#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r0r n PHE 4 N 0.00 0.62 0.21 1.61 3.72 -1.26 -4.68 117.46 117.69 2r0r n PHE 4 Ca 0.00 -0.31 -0.15 0.00 -0.05 0.00 0.00 57.45 56.94 2r0r n PHE 4 Cb 0.00 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.47 2r0r n PHE 4 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2r0r h GLU 6 N -0.64 0.99 -0.30 0.00 4.81 -1.89 -2.18 114.58 115.38 2r0r h GLU 6 Ca -0.02 -0.32 -0.13 0.00 -0.13 0.00 0.00 59.36 58.75 2r0r h GLU 6 Cb 0.57 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 2r0r h GLU 6 CO -0.03 1.00 -0.36 -0.24 -0.73 0.00 0.00 179.01 178.65 2r0r h VAL 7 N 0.90 1.29 -0.18 0.32 3.04 -1.87 -2.16 116.25 117.59 2r0r h VAL 7 Ca 0.16 -1.51 0.03 0.00 -1.01 0.00 0.00 66.70 64.37 2r0r h VAL 7 Cb 0.58 1.44 -0.03 0.00 -2.01 0.00 0.00 31.29 31.27 2r0r h VAL 7 CO 0.03 0.49 -0.02 0.00 -1.01 0.00 0.00 177.57 177.06 2r0r h GLU 9 N 0.04 1.06 -0.59 0.00 5.08 -1.34 -0.13 114.58 118.69 2r0r h GLU 9 Ca 0.09 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 2r0r h GLU 9 Cb 0.12 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 2r0r h GLU 9 CO -0.16 0.90 0.22 0.87 -1.00 0.00 0.00 179.01 179.83 2r0r h LYS 10 N 1.00 0.90 -0.08 2.33 1.57 -1.13 0.14 116.57 121.30 2r0r h LYS 10 Ca 0.23 -0.18 -0.12 0.00 -1.87 0.00 0.00 60.65 58.71 2r0r h LYS 10 Cb 0.26 -0.14 0.01 0.00 0.08 0.00 0.00 32.23 32.43 2r0r h LYS 10 CO -0.01 0.79 -0.42 1.25 -0.57 0.00 0.00 179.45 180.48 2r0r h LEU 11 N 0.83 0.50 -1.13 2.94 5.85 -0.59 -2.07 115.31 121.65 2r0r h LEU 11 Ca 0.20 -0.66 -0.07 0.00 0.84 0.00 0.00 57.88 58.19 2r0r h LEU 11 Cb 0.23 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 2r0r h LEU 11 CO -0.01 1.08 -0.15 0.58 -0.34 0.00 0.00 178.44 179.60 2r0r h VAL 12 N -0.04 1.23 -0.94 1.05 2.07 -1.07 -1.29 116.25 117.26 2r0r h VAL 12 Ca -0.03 -1.02 0.02 0.00 0.82 0.00 0.00 66.70 66.49 2r0r h VAL 12 Cb 1.08 1.20 -0.05 0.00 -1.52 0.00 0.00 31.29 32.00 2r0r h VAL 12 CO 0.09 0.33 0.61 1.23 0.02 0.00 0.00 177.57 179.85 2r0r h GLY 13 N 0.92 1.34 0.89 2.17 0.00 -0.70 0.44 103.07 108.14 2r0r h GLY 13 Ca 0.07 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 46.89 2r0r h GLY 13 CO 0.03 0.44 0.06 -1.82 0.00 0.00 0.00 176.54 175.25 2r0r h TYR 14 N 1.22 0.53 -0.54 5.60 5.03 -0.87 -2.69 116.97 125.25 2r0r h TYR 14 Ca 0.36 -0.07 -0.04 0.00 2.58 0.00 0.00 58.73 61.56 2r0r h TYR 14 Cb -0.07 -0.15 -0.02 0.00 1.55 0.00 0.00 36.73 38.04 2r0r h TYR 14 CO -0.01 0.57 0.19 -0.07 -1.32 0.00 0.00 178.16 177.52 2r0r h LEU 15 N 0.33 0.78 -0.52 2.82 3.38 -0.88 -1.07 115.31 120.15 2r0r h LEU 15 Ca 0.09 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 2r0r h LEU 15 Cb 0.32 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2r0r h LEU 15 CO 0.00 0.76 0.32 -0.78 0.09 0.00 0.00 178.44 178.83 2r0r h ASP 16 N 0.75 0.62 0.76 -0.43 3.58 -0.94 0.96 116.42 121.71 2r0r h ASP 16 Ca 0.18 -0.05 -0.15 0.00 0.42 0.00 0.00 57.03 57.43 2r0r h ASP 16 Cb 0.25 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.12 2r0r h ASP 16 CO -0.01 0.49 -0.70 -0.09 -2.88 0.00 0.00 179.24 176.05 2r0r h ARG 17 N 0.69 0.00 -0.01 0.28 1.12 -1.25 -3.35 114.38 111.86 2r0r h ARG 17 Ca 0.19 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.06 2r0r h ARG 17 Cb -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.94 2r0r h ARG 17 CO -0.04 0.70 -0.07 0.09 -3.11 0.00 0.00 179.97 177.55 2r0r n ASN 18 N -3.65 1.72 -4.82 -3.80 3.02 -0.43 -4.97 115.26 102.33 2r0r n ASN 18 Ca -0.01 -1.36 -0.22 0.00 -0.03 0.00 0.00 54.58 52.96 2r0r n ASN 18 Cb 0.70 0.15 -0.04 0.00 -0.61 0.00 0.00 39.78 39.97 2r0r n ASN 18 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2r0r s LEU 19 N -1.16 3.35 0.35 3.41 1.43 0.32 -5.03 118.68 121.35 2r0r s LEU 19 Ca 0.12 -0.77 0.05 0.00 -1.03 0.00 0.00 54.13 52.49 2r0r s LEU 19 Cb 0.09 -1.92 -0.01 0.00 0.03 0.00 0.00 46.19 44.38 2r0r s LEU 19 CO 0.18 -0.53 0.50 -1.61 0.23 0.00 0.00 176.35 175.12 2r0r s GLU 20 N -4.02 3.15 0.42 1.70 2.02 -1.26 -4.86 118.70 115.85 2r0r s GLU 20 Ca 0.44 -0.85 0.10 0.00 0.02 0.00 0.00 54.97 54.68 2r0r s GLU 20 Cb -0.02 -2.77 0.92 0.00 0.10 0.00 0.00 34.13 32.36 2r0r s GLU 20 CO 0.26 0.04 2.01 0.87 0.02 0.00 0.00 175.26 178.45 2r0r h LYS 21 N 0.81 0.26 -1.74 1.61 1.79 -1.99 -3.09 116.57 114.22 2r0r h LYS 21 Ca -0.47 -0.04 -0.53 0.00 -2.18 0.00 0.00 60.65 57.43 2r0r h LYS 21 Cb 1.25 -0.05 -0.41 0.00 -1.58 0.00 0.00 32.23 31.44 2r0r h LYS 21 CO 0.55 0.28 -0.85 0.09 -1.08 0.00 0.00 179.45 178.44 2r0r n ASN 22 N -4.39 3.49 -4.79 0.86 3.02 -1.26 -5.03 115.26 107.16 2r0r n ASN 22 Ca -0.00 -3.43 -0.35 0.00 -0.03 0.00 0.00 54.58 50.77 2r0r n ASN 22 Cb 0.17 -0.53 -0.04 0.00 -0.61 0.00 0.00 39.78 38.78 2r0r n ASN 22 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2r0r s SER 23 N -3.28 6.47 0.57 6.41 0.01 -1.17 -5.04 113.70 117.66 2r0r s SER 23 Ca 0.43 1.97 -0.17 0.00 1.31 0.00 0.00 55.95 59.50 2r0r s SER 23 Cb 0.37 -2.57 -0.05 0.00 0.21 0.00 0.00 66.02 63.98 2r0r s SER 23 CO -0.12 -0.70 1.05 0.42 0.41 0.00 0.00 173.24 174.31 2r0r s THR 24 N -1.87 3.84 0.29 1.44 -4.23 -1.26 -4.82 115.64 109.03 2r0r s THR 24 Ca 0.64 0.93 0.03 0.00 -1.18 0.00 0.00 61.69 62.12 2r0r s THR 24 Cb -0.18 -3.42 0.29 0.00 1.34 0.00 0.00 72.50 70.53 2r0r s THR 24 CO 0.23 -0.45 1.68 0.11 -0.54 0.00 0.00 174.62 175.64 2r0r h LYS 25 N 0.72 0.33 -0.57 3.99 1.57 -1.96 0.19 116.57 120.85 2r0r h LYS 25 Ca -0.47 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.35 2r0r h LYS 25 Cb 1.22 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 33.40 2r0r h LYS 25 CO 0.58 0.22 0.27 1.96 -0.57 0.00 0.00 179.45 181.91 2r0r h GLN 26 N 0.34 0.49 -0.22 3.15 1.08 -1.99 0.16 115.11 118.12 2r0r h GLN 26 Ca 0.55 -0.03 -0.13 0.00 -1.45 0.00 0.00 58.65 57.59 2r0r h GLN 26 Cb 1.07 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 28.38 2r0r h GLN 26 CO -0.56 0.32 -0.43 0.93 -0.95 0.00 0.00 178.83 178.15 2r0r h GLU 27 N 0.50 0.53 -0.55 1.46 5.08 -1.34 -1.29 114.58 118.98 2r0r h GLU 27 Ca 0.26 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2r0r h GLU 27 Cb 0.22 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 2r0r h GLU 27 CO -0.21 0.86 0.30 0.82 -1.00 0.00 0.00 179.01 179.79 2r0r h ILE 28 N 0.43 1.18 0.15 3.13 1.08 -0.30 -1.94 117.51 121.24 2r0r h ILE 28 Ca 0.03 -0.46 -0.01 0.00 -0.39 0.00 0.00 64.86 64.04 2r0r h ILE 28 Cb 0.92 0.49 0.00 0.00 -3.07 0.00 0.00 36.82 35.16 2r0r h ILE 28 CO 0.08 0.20 -0.07 0.25 -0.69 0.00 0.00 178.15 177.92 2r0r h LEU 29 N 0.74 -0.17 -0.73 1.44 5.85 -0.47 0.27 115.31 122.24 2r0r h LEU 29 Ca 0.19 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.90 2r0r h LEU 29 Cb 0.04 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 2r0r h LEU 29 CO -0.03 -0.08 0.48 0.00 -0.34 0.00 0.00 178.44 178.46 2r0r h ALA 30 N 0.62 0.94 -0.26 1.25 0.00 -1.20 -1.09 119.26 119.52 2r0r h ALA 30 Ca -0.02 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 2r0r h ALA 30 Cb 0.18 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2r0r h ALA 30 CO 0.03 0.31 -0.09 0.00 0.00 0.00 0.00 179.25 179.50 2r0r h ALA 31 N 1.28 0.36 -0.95 0.00 0.00 -1.30 -3.05 119.26 115.60 2r0r h ALA 31 Ca 0.28 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.94 2r0r h ALA 31 Cb -0.06 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.58 2r0r h ALA 31 CO -0.08 0.19 0.62 1.25 0.00 0.00 0.00 179.25 181.23 2r0r h LEU 32 N 0.25 1.01 -0.05 0.00 5.85 -0.64 0.11 115.31 121.84 2r0r h LEU 32 Ca 0.06 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2r0r h LEU 32 Cb 0.58 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.38 2r0r h LEU 32 CO 0.03 0.68 -0.01 -0.62 -0.34 0.00 0.00 178.44 178.19 2r0r n GLU 33 N -4.50 0.85 0.00 1.25 1.02 -0.44 -3.47 120.64 115.35 2r0r n GLU 33 Ca 0.13 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 2r0r n GLU 33 Cb 0.12 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 2r0r n GLU 33 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2r0r n LYS 34 N -1.03 5.45 0.11 3.49 3.00 -0.72 -4.81 118.16 123.66 2r0r n LYS 34 Ca 0.21 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.51 2r0r n LYS 34 Cb 0.17 -0.58 0.26 0.00 0.00 0.00 0.00 35.03 34.87 2r0r n LYS 34 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 2r0r h GLY 35 N 0.00 0.23 1.67 3.14 0.00 -0.84 -3.20 103.07 104.07 2r0r h GLY 35 Ca 0.00 -0.20 0.02 0.00 0.00 0.00 0.00 47.33 47.14 2r0r h GLY 35 CO 0.00 0.18 0.19 0.00 0.00 0.00 0.00 176.54 176.91 2r0r h SER 37 N 0.33 0.00 0.21 0.00 4.64 -1.91 -2.84 113.55 113.97 2r0r h SER 37 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 2r0r h SER 37 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 2r0r h SER 37 CO -0.02 0.00 -1.21 0.49 -0.87 0.00 0.00 176.83 175.22 2r0r n PHE 38 N -2.71 0.12 -1.81 4.77 3.72 -0.62 -4.92 117.46 116.00 2r0r n PHE 38 Ca -0.00 0.04 -0.34 0.00 -0.05 0.00 0.00 57.45 57.09 2r0r n PHE 38 Cb 0.19 -0.31 0.05 0.00 -0.94 0.00 0.00 39.48 38.46 2r0r n PHE 38 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2r0r s LEU 39 N -3.74 3.47 0.37 4.37 1.02 -1.07 -4.96 118.68 118.13 2r0r s LEU 39 Ca 0.03 2.14 -0.25 0.00 0.02 0.00 0.00 54.13 56.07 2r0r s LEU 39 Cb 0.15 -4.57 -0.13 0.00 0.02 0.00 0.00 46.19 41.66 2r0r s LEU 39 CO 0.84 -1.67 0.80 -2.65 0.02 0.00 0.00 176.35 173.69 2r0r n PRO 40 N -2.19 0.95 -0.29 1.29 -0.02 -1.26 -4.79 135.00 128.69 2r0r n PRO 40 Ca 0.11 0.34 0.12 0.00 -2.02 0.00 0.00 63.50 62.06 2r0r n PRO 40 Cb 0.51 -1.72 0.27 0.00 -0.02 0.00 0.00 33.50 32.55 2r0r n PRO 40 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2r0r h ASP 41 N 1.32 -0.04 0.12 2.55 5.19 -1.94 -0.42 116.42 123.20 2r0r h ASP 41 Ca -0.40 0.20 0.00 0.00 -0.62 0.00 0.00 57.03 56.20 2r0r h ASP 41 Cb 1.37 0.28 0.00 0.00 0.18 0.00 0.00 39.33 41.16 2r0r h ASP 41 CO 0.56 -0.16 0.00 -2.65 -3.12 0.00 0.00 179.24 173.87 2r0r n PRO 42 N -5.24 0.00 0.01 3.56 -0.02 -1.26 -1.52 135.00 130.52 2r0r n PRO 42 Ca 0.20 0.43 0.11 0.00 -2.02 0.00 0.00 63.50 62.22 2r0r n PRO 42 Cb 0.66 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.55 2r0r n PRO 42 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2r0r n TYR 43 N -1.49 0.09 -0.27 6.00 4.02 -0.17 -4.71 117.16 120.63 2r0r n TYR 43 Ca 0.01 0.03 -0.05 0.00 -0.01 0.00 0.00 57.90 57.88 2r0r n TYR 43 Cb 0.04 -0.29 0.06 0.00 -0.02 0.00 0.00 39.34 39.13 2r0r n TYR 43 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 176.86 175.29 2r0r h GLN 44 N 0.00 0.97 -0.08 -0.72 -0.00 -1.35 0.92 115.11 114.86 2r0r h GLN 44 Ca 0.00 -0.06 -0.10 0.00 -0.00 0.00 0.00 58.65 58.48 2r0r h GLN 44 Cb 0.72 -0.22 0.00 0.00 -0.00 0.00 0.00 27.48 27.99 2r0r h GLN 44 CO 0.00 0.65 -0.36 0.87 -0.00 0.00 0.00 178.83 179.99 2r0r h LYS 45 N 1.00 0.38 -1.00 0.06 6.56 -1.84 -2.61 116.57 119.12 2r0r h LYS 45 Ca 0.27 -0.31 0.12 0.00 -1.06 0.00 0.00 60.65 59.67 2r0r h LYS 45 Cb -0.11 0.06 -0.09 0.00 -0.57 0.00 0.00 32.23 31.53 2r0r h LYS 45 CO -0.06 0.94 0.63 0.37 -2.06 0.00 0.00 179.45 179.28 2r0r h GLN 46 N -0.09 0.96 0.11 3.15 4.15 -1.79 -2.32 115.11 119.28 2r0r h GLN 46 Ca -0.02 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.33 2r0r h GLN 46 Cb 1.01 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.48 2r0r h GLN 46 CO 0.08 0.63 -0.05 0.00 -1.93 0.00 0.00 178.83 177.55 2r0r h ASP 48 N -0.32 0.84 -0.22 0.00 3.32 -1.21 -0.55 116.42 118.29 2r0r h ASP 48 Ca -0.02 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 2r0r h ASP 48 Cb 0.26 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 2r0r h ASP 48 CO 0.03 0.47 0.07 -0.61 -1.72 0.00 0.00 179.24 177.48 2r0r h GLN 49 N 0.94 0.33 -0.06 3.56 4.15 -1.17 -1.09 115.11 121.76 2r0r h GLN 49 Ca 0.45 -0.07 0.04 0.00 0.77 0.00 0.00 58.65 59.84 2r0r h GLN 49 Cb 0.39 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.99 2r0r h GLN 49 CO -0.24 0.41 -0.18 0.35 -1.93 0.00 0.00 178.83 177.23 2r0r h PHE 50 N 0.18 -0.48 -0.56 3.99 3.57 -0.47 -0.47 116.94 122.71 2r0r h PHE 50 Ca 0.07 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.62 2r0r h PHE 50 Cb 0.21 0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.14 2r0r h PHE 50 CO -0.00 -0.26 0.37 0.28 -2.23 0.00 0.00 178.31 176.47 2r0r h VAL 51 N -0.26 1.06 -0.03 1.41 2.07 -1.06 0.34 116.25 119.79 2r0r h VAL 51 Ca 0.08 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 2r0r h VAL 51 Cb 0.37 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2r0r h VAL 51 CO -0.22 0.12 -0.04 0.00 0.02 0.00 0.00 177.57 177.45 2r0r h ALA 52 N 1.68 0.05 0.00 1.67 0.00 -0.75 0.17 119.26 122.07 2r0r h ALA 52 Ca 0.22 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2r0r h ALA 52 Cb 0.10 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2r0r h ALA 52 CO -0.06 -0.15 -0.19 0.93 0.00 0.00 0.00 179.25 179.78 2r0r h GLU 53 N -0.42 0.00 0.00 0.00 3.07 -0.76 -3.34 114.58 113.13 2r0r h GLU 53 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2r0r h GLU 53 Cb 0.58 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.49 2r0r h GLU 53 CO 0.01 0.19 0.00 0.66 -1.40 0.00 0.00 179.01 178.47 2r0r n TYR 54 N -3.85 0.00 -0.25 4.33 4.02 0.08 -4.83 117.16 116.66 2r0r n TYR 54 Ca -0.02 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.84 2r0r n TYR 54 Cb 0.29 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.63 2r0r n TYR 54 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 2r0r h GLU 55 N 0.00 -0.11 -0.39 -0.72 5.08 -0.80 0.02 114.58 117.66 2r0r h GLU 55 Ca 0.00 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.44 2r0r h GLU 55 Cb 0.00 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.21 2r0r h GLU 55 CO 0.00 -0.07 -0.01 -1.35 -1.00 0.00 0.00 179.01 176.58 2r0r h PRO 56 N -0.11 0.09 -0.01 2.33 0.11 -1.88 -1.24 132.00 131.29 2r0r h PRO 56 Ca 0.27 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 66.22 2r0r h PRO 56 Cb 0.56 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.63 2r0r h PRO 56 CO -0.75 0.06 -0.70 -0.24 -0.21 0.00 0.00 178.00 176.16 2r0r h VAL 57 N 0.09 1.47 -0.01 3.15 3.04 -1.82 -2.86 116.25 119.31 2r0r h VAL 57 Ca 0.19 -2.31 -0.00 0.00 -1.01 0.00 0.00 66.70 63.58 2r0r h VAL 57 Cb 0.28 2.24 -0.00 0.00 -2.01 0.00 0.00 31.29 31.79 2r0r h VAL 57 CO -0.33 0.67 0.00 -0.07 -1.01 0.00 0.00 177.57 176.82 2r0r h LEU 58 N 0.06 0.01 -0.55 3.16 3.38 -0.47 -2.35 115.31 118.55 2r0r h LEU 58 Ca -0.01 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 2r0r h LEU 58 Cb 1.23 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.95 2r0r h LEU 58 CO 0.10 0.22 0.30 0.40 0.09 0.00 0.00 178.44 179.54 2r0r h ILE 59 N -0.19 1.18 -0.40 1.22 2.04 -1.30 0.26 117.51 120.33 2r0r h ILE 59 Ca 0.00 -0.47 0.03 0.00 1.00 0.00 0.00 64.86 65.42 2r0r h ILE 59 Cb 0.21 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 2r0r h ILE 59 CO -0.00 0.20 0.26 -0.33 0.00 0.00 0.00 178.15 178.28 2r0r h GLU 60 N 0.74 0.42 0.11 2.37 4.39 -1.41 -3.02 114.58 118.19 2r0r h GLU 60 Ca 0.19 -0.03 -0.36 0.00 0.34 0.00 0.00 59.36 59.51 2r0r h GLU 60 Cb 0.05 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 2r0r h GLU 60 CO -0.03 0.28 -1.96 1.51 -1.16 0.00 0.00 179.01 177.65 2r0r n ILE 61 N -4.48 1.77 0.30 3.13 3.06 -0.90 -4.29 119.36 117.95 2r0r n ILE 61 Ca 0.04 -0.67 0.17 0.00 -2.50 0.00 0.00 62.75 59.78 2r0r n ILE 61 Cb 0.14 -1.67 0.95 0.00 0.54 0.00 0.00 39.64 39.60 2r0r n ILE 61 CO 0.00 0.00 0.00 -0.07 -2.50 0.00 0.00 176.55 173.98 2r0r h LEU 62 N 0.07 0.00 -1.55 9.51 3.38 -0.84 -0.08 115.31 125.80 2r0r h LEU 62 Ca -0.41 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.52 2r0r h LEU 62 Cb 2.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.78 2r0r h LEU 62 CO 0.09 0.03 -0.20 -0.37 0.09 0.00 0.00 178.44 178.08 2r0r h VAL 63 N 0.00 1.16 0.04 1.22 -1.51 -1.72 -3.25 116.25 112.19 2r0r h VAL 63 Ca -0.00 -0.74 -0.18 0.00 -1.23 0.00 0.00 66.70 64.56 2r0r h VAL 63 Cb 0.11 1.37 -0.01 0.00 -2.13 0.00 0.00 31.29 30.63 2r0r h VAL 63 CO 0.00 0.21 -0.93 -0.33 -1.23 0.00 0.00 177.57 175.30 2r0r h GLU 64 N 0.03 0.08 -2.75 5.19 5.08 -1.26 -3.48 114.58 117.46 2r0r h GLU 64 Ca 0.00 -0.14 -0.12 0.00 -1.00 0.00 0.00 59.36 58.10 2r0r h GLU 64 Cb 0.38 0.05 -0.24 0.00 0.50 0.00 0.00 28.75 29.44 2r0r h GLU 64 CO 0.03 1.07 -0.23 0.54 -1.00 0.00 0.00 179.01 179.41 2r0r s VAL 65 N -2.36 0.00 -0.08 3.13 0.11 -0.78 -5.06 120.40 115.36 2r0r s VAL 65 Ca -0.23 -0.02 0.12 0.00 -2.93 0.00 0.00 61.98 58.92 2r0r s VAL 65 Cb 0.03 -0.58 0.18 0.00 -1.53 0.00 0.00 36.38 34.48 2r0r s VAL 65 CO 0.68 -0.01 1.07 0.23 -3.33 0.00 0.00 175.10 173.74 2r0r n MET 66 N 2.77 1.49 -2.12 1.54 2.81 -1.26 -3.91 117.12 118.44 2r0r n MET 66 Ca -0.14 -2.07 -0.43 0.00 -1.81 0.00 0.00 57.70 53.26 2r0r n MET 66 Cb 0.57 -1.23 -0.03 0.00 -0.71 0.00 0.00 33.22 31.82 2r0r n MET 66 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2r0r s ASP 67 N -2.12 6.47 0.24 7.83 2.15 -1.26 -4.49 116.67 125.49 2r0r s ASP 67 Ca 0.20 1.72 -0.07 0.00 0.43 0.00 0.00 52.55 54.83 2r0r s ASP 67 Cb 0.17 -2.53 0.41 0.00 -0.30 0.00 0.00 42.92 40.67 2r0r s ASP 67 CO 0.02 -1.16 1.67 -0.65 -0.17 0.00 0.00 175.17 174.87 2r0r h PRO 68 N 10.32 0.18 0.05 4.34 0.11 -1.89 0.01 132.00 145.12 2r0r h PRO 68 Ca -0.34 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.76 2r0r h PRO 68 Cb 1.15 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2r0r h PRO 68 CO 0.99 0.12 -0.02 0.77 -0.21 0.00 0.00 178.00 179.65 2r0r h SER 69 N 0.19 -0.06 0.37 -2.05 0.02 -1.92 -2.42 113.55 107.68 2r0r h SER 69 Ca 0.39 -0.33 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 2r0r h SER 69 Cb 0.67 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.22 2r0r h SER 69 CO -0.55 0.31 -0.18 0.15 -1.14 0.00 0.00 176.83 175.42 2r0r h PHE 70 N -0.43 -0.46 -0.16 3.45 3.57 -1.94 -2.47 116.94 118.50 2r0r h PHE 70 Ca -0.01 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.53 2r0r h PHE 70 Cb 0.39 0.15 -0.06 0.00 2.79 0.00 0.00 35.95 39.22 2r0r h PHE 70 CO 0.05 -0.25 -0.28 0.28 -2.23 0.00 0.00 178.31 175.88 2r0r h VAL 71 N -0.55 0.35 -0.00 1.41 2.07 -1.03 0.22 116.25 118.72 2r0r h VAL 71 Ca -0.05 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 2r0r h VAL 71 Cb 0.41 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 2r0r h VAL 71 CO 0.08 0.00 -0.11 0.00 0.02 0.00 0.00 177.57 177.57 2r0r h LEU 73 N 0.00 -0.20 -0.81 0.00 5.85 -0.77 0.04 115.31 119.43 2r0r h LEU 73 Ca -0.00 -0.30 0.07 0.00 0.84 0.00 0.00 57.88 58.49 2r0r h LEU 73 Cb 0.19 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.21 2r0r h LEU 73 CO 0.01 0.24 0.48 0.50 -0.34 0.00 0.00 178.44 179.34 2r0r h LYS 74 N -0.68 0.84 -0.00 1.25 1.63 -0.59 -0.71 116.57 118.31 2r0r h LYS 74 Ca -0.02 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 2r0r h LYS 74 Cb 0.49 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 2r0r h LYS 74 CO 0.04 0.55 -0.01 0.44 -3.45 0.00 0.00 179.45 177.02 2r0r n ILE 75 N -4.69 0.00 -1.00 2.00 -5.35 -0.87 -4.90 119.36 104.56 2r0r n ILE 75 Ca 0.12 -0.04 0.00 0.00 -0.27 0.00 0.00 62.75 62.56 2r0r n ILE 75 Cb 0.21 -0.31 0.00 0.00 -1.74 0.00 0.00 39.64 37.79 2r0r n ILE 75 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2r0r n GLY 76 N 1.07 0.71 0.29 3.28 0.00 -0.27 -4.93 105.19 105.35 2r0r n GLY 76 Ca 0.22 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.15 2r0r n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r0r h ALA 77 N 0.00 0.82 -2.84 4.61 0.00 -1.29 -3.38 119.26 117.18 2r0r h ALA 77 Ca 0.00 -0.35 -0.67 0.00 0.00 0.00 0.00 54.91 53.89 2r0r h ALA 77 Cb 0.01 -0.19 -0.21 0.00 0.00 0.00 0.00 17.79 17.40 2r0r h ALA 77 CO 0.00 0.66 -0.54 0.00 0.00 0.00 0.00 179.25 179.37