LYS 22 N 1.09 0.62 -0.17 2.37 3.64 -1.40 0.58 116.57 123.31 2k5j h LYS 22 Ca 0.44 -0.15 -0.06 0.00 -1.27 0.00 0.00 60.65 59.62 2k5j h LYS 22 Cb 0.27 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2k5j h LYS 22 CO -0.19 0.65 -0.13 1.96 -2.27 0.00 0.00 179.45 179.46 2k5j h GLN 23 N 0.59 0.39 -0.56 1.90 4.20 -0.74 -2.31 115.11 118.59 2k5j h GLN 23 Ca 0.12 -0.19 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 2k5j h GLN 23 Cb 0.38 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 2k5j h GLN 23 CO 0.01 0.73 0.21 -0.07 -0.67 0.00 0.00 178.83 179.05 2k5j h LEU 24 N 0.06 0.79 -0.26 1.46 3.38 -0.74 -1.50 115.31 118.50 2k5j h LEU 24 Ca 0.03 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 57.86 2k5j h LEU 24 Cb 0.64 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 2k5j h LEU 24 CO 0.03 0.75 0.05 -0.78 0.09 0.00 0.00 178.44 178.59 2k5j h ASP 25 N 0.77 0.02 -0.24 -0.43 1.82 -0.86 0.95 116.42 118.46 2k5j h ASP 25 Ca 0.19 0.04 -0.00 0.00 -0.39 0.00 0.00 57.03 56.87 2k5j h ASP 25 Cb 0.22 0.05 -0.01 0.00 0.68 0.00 0.00 39.33 40.27 2k5j h ASP 25 CO -0.01 0.04 0.15 -0.78 -1.61 0.00 0.00 179.24 177.03 2k5j h ASP 26 N 0.15 0.28 0.12 2.28 1.82 -1.23 -1.42 116.42 118.42 2k5j h ASP 26 Ca 0.12 -0.04 -0.08 0.00 -0.39 0.00 0.00 57.03 56.64 2k5j h ASP 26 Cb 0.12 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 40.04 2k5j h ASP 26 CO -0.15 0.24 -0.27 -0.07 -1.61 0.00 0.00 179.24 177.37 2k5j h LEU 27 N 0.30 0.26 -0.74 2.28 3.38 -0.87 -2.82 115.31 117.10 2k5j h LEU 27 Ca 0.08 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 2k5j h LEU 27 Cb 0.01 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2k5j h LEU 27 CO -0.02 0.53 0.02 -0.08 0.09 0.00 0.00 178.44 178.99 2k5j h GLU 28 N 0.23 0.99 -0.69 1.13 4.22 0.15 -2.31 114.58 118.30 2k5j h GLU 28 Ca 0.03 -0.29 -0.02 0.00 0.08 0.00 0.00 59.36 59.17 2k5j h GLU 28 Cb 0.61 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 2k5j h GLU 28 CO 0.04 0.96 0.34 0.28 -2.18 0.00 0.00 179.01 178.45 2k5j h VAL 29 N 0.91 1.23 -0.40 0.32 2.07 -1.02 0.42 116.25 119.77 2k5j h VAL 29 Ca 0.17 -0.62 -0.04 0.00 0.82 0.00 0.00 66.70 67.03 2k5j h VAL 29 Cb 0.50 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 2k5j h VAL 29 CO 0.02 0.26 0.09 1.56 0.02 0.00 0.00 177.57 179.52 2k5j h GLN 30 N 0.95 0.65 0.00 1.57 4.20 -1.43 -2.76 115.11 118.30 2k5j h GLN 30 Ca 0.24 -0.16 -0.07 0.00 0.06 0.00 0.00 58.65 58.71 2k5j h GLN 30 Cb 0.10 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 2k5j h GLN 30 CO -0.03 0.68 -0.35 0.00 -0.67 0.00 0.00 178.83 178.47 2k5j h ARG 31 N 0.51 0.00 -5.93 1.46 -0.00 -1.18 -3.47 114.38 105.76 2k5j h ARG 31 Ca 0.12 0.00 -0.40 0.00 -0.50 0.00 0.00 59.98 59.21 2k5j h ARG 31 Cb 0.33 0.00 0.09 0.00 0.00 0.00 0.00 29.97 30.40 2k5j h ARG 31 CO 0.00 0.35 -0.77 -1.71 0.00 0.00 0.00 179.97 177.84 2k5j n ASN 32 N -3.39 -3.17 -4.08 7.04 5.15 0.14 -4.99 115.26 111.96 2k5j n ASN 32 Ca 0.01 -0.69 -0.08 0.00 -0.60 0.00 0.00 54.58 53.22 2k5j n ASN 32 Cb 0.54 -4.58 -0.10 0.00 -0.53 0.00 0.00 39.78 35.11 2k5j n ASN 32 CO 0.00 0.00 0.00 -1.48 1.40 0.00 0.00 177.26 177.18 2k5j s LEU 33 N -6.81 2.29 0.44 1.20 2.34 -1.21 -5.07 118.68 111.85 2k5j s LEU 33 Ca 0.24 -1.01 -0.26 0.00 0.06 0.00 0.00 54.13 53.16 2k5j s LEU 33 Cb -0.11 0.28 -0.09 0.00 -0.56 0.00 0.00 46.19 45.71 2k5j s LEU 33 CO 0.77 -0.63 1.42 -2.16 -1.06 0.00 0.00 176.35 174.69 2k5j s PRO 34 N -3.94 3.74 0.21 1.48 0.04 -1.26 -4.88 135.00 130.40 2k5j s PRO 34 Ca 0.10 2.42 -0.09 0.00 0.04 0.00 0.00 61.00 63.46 2k5j s PRO 34 Cb 0.08 -2.69 0.17 0.00 0.04 0.00 0.00 34.50 32.09 2k5j s PRO 34 CO -0.08 -0.77 1.85 0.00 0.04 0.00 0.00 177.00 178.04 2k5j h ARG 35 N 2.41 1.09 -1.02 4.56 3.08 -1.98 -2.11 114.38 120.41 2k5j h ARG 35 Ca -0.51 -0.11 0.25 0.00 0.07 0.00 0.00 59.98 59.68 2k5j h ARG 35 Cb 1.26 -0.22 -0.11 0.00 0.08 0.00 0.00 29.97 30.98 2k5j h ARG 35 CO 0.61 0.78 0.63 0.00 -1.07 0.00 0.00 179.97 180.92 2k5j h ALA 36 N 1.25 1.98 -0.45 0.04 0.00 -1.99 0.50 119.26 120.58 2k5j h ALA 36 Ca 0.28 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 55.17 2k5j h ALA 36 Cb -0.02 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2k5j h ALA 36 CO -0.05 -0.41 -0.18 -0.44 0.00 0.00 0.00 179.25 178.18 2k5j h ASP 37 N 0.52 0.89 -0.35 0.00 5.19 -1.76 -0.91 116.42 120.00 2k5j h ASP 37 Ca 0.61 -0.31 -0.05 0.00 -0.62 0.00 0.00 57.03 56.67 2k5j h ASP 37 Cb 1.31 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 40.56 2k5j h ASP 37 CO -0.38 1.05 0.03 -0.07 -3.12 0.00 0.00 179.24 176.75 2k5j h LEU 38 N 0.77 0.58 -0.40 1.55 3.38 0.01 -1.99 115.31 119.21 2k5j h LEU 38 Ca 0.11 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 2k5j h LEU 38 Cb 0.71 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 2k5j h LEU 38 CO 0.05 0.72 0.10 -0.07 0.09 0.00 0.00 178.44 179.33 2k5j h LEU 39 N 0.42 0.61 -0.65 1.67 3.38 -0.89 -1.57 115.31 118.28 2k5j h LEU 39 Ca 0.10 -0.23 0.05 0.00 0.09 0.00 0.00 57.88 57.89 2k5j h LEU 39 Cb 0.41 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 2k5j h LEU 39 CO 0.01 0.68 0.37 -0.09 0.09 0.00 0.00 178.44 179.50 2k5j h ARG 40 N 0.51 0.67 -0.72 1.13 2.43 -1.09 -1.38 114.38 115.93 2k5j h ARG 40 Ca 0.13 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.19 2k5j h ARG 40 Cb 0.31 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 2k5j h ARG 40 CO 0.00 0.44 0.21 0.93 -1.51 0.00 0.00 179.97 180.04 2k5j h GLU 41 N 0.69 1.12 -0.33 0.20 5.08 -1.16 -0.05 114.58 120.13 2k5j h GLU 41 Ca 0.29 -0.25 0.04 0.00 -1.00 0.00 0.00 59.36 58.44 2k5j h GLU 41 Cb 0.16 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 2k5j h GLU 41 CO -0.17 0.97 0.10 0.00 -1.00 0.00 0.00 179.01 178.91 2k5j h ALA 42 N 1.14 0.37 0.16 3.43 0.00 -0.25 0.52 119.26 124.64 2k5j h ALA 42 Ca 0.23 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 2k5j h ALA 42 Cb 0.32 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2k5j h ALA 42 CO -0.00 -0.30 -0.08 0.28 0.00 0.00 0.00 179.25 179.15 2k5j h VAL 43 N 0.24 0.96 -0.72 0.00 2.07 -1.09 -1.10 116.25 116.61 2k5j h VAL 43 Ca 0.15 -0.71 0.12 0.00 0.82 0.00 0.00 66.70 67.08 2k5j h VAL 43 Cb 0.13 1.39 -0.09 0.00 -1.52 0.00 0.00 31.29 31.21 2k5j h VAL 43 CO -0.16 0.16 0.30 0.44 0.02 0.00 0.00 177.57 178.32 2k5j h ASP 44 N -0.57 0.30 -0.84 0.57 5.19 -0.79 0.14 116.42 120.41 2k5j h ASP 44 Ca -0.02 0.09 -0.03 0.00 -0.62 0.00 0.00 57.03 56.45 2k5j h ASP 44 Cb 0.43 0.06 -0.04 0.00 0.18 0.00 0.00 39.33 39.97 2k5j h ASP 44 CO 0.04 0.14 0.40 1.56 -3.12 0.00 0.00 179.24 178.26 2k5j h GLN 45 N 0.47 1.22 -0.71 3.56 1.08 0.11 -1.86 115.11 118.98 2k5j h GLN 45 Ca 0.38 -0.18 -0.02 0.00 -1.45 0.00 0.00 58.65 57.38 2k5j h GLN 45 Cb 0.52 -0.22 -0.03 0.00 -0.05 0.00 0.00 27.48 27.70 2k5j h GLN 45 CO -0.36 0.94 0.35 -0.92 -0.95 0.00 0.00 178.83 177.89 2k5j h TYR 46 N 1.21 1.02 -0.67 2.96 3.20 0.51 -2.00 116.97 123.19 2k5j h TYR 46 Ca 0.29 -0.04 -0.03 0.00 3.14 0.00 0.00 58.73 62.09 2k5j h TYR 46 Cb 0.12 -0.32 -0.03 0.00 1.54 0.00 0.00 36.73 38.04 2k5j h TYR 46 CO 0.02 0.75 0.30 -0.07 -1.64 0.00 0.00 178.16 177.51 2k5j h LEU 47 N 0.99 0.90 -0.50 2.82 3.38 -0.45 -0.50 115.31 121.95 2k5j h LEU 47 Ca 0.25 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2k5j h LEU 47 Cb 0.10 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2k5j h LEU 47 CO -0.03 0.80 0.30 0.40 0.09 0.00 0.00 178.44 179.99 2k5j h ILE 48 N 0.94 1.16 -0.35 1.22 2.04 -0.99 -2.22 117.51 119.31 2k5j h ILE 48 Ca 0.23 -0.37 -0.08 0.00 1.00 0.00 0.00 64.86 65.64 2k5j h ILE 48 Cb 0.16 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 2k5j h ILE 48 CO -0.02 0.16 -0.10 -1.13 0.00 0.00 0.00 178.15 177.06 2k5j h ASN 49 N 0.67 0.58 -0.03 1.72 -1.24 -1.10 -0.36 115.58 115.83 2k5j h ASN 49 Ca 0.18 -0.15 -0.01 0.00 0.71 0.00 0.00 56.30 57.03 2k5j h ASN 49 Cb 0.00 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 38.89 2k5j h ASN 49 CO -0.03 0.72 0.01 0.00 -1.29 0.00 0.00 177.43 176.84 2k5j n GLN 50 N -4.20 1.11 0.07 6.67 1.13 -0.22 -2.90 117.38 119.04 2k5j n GLN 50 Ca 0.01 -0.13 0.00 0.00 -1.94 0.00 0.00 57.00 54.94 2k5j n GLN 50 Cb 0.33 -1.31 0.00 0.00 0.11 0.00 0.00 30.24 29.37 2k5j n GLN 50 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 2k5j n SER 51 N 0.21 -0.17 -0.14 1.08 3.41 -0.80 -4.64 113.62 112.58 2k5j n SER 51 Ca 0.02 0.23 -0.09 0.00 -0.26 0.00 0.00 58.87 58.76 2k5j n SER 51 Cb 0.41 0.27 -0.01 0.00 -0.26 0.00 0.00 64.21 64.62 2k5j n SER 51 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2k5j h GLN 52 N 0.00 0.65 0.00 4.33 1.08 -1.20 -3.45 115.11 116.52 2k5j h GLN 52 Ca 0.00 -0.15 -0.23 0.00 -1.45 0.00 0.00 58.65 56.82 2k5j h GLN 52 Cb 0.00 -0.09 -0.06 0.00 -0.05 0.00 0.00 27.48 27.28 2k5j h GLN 52 CO 0.00 0.67 -0.20 0.25 -0.95 0.00 0.00 178.83 178.60 2k5j n THR 53 N -4.56 0.00 0.00 -0.54 -2.24 -1.14 -4.94 114.28 100.85 2k5j n THR 53 Ca -0.00 -1.24 0.00 0.00 -2.27 0.00 0.00 64.05 60.54 2k5j n THR 53 Cb 0.20 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 2k5j n THR 53 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k5j n ALA 54 N -1.70 0.00 -0.33 6.98 0.00 -1.26 -4.19 120.51 120.01 2k5j n ALA 54 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2k5j n ALA 54 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.79 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 0.00 0.00 -1.99 0.00 1.74 -1.26 -4.45 116.66 110.70 2k5j n ARG 55 Ca 0.00 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.80 2k5j n ARG 55 Cb 0.00 0.00 0.10 0.00 -1.02 0.00 0.00 32.46 31.54 2k5j n ARG 55 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2k5j s THR 56 N 0.00 2.06 0.38 0.55 -1.32 -1.26 -5.00 115.64 111.05 2k5j s THR 56 Ca 0.00 -0.07 -0.28 0.00 -1.21 0.00 0.00 61.69 60.13 2k5j s THR 56 Cb 0.00 -2.99 -0.10 0.00 -1.51 0.00 0.00 72.50 67.90 2k5j s THR 56 CO 0.00 0.00 1.42 -0.44 -2.21 0.00 0.00 174.62 173.39 2k5j s SER 57 N -4.62 6.37 -0.12 8.08 0.01 -1.26 -5.02 113.70 117.14 2k5j s SER 57 Ca 0.64 2.91 -0.17 0.00 1.31 0.00 0.00 55.95 60.63 2k5j s SER 57 Cb -0.10 -2.66 0.04 0.00 0.21 0.00 0.00 66.02 63.52 2k5j s SER 57 CO 0.49 -0.84 0.44 -0.69 0.41 0.00 0.00 173.24 173.05 2k5j s VAL 58 N -1.15 0.01 0.12 3.43 1.01 -1.26 -5.14 120.40 117.43 2k5j s VAL 58 Ca 0.54 -0.12 -0.35 0.00 0.00 0.00 0.00 61.98 62.05 2k5j s VAL 58 Cb -0.44 -0.67 -0.17 0.00 0.00 0.00 0.00 36.38 35.10 2k5j s VAL 58 CO 0.58 -0.07 1.12 -2.65 0.00 0.00 0.00 175.10 174.09 2k5j n PRO 59 N 2.23 0.83 -0.02 2.72 -0.02 -1.26 -4.92 135.00 134.55 2k5j n PRO 59 Ca -0.16 0.30 -0.04 0.00 -2.02 0.00 0.00 63.50 61.58 2k5j n PRO 59 Cb 0.57 -1.78 -0.01 0.00 -0.02 0.00 0.00 33.50 32.26 2k5j n PRO 59 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2k5j n GLY 60 N 2.01 -0.29 3.72 -1.23 0.00 -1.26 -5.04 105.19 103.11 2k5j n GLY 60 Ca 0.17 -0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 2k5j n GLY 60 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2k5j s ILE 61 N -2.26 4.45 -2.09 -0.61 -4.36 -1.26 -4.99 121.20 110.08 2k5j s ILE 61 Ca -0.13 -0.38 0.16 0.00 -0.26 0.00 0.00 60.65 60.04 2k5j s ILE 61 Cb 0.02 -2.96 0.42 0.00 1.25 0.00 0.00 42.46 41.20 2k5j s ILE 61 CO 0.19 0.46 1.54 0.79 0.24 0.00 0.00 174.94 178.16 2k5j n TRP 62 N 1.62 0.10 0.00 1.37 7.02 -1.26 -4.92 117.44 121.38 2k5j n TRP 62 Ca -0.16 -0.05 0.00 0.00 -1.02 0.00 0.00 57.50 56.27 2k5j n TRP 62 Cb 0.53 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.42 2k5j n TRP 62 CO 0.00 0.00 0.00 0.94 -2.02 0.00 0.00 177.69 176.61 2k5j n GLN 63 N -0.30 0.00 -1.33 -0.99 7.27 -1.26 -4.66 117.38 116.12 2k5j n GLN 63 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.20 2k5j n GLN 63 Cb 0.16 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.81 2k5j n GLN 63 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2k5j n GLY 64 N 0.00 -2.55 3.73 1.69 0.00 -1.26 -5.01 105.19 101.79 2k5j n GLY 64 Ca 0.00 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 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 0.18 1.08 0.39 0.00 -1.05 -1.26 -5.12 118.70 112.91 2k5j s GLU 66 Ca 0.43 -1.32 -0.26 0.00 -0.15 0.00 0.00 54.97 53.67 2k5j s GLU 66 Cb -0.21 -0.90 -0.11 0.00 -0.44 0.00 0.00 34.13 32.47 2k5j s GLU 66 CO 0.26 0.16 1.23 0.39 0.95 0.00 0.00 175.26 178.25 2k5j n GLU 67 N 0.30 1.89 -3.63 -4.83 1.02 -1.26 -5.00 120.64 109.12 2k5j n GLU 67 Ca -0.14 0.67 -0.18 0.00 -0.02 0.00 0.00 57.16 57.49 2k5j n GLU 67 Cb 0.58 -2.29 -0.15 0.00 -0.02 0.00 0.00 31.44 29.55 2k5j n GLU 67 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2k5j s ASP 68 N -0.49 1.04 0.00 1.62 -1.08 -1.26 -5.10 116.67 111.40 2k5j s ASP 68 Ca 0.59 0.13 0.00 0.00 -0.52 0.00 0.00 52.55 52.75 2k5j s ASP 68 Cb -0.54 0.23 0.00 0.00 -1.46 0.00 0.00 42.92 41.14 2k5j s ASP 68 CO 0.59 -0.27 0.00 0.61 0.52 0.00 0.00 175.17 176.62 2k5j n GLY 69 N 5.32 -1.17 3.16 2.66 0.00 -1.26 -4.83 105.19 109.06 2k5j n GLY 69 Ca -0.05 -1.30 -0.31 0.00 0.00 0.00 0.00 46.02 44.36 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 0.00 1.90 0.03 1.61 1.01 -1.26 -5.01 120.40 118.68 2k5j s VAL 70 Ca 0.00 -0.91 -0.16 0.00 0.00 0.00 0.00 61.98 60.91 2k5j s VAL 70 Cb 0.00 -1.67 -0.36 0.00 0.00 0.00 0.00 36.38 34.35 2k5j s VAL 70 CO 0.00 0.52 1.00 -0.33 0.00 0.00 0.00 175.10 176.29 2k5j h GLU 71 N 7.05 0.54 -5.53 2.72 4.39 -2.05 -3.46 114.58 118.25 2k5j h GLU 71 Ca -0.27 -0.93 -0.47 0.00 0.34 0.00 0.00 59.36 58.03 2k5j h GLU 71 Cb 1.21 0.35 -0.24 0.00 -0.10 0.00 0.00 28.75 29.96 2k5j h GLU 71 CO 0.50 1.44 -0.80 -0.47 -1.16 0.00 0.00 179.01 178.52 2k5j s TYR 72 N -2.60 1.38 0.14 4.33 5.04 -1.26 -5.15 117.35 119.23 2k5j s TYR 72 Ca -0.09 -0.37 -0.08 0.00 -2.44 0.00 0.00 57.07 54.08 2k5j s TYR 72 Cb 0.04 -0.81 -0.01 0.00 0.35 0.00 0.00 41.96 41.53 2k5j s TYR 72 CO 0.95 0.06 0.23 1.14 -1.34 0.00 0.00 175.55 176.59 2k5j s GLN 73 N -1.27 1.03 0.07 4.97 0.00 -1.26 -5.17 119.66 118.02 2k5j s GLN 73 Ca 0.03 -1.12 0.06 0.00 -0.00 0.00 0.00 55.36 54.32 2k5j s GLN 73 Cb -0.08 0.35 -0.03 0.00 0.00 0.00 0.00 33.01 33.25 2k5j s GLN 73 CO 0.02 -0.36 -0.16 -0.98 0.00 0.00 0.00 175.29 173.81 2k5j s ARG 74 N -3.94 0.93 0.07 9.60 1.70 -1.26 -5.14 118.95 120.91 2k5j s ARG 74 Ca 0.14 -0.98 -0.17 0.00 -0.47 0.00 0.00 55.73 54.24 2k5j s ARG 74 Cb 0.04 -1.01 -0.06 0.00 -0.57 0.00 0.00 34.95 33.35 2k5j s ARG 74 CO -0.04 0.23 0.52 0.15 -1.08 0.00 0.00 175.30 175.09 2k5j s LYS 75 N -1.69 4.08 0.41 3.89 -0.14 -1.26 -4.97 119.74 120.08 2k5j s LYS 75 Ca 0.01 0.61 0.25 0.00 -1.36 0.00 0.00 55.97 55.47 2k5j s LYS 75 Cb -0.10 -3.18 0.57 0.00 -1.68 0.00 0.00 37.83 33.44 2k5j s LYS 75 CO 0.03 0.63 1.69 1.37 -0.76 0.00 0.00 175.35 178.30 2k5j h LEU 76 N 4.41 0.00 -7.69 3.17 8.10 -2.09 -3.43 115.31 117.78 2k5j h LEU 76 Ca -0.50 0.00 -0.43 0.00 0.11 0.00 0.00 57.88 57.06 2k5j h LEU 76 Cb 1.21 0.00 -0.35 0.00 -0.44 0.00 0.00 40.66 41.08 2k5j h LEU 76 CO 0.63 0.00 -0.78 -0.60 -4.11 0.00 0.00 178.44 173.59 2k5j s ARG 77 N -3.26 0.88 -0.28 0.17 3.52 -1.26 -5.11 118.95 113.61 2k5j s ARG 77 Ca 0.07 -0.08 -0.02 0.00 -0.13 0.00 0.00 55.73 55.57 2k5j s ARG 77 Cb 0.07 -0.96 0.17 0.00 -1.56 0.00 0.00 34.95 32.67 2k5j s ARG 77 CO 0.63 -0.14 0.54 -2.00 -0.81 0.00 0.00 175.30 173.52 2k5j s GLU 78 N 1.21 0.51 -0.84 5.12 2.12 -1.26 -5.06 118.70 120.49 2k5j s GLU 78 Ca -0.06 0.88 0.01 0.00 0.36 0.00 0.00 54.97 56.16 2k5j s GLU 78 Cb -0.14 0.27 0.33 0.00 0.26 0.00 0.00 34.13 34.85 2k5j s GLU 78 CO -0.02 -0.62 1.45 -0.85 -0.54 0.00 0.00 175.26 174.68 2k5j n GLU 79 N 5.41 4.51 0.00 4.30 0.00 -1.26 -5.21 120.64 128.40 2k5j n GLU 79 Ca -0.02 -4.75 0.00 0.00 0.00 0.00 0.00 57.16 52.39 2k5j n GLU 79 Cb 0.51 -2.37 0.00 0.00 0.00 0.00 0.00 31.44 29.57 2k5j n GLU 79 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.13 179.00