#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r0r s ASP 7 N 0.00 4.99 -0.21 4.52 -1.08 -1.26 -4.81 116.67 118.82 1r0r s ASP 7 Ca 0.00 0.48 0.15 0.00 -0.52 0.00 0.00 52.55 52.67 1r0r s ASP 7 Cb 0.00 -2.52 0.56 0.00 -1.46 0.00 0.00 42.92 39.50 1r0r s ASP 7 CO 0.00 -2.58 1.48 0.00 0.52 0.00 0.00 175.17 174.59 1r0r h SER 9 N 1.93 0.00 -0.41 0.00 4.64 -1.98 -2.40 113.55 115.34 1r0r h SER 9 Ca 0.04 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.22 1r0r h SER 9 Cb 1.57 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.58 1r0r h SER 9 CO 0.30 0.13 0.18 -0.62 -0.87 0.00 0.00 176.83 175.95 1r0r n GLU 10 N -3.93 2.22 -4.48 4.77 4.71 -1.26 -4.87 120.64 117.80 1r0r n GLU 10 Ca -0.02 -1.54 -0.24 0.00 -0.01 0.00 0.00 57.16 55.35 1r0r n GLU 10 Cb 0.22 -1.72 -0.10 0.00 -1.01 0.00 0.00 31.44 28.82 1r0r n GLU 10 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 1r0r s TYR 11 N -1.75 2.23 0.56 -0.32 1.51 -0.91 -4.66 117.35 114.01 1r0r s TYR 11 Ca 0.28 -0.48 -0.08 0.00 -1.01 0.00 0.00 57.07 55.78 1r0r s TYR 11 Cb 0.23 -1.16 -0.03 0.00 -0.11 0.00 0.00 41.96 40.89 1r0r s TYR 11 CO 0.07 0.56 0.91 -1.25 -1.11 0.00 0.00 175.55 174.72 1r0r s PRO 12 N -3.60 3.45 -0.12 -1.71 0.04 -1.26 -5.03 135.00 126.77 1r0r s PRO 12 Ca 0.30 0.40 -0.05 0.00 0.04 0.00 0.00 61.00 61.69 1r0r s PRO 12 Cb -0.00 -2.23 0.06 0.00 0.04 0.00 0.00 34.50 32.36 1r0r s PRO 12 CO 0.14 -0.44 0.26 0.15 0.04 0.00 0.00 177.00 177.15 1r0r s LYS 13 N -4.97 0.19 0.27 4.56 -0.14 -1.26 -5.08 119.74 113.31 1r0r s LYS 13 Ca 0.52 0.66 0.06 0.00 -1.36 0.00 0.00 55.97 55.85 1r0r s LYS 13 Cb -0.11 -0.07 0.38 0.00 -1.68 0.00 0.00 37.83 36.36 1r0r s LYS 13 CO 0.49 -0.22 1.64 -1.00 -0.76 0.00 0.00 175.35 175.50 1r0r h PRO 14 N 7.74 0.20 -5.68 -1.68 0.13 -2.00 -3.44 132.00 127.27 1r0r h PRO 14 Ca -0.27 -0.11 -0.67 0.00 -0.87 0.00 0.00 66.00 64.07 1r0r h PRO 14 Cb 1.14 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.20 1r0r h PRO 14 CO 0.25 0.66 -0.49 0.00 -0.23 0.00 0.00 178.00 178.19 1r0r s ALA 15 N -3.94 3.83 0.11 -0.56 0.00 -1.26 -5.09 121.76 114.85 1r0r s ALA 15 Ca -0.04 -0.66 0.04 0.00 0.00 0.00 0.00 51.96 51.30 1r0r s ALA 15 Cb 0.13 -1.92 -0.04 0.00 0.00 0.00 0.00 23.12 21.29 1r0r s ALA 15 CO 0.78 0.62 -0.11 0.00 0.00 0.00 0.00 175.76 177.06 1r0r s THR 17 N -2.61 2.23 -0.49 0.00 -4.23 -1.26 -4.93 115.64 104.35 1r0r s THR 17 Ca 0.08 0.08 0.03 0.00 -1.18 0.00 0.00 61.69 60.69 1r0r s THR 17 Cb -0.02 -2.17 0.51 0.00 1.34 0.00 0.00 72.50 72.16 1r0r s THR 17 CO 0.00 -0.10 1.77 0.18 -0.54 0.00 0.00 174.62 175.93 1r0r n LEU 18 N -4.18 6.41 -4.73 4.79 4.77 -1.26 -4.93 117.00 117.87 1r0r n LEU 18 Ca 0.11 -4.15 -0.41 0.00 -0.03 0.00 0.00 56.01 51.53 1r0r n LEU 18 Cb 0.52 -0.78 -0.04 0.00 -2.33 0.00 0.00 43.42 40.80 1r0r n LEU 18 CO 0.50 1.46 0.76 -0.70 -1.33 0.00 0.00 177.39 178.09 1r0r s GLU 19 N -3.58 4.59 -0.49 3.23 2.12 -1.26 -5.01 118.70 118.29 1r0r s GLU 19 Ca 0.57 1.61 -0.18 0.00 0.36 0.00 0.00 54.97 57.34 1r0r s GLU 19 Cb 0.47 -3.34 0.06 0.00 0.26 0.00 0.00 34.13 31.57 1r0r s GLU 19 CO 0.02 0.03 0.56 -0.47 -0.54 0.00 0.00 175.26 174.87 1r0r s TYR 20 N 0.24 3.10 -0.41 5.30 6.14 -1.26 -4.49 117.35 125.98 1r0r s TYR 20 Ca 0.51 -0.59 0.06 0.00 0.64 0.00 0.00 57.07 57.69 1r0r s TYR 20 Cb -0.27 -3.41 0.22 0.00 0.42 0.00 0.00 41.96 38.92 1r0r s TYR 20 CO 0.31 -0.95 0.47 -2.13 0.64 0.00 0.00 175.55 173.89 1r0r n ARG 21 N 5.93 0.49 -2.10 4.97 0.63 0.54 -5.03 116.66 122.10 1r0r n ARG 21 Ca -0.08 -3.09 -0.36 0.00 -0.92 0.00 0.00 57.85 53.41 1r0r n ARG 21 Cb 0.45 -1.42 0.02 0.00 0.45 0.00 0.00 32.46 31.96 1r0r n ARG 21 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1r0r s PRO 22 N -0.52 3.19 0.05 -0.14 0.04 -1.14 -4.00 135.00 132.47 1r0r s PRO 22 Ca 0.34 1.79 0.08 0.00 0.04 0.00 0.00 61.00 63.25 1r0r s PRO 22 Cb 0.11 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.60 1r0r s PRO 22 CO -0.15 -1.02 -0.22 -0.51 0.04 0.00 0.00 177.00 175.14 1r0r s LEU 23 N -3.82 2.17 -0.28 -3.56 1.43 -0.21 -0.20 118.68 114.21 1r0r s LEU 23 Ca 0.74 -0.55 -0.08 0.00 -1.03 0.00 0.00 54.13 53.22 1r0r s LEU 23 Cb -0.29 -1.05 -0.01 0.00 0.03 0.00 0.00 46.19 44.87 1r0r s LEU 23 CO 0.32 0.18 0.10 0.00 0.23 0.00 0.00 176.35 177.18 1r0r s GLY 25 N 1.59 1.61 0.32 0.00 0.00 -0.17 -0.77 107.32 109.89 1r0r s GLY 25 Ca 0.05 -0.40 0.24 0.00 0.00 0.00 0.00 44.72 44.60 1r0r s GLY 25 CO 0.04 0.06 1.72 1.48 0.00 0.00 0.00 173.10 176.39 1r0r h SER 26 N -1.07 0.00 -0.14 1.64 4.64 -1.06 -0.07 113.55 117.49 1r0r h SER 26 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1r0r h SER 26 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1r0r h SER 26 CO 0.62 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.68 1r0r n ASP 27 N -2.31 1.30 -1.86 4.97 5.75 -1.26 -4.93 116.55 118.20 1r0r n ASP 27 Ca -0.00 -1.68 -0.19 0.00 -0.01 0.00 0.00 54.79 52.91 1r0r n ASP 27 Cb 0.11 -0.09 -0.04 0.00 -1.03 0.00 0.00 41.12 40.07 1r0r n ASP 27 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1r0r n ASN 28 N 0.09 -5.41 -4.80 -1.12 4.05 -0.04 -5.00 115.26 103.02 1r0r n ASN 28 Ca 0.15 0.20 -0.36 0.00 0.45 0.00 0.00 54.58 55.02 1r0r n ASN 28 Cb 0.26 -4.51 -0.07 0.00 1.23 0.00 0.00 39.78 36.69 1r0r n ASN 28 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1r0r s LYS 29 N -4.37 3.24 -0.14 1.20 -0.14 -1.26 -4.89 119.74 113.39 1r0r s LYS 29 Ca 0.00 -0.28 -0.23 0.00 -1.36 0.00 0.00 55.97 54.10 1r0r s LYS 29 Cb 0.00 -3.01 -0.03 0.00 -1.68 0.00 0.00 37.83 33.11 1r0r s LYS 29 CO 0.00 0.73 0.71 0.99 -0.76 0.00 0.00 175.35 177.02 1r0r s THR 30 N -1.02 5.00 -0.12 2.17 2.01 -1.26 -1.00 115.64 121.41 1r0r s THR 30 Ca 0.16 1.41 -0.05 0.00 0.31 0.00 0.00 61.69 63.52 1r0r s THR 30 Cb -0.12 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.32 1r0r s THR 30 CO 0.06 0.15 0.05 -0.31 -0.69 0.00 0.00 174.62 173.88 1r0r s TYR 31 N 1.51 3.29 0.38 4.92 1.51 0.61 -4.96 117.35 124.61 1r0r s TYR 31 Ca 0.35 0.23 0.07 0.00 -1.01 0.00 0.00 57.07 56.71 1r0r s TYR 31 Cb -0.17 -1.91 0.77 0.00 -0.11 0.00 0.00 41.96 40.54 1r0r s TYR 31 CO 0.14 0.44 1.97 0.78 -1.11 0.00 0.00 175.55 177.77 1r0r h GLY 32 N 5.57 0.49 -1.17 0.71 0.00 -1.89 -0.54 103.07 106.23 1r0r h GLY 32 Ca -0.47 -0.24 0.02 0.00 0.00 0.00 0.00 47.33 46.64 1r0r h GLY 32 CO 0.60 0.23 0.35 0.54 0.00 0.00 0.00 176.54 178.25 1r0r s ASN 33 N -6.76 0.02 0.33 0.19 2.20 -1.26 -0.34 114.94 109.32 1r0r s ASN 33 Ca -0.07 -1.06 0.02 0.00 -0.94 0.00 0.00 52.86 50.80 1r0r s ASN 33 Cb 0.16 0.78 0.56 0.00 -2.00 0.00 0.00 41.25 40.75 1r0r s ASN 33 CO 0.74 -1.55 1.94 0.50 -2.94 0.00 0.00 177.10 175.79 1r0r h LYS 34 N 2.00 0.78 -0.35 3.55 3.64 -1.89 -1.04 116.57 123.26 1r0r h LYS 34 Ca -0.32 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 58.96 1r0r h LYS 34 Cb 1.24 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.90 1r0r h LYS 34 CO 0.40 0.61 0.19 0.00 -2.27 0.00 0.00 179.45 178.38 1r0r h ASN 36 N 0.44 0.78 -0.19 0.00 -0.26 -1.80 -1.87 115.58 112.68 1r0r h ASN 36 Ca 0.12 -0.08 -0.00 0.00 -0.56 0.00 0.00 56.30 55.78 1r0r h ASN 36 Cb 0.07 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.13 1r0r h ASN 36 CO -0.02 0.63 0.10 0.15 -1.06 0.00 0.00 177.43 177.24 1r0r h PHE 37 N 0.86 0.26 -0.53 1.19 3.57 -0.89 -1.92 116.94 119.47 1r0r h PHE 37 Ca 0.22 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.66 1r0r h PHE 37 Cb 0.02 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 1r0r h PHE 37 CO -0.01 0.23 0.11 0.00 -2.23 0.00 0.00 178.31 176.41 1r0r h ASN 39 N 0.79 1.14 -0.14 0.00 2.35 -1.15 -1.55 115.58 117.02 1r0r h ASN 39 Ca 0.17 -0.03 -0.12 0.00 -0.55 0.00 0.00 56.30 55.77 1r0r h ASN 39 Cb 0.32 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 1r0r h ASN 39 CO 0.00 0.82 -0.31 0.00 -1.65 0.00 0.00 177.43 176.29 1r0r h ALA 40 N 1.37 0.90 -0.44 -0.83 0.00 -0.48 -1.35 119.26 118.42 1r0r h ALA 40 Ca 0.37 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1r0r h ALA 40 Cb -0.14 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1r0r h ALA 40 CO -0.09 0.62 0.28 0.28 0.00 0.00 0.00 179.25 180.35 1r0r h VAL 41 N 0.54 1.13 -0.64 0.00 2.07 -0.25 -1.94 116.25 117.15 1r0r h VAL 41 Ca 0.06 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 1r0r h VAL 41 Cb 0.80 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 1r0r h VAL 41 CO 0.07 0.13 0.32 0.58 0.02 0.00 0.00 177.57 178.68 1r0r h VAL 42 N 0.59 1.22 -0.15 2.57 2.07 -1.08 -0.78 116.25 120.69 1r0r h VAL 42 Ca 0.16 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1r0r h VAL 42 Cb -0.03 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1r0r h VAL 42 CO -0.03 0.25 0.10 -0.33 0.02 0.00 0.00 177.57 177.57 1r0r h GLU 43 N 0.88 0.19 -0.09 1.57 5.08 -0.89 -0.60 114.58 120.73 1r0r h GLU 43 Ca 0.22 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1r0r h GLU 43 Cb 0.10 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1r0r h GLU 43 CO -0.03 0.12 0.00 -1.13 -1.00 0.00 0.00 179.01 176.97 1r0r n SER 44 N -4.52 1.07 -3.01 1.42 3.41 -0.76 -4.90 113.62 106.33 1r0r n SER 44 Ca -0.01 -1.55 -0.22 0.00 -0.26 0.00 0.00 58.87 56.83 1r0r n SER 44 Cb 0.09 -0.05 0.03 0.00 -0.26 0.00 0.00 64.21 64.01 1r0r n SER 44 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1r0r n ASN 45 N -0.09 -5.82 0.00 4.04 5.15 -0.23 -2.90 115.26 115.40 1r0r n ASN 45 Ca 0.17 -0.27 0.00 0.00 -0.60 0.00 0.00 54.58 53.87 1r0r n ASN 45 Cb 0.25 -4.72 0.00 0.00 -0.53 0.00 0.00 39.78 34.77 1r0r n ASN 45 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1r0r n GLY 46 N -1.44 0.59 0.07 8.20 0.00 -0.34 -4.93 105.19 107.34 1r0r n GLY 46 Ca -0.11 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 1r0r n GLY 46 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1r0r h THR 47 N 0.00 1.66 -3.07 2.61 1.35 -1.74 -3.44 112.91 110.28 1r0r h THR 47 Ca 0.00 -3.32 -0.53 0.00 -0.55 0.00 0.00 66.41 62.00 1r0r h THR 47 Cb 0.00 2.87 0.01 0.00 -1.73 0.00 0.00 68.15 69.31 1r0r h THR 47 CO 0.00 0.96 0.67 -0.22 -0.25 0.00 0.00 175.52 176.67 1r0r s LEU 48 N -6.84 4.37 0.44 3.87 2.96 -1.26 -5.03 118.68 117.20 1r0r s LEU 48 Ca -0.00 2.20 0.03 0.00 -0.22 0.00 0.00 54.13 56.14 1r0r s LEU 48 Cb 0.09 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 43.17 1r0r s LEU 48 CO 0.84 -0.59 0.04 0.42 -1.32 0.00 0.00 176.35 175.74 1r0r s THR 49 N 1.15 1.17 -0.22 3.68 -4.23 -1.26 -4.82 115.64 111.11 1r0r s THR 49 Ca 0.62 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.96 1r0r s THR 49 Cb -0.34 -2.44 -0.03 0.00 1.34 0.00 0.00 72.50 71.03 1r0r s THR 49 CO 0.30 0.00 0.49 -0.22 -0.54 0.00 0.00 174.62 174.65 1r0r s LEU 50 N -3.73 4.12 -0.13 4.79 2.96 -1.26 -0.44 118.68 124.98 1r0r s LEU 50 Ca 0.19 0.59 -0.23 0.00 -0.22 0.00 0.00 54.13 54.46 1r0r s LEU 50 Cb 0.04 -2.65 -0.21 0.00 0.50 0.00 0.00 46.19 43.87 1r0r s LEU 50 CO 0.10 -0.20 0.62 -1.28 -1.32 0.00 0.00 176.35 174.28 1r0r h SER 51 N 7.64 0.00 -4.46 3.68 0.87 -1.14 -3.44 113.55 116.69 1r0r h SER 51 Ca -0.33 -0.81 0.11 0.00 -1.23 0.00 0.00 61.79 59.54 1r0r h SER 51 Cb 1.15 0.00 -0.18 0.00 -0.44 0.00 0.00 62.40 62.93 1r0r h SER 51 CO 0.73 0.91 0.54 -1.38 -0.53 0.00 0.00 176.83 177.09 1r0r s HIS 52 N -2.09 -0.33 0.61 2.24 0.00 -1.03 -5.03 115.29 109.65 1r0r s HIS 52 Ca -0.15 0.33 -0.17 0.00 -3.00 0.00 0.00 55.06 52.06 1r0r s HIS 52 Cb -0.02 0.51 -0.03 0.00 -4.00 0.00 0.00 32.58 29.04 1r0r s HIS 52 CO 0.56 -0.45 1.11 -0.06 -1.00 0.00 0.00 174.74 174.90 1r0r s PHE 53 N -2.46 2.67 0.00 0.38 0.08 -1.26 -0.60 117.98 116.78 1r0r s PHE 53 Ca 0.03 1.55 0.00 0.00 0.12 0.00 0.00 56.93 58.63 1r0r s PHE 53 Cb -0.01 -3.20 0.00 0.00 -0.57 0.00 0.00 43.02 39.24 1r0r s PHE 53 CO -0.05 -1.59 0.00 0.41 -0.10 0.00 0.00 175.22 173.88 1r0r n GLY 54 N -0.28 0.91 3.76 4.36 0.00 0.72 -4.75 105.19 109.91 1r0r n GLY 54 Ca 0.11 -1.85 -0.34 0.00 0.00 0.00 0.00 46.02 43.94 1r0r n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1r0r s LYS 55 N -2.49 2.77 0.00 1.61 -2.85 -1.26 -2.15 119.74 115.38 1r0r s LYS 55 Ca 0.00 1.54 0.07 0.00 -1.00 0.00 0.00 55.97 56.58 1r0r s LYS 55 Cb 0.00 -1.93 0.43 0.00 -2.06 0.00 0.00 37.83 34.26 1r0r s LYS 55 CO 0.00 -1.30 0.89 0.00 0.10 0.00 0.00 175.35 175.04