#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xrz s THR 2 N 0.00 0.89 -0.38 -0.18 2.01 -1.26 -5.00 115.64 111.71 1xrz s THR 2 Ca 0.00 -2.01 0.02 0.00 0.31 0.00 0.00 61.69 60.01 1xrz s THR 2 Cb 0.00 -2.50 0.11 0.00 0.01 0.00 0.00 72.50 70.12 1xrz s THR 2 CO 0.00 -0.18 0.14 -0.31 -0.69 0.00 0.00 174.62 173.58 1xrz s TYR 3 N -3.52 2.80 0.45 4.92 1.51 -1.26 -4.97 117.35 117.28 1xrz s TYR 3 Ca 0.32 -2.60 -0.06 0.00 -1.01 0.00 0.00 57.07 53.72 1xrz s TYR 3 Cb 0.07 -2.41 -0.04 0.00 -0.11 0.00 0.00 41.96 39.47 1xrz s TYR 3 CO 0.11 -0.86 0.77 -0.65 -1.11 0.00 0.00 175.55 173.81 1xrz s GLN 4 N 0.77 3.60 0.69 -0.62 -1.52 -1.26 -1.38 119.66 119.94 1xrz s GLN 4 Ca 0.13 0.25 -0.11 0.00 -1.95 0.00 0.00 55.36 53.68 1xrz s GLN 4 Cb -0.21 -2.40 0.00 0.00 -0.22 0.00 0.00 33.01 30.19 1xrz s GLN 4 CO -0.09 -0.14 1.06 0.00 -0.25 0.00 0.00 175.29 175.87 1xrz n GLN 6 N -3.05 3.93 0.00 0.00 -0.06 -1.26 -4.44 117.38 112.50 1xrz n GLN 6 Ca 0.07 -2.96 0.00 0.00 -2.00 0.00 0.00 57.00 52.11 1xrz n GLN 6 Cb 0.54 -2.02 0.00 0.00 -4.06 0.00 0.00 30.24 24.71 1xrz n GLN 6 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 1xrz n TYR 7 N 0.28 0.00 -3.25 3.69 4.01 -1.26 -5.12 117.16 115.51 1xrz n TYR 7 Ca 0.24 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.98 1xrz n TYR 7 Cb 1.01 0.32 0.00 0.00 -0.31 0.00 0.00 39.34 40.36 1xrz n TYR 7 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1xrz s GLU 9 N 0.09 2.24 -0.23 0.00 2.56 -1.26 -4.14 118.70 117.97 1xrz s GLU 9 Ca 0.00 -1.36 -0.15 0.00 0.00 0.00 0.00 54.97 53.47 1xrz s GLU 9 Cb 0.00 -2.95 0.07 0.00 2.00 0.00 0.00 34.13 33.25 1xrz s GLU 9 CO 0.00 -0.59 0.57 -0.98 -0.56 0.00 0.00 175.26 173.69 1xrz s ARG 11 N 1.12 0.59 -0.14 4.30 1.70 -1.26 -4.87 118.95 120.38 1xrz s ARG 11 Ca -0.08 0.98 -0.10 0.00 -0.47 0.00 0.00 55.73 56.06 1xrz s ARG 11 Cb -0.20 0.12 -0.06 0.00 -0.57 0.00 0.00 34.95 34.24 1xrz s ARG 11 CO -0.04 -0.14 -0.23 0.43 -1.08 0.00 0.00 175.30 174.23 1xrz n SER 12 N 3.96 1.46 0.00 -2.89 7.64 -0.48 -5.01 113.62 118.29 1xrz n SER 12 Ca -0.20 0.24 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1xrz n SER 12 Cb 0.57 -0.57 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1xrz n SER 12 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xrz n ALA 13 N -3.96 0.00 -2.58 -0.43 0.00 -1.26 -4.96 120.51 107.31 1xrz n ALA 13 Ca -0.24 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 52.92 1xrz n ALA 13 Cb 0.57 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.94 1xrz n ALA 13 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xrz s ASP 14 N -0.38 3.17 -0.49 0.00 -1.08 -1.26 -4.54 116.67 112.09 1xrz s ASP 14 Ca 0.00 -1.65 0.03 0.00 -0.52 0.00 0.00 52.55 50.40 1xrz s ASP 14 Cb 0.00 0.47 0.48 0.00 -1.46 0.00 0.00 42.92 42.41 1xrz s ASP 14 CO 0.00 -0.89 1.69 -1.54 0.52 0.00 0.00 175.17 174.95 1xrz n SER 15 N -1.27 5.91 0.07 -0.34 3.41 -1.26 -3.78 113.62 116.37 1xrz n SER 15 Ca -0.09 -3.77 0.00 0.00 -0.26 0.00 0.00 58.87 54.75 1xrz n SER 15 Cb 0.66 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 1xrz n SER 15 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1xrz n SER 16 N -0.89 0.58 0.22 4.04 2.88 -1.26 -4.67 113.62 114.51 1xrz n SER 16 Ca 0.53 0.24 0.06 0.00 -1.33 0.00 0.00 58.87 58.37 1xrz n SER 16 Cb 0.88 -0.06 0.56 0.00 -0.75 0.00 0.00 64.21 64.83 1xrz n SER 16 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1xrz h ASN 17 N 0.00 0.05 -0.43 -3.46 -0.00 -1.97 -2.19 115.58 107.58 1xrz h ASN 17 Ca 0.00 -0.00 -0.11 0.00 -0.00 0.00 0.00 56.30 56.19 1xrz h ASN 17 Cb 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 38.32 38.29 1xrz h ASN 17 CO 0.00 0.12 -0.15 0.25 -0.00 0.00 0.00 177.43 177.65 1xrz h LEU 18 N 0.06 0.87 -0.06 6.14 5.85 -1.86 0.07 115.31 126.38 1xrz h LEU 18 Ca 0.01 -0.38 -0.00 0.00 0.84 0.00 0.00 57.88 58.35 1xrz h LEU 18 Cb 0.13 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 1xrz h LEU 18 CO 0.01 1.05 0.02 0.50 -0.34 0.00 0.00 178.44 179.68 1xrz h LYS 19 N 0.68 0.09 -0.39 1.25 1.63 -1.72 -1.74 116.57 116.37 1xrz h LYS 19 Ca 0.10 -0.02 0.07 0.00 -0.85 0.00 0.00 60.65 59.96 1xrz h LYS 19 Cb 0.69 -0.01 -0.09 0.00 -0.60 0.00 0.00 32.23 32.22 1xrz h LYS 19 CO 0.05 0.25 -0.41 1.15 -3.45 0.00 0.00 179.45 177.04 1xrz h THR 20 N -0.10 0.13 -0.44 1.00 2.02 -1.27 -1.49 112.91 112.77 1xrz h THR 20 Ca 0.02 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.24 1xrz h THR 20 Cb 0.20 0.13 -0.07 0.00 -1.74 0.00 0.00 68.15 66.68 1xrz h THR 20 CO -0.00 0.00 -0.40 -0.74 0.37 0.00 0.00 175.52 174.75 1xrz h HIS 21 N -0.32 -1.25 -0.49 3.16 -0.00 -0.66 -2.22 115.15 113.37 1xrz h HIS 21 Ca 0.14 0.07 0.06 0.00 -0.00 0.00 0.00 60.37 60.64 1xrz h HIS 21 Cb 0.58 0.60 -0.09 0.00 -0.00 0.00 0.00 27.41 28.50 1xrz h HIS 21 CO -0.60 -0.31 -0.52 0.82 -0.00 0.00 0.00 177.93 177.32 1xrz h ILE 22 N -0.17 0.03 -0.98 6.26 2.04 -0.39 0.58 117.51 124.87 1xrz h ILE 22 Ca 0.07 0.00 0.32 0.00 1.00 0.00 0.00 64.86 66.25 1xrz h ILE 22 Cb 0.37 0.03 -0.18 0.00 -0.74 0.00 0.00 36.82 36.30 1xrz h ILE 22 CO -0.51 0.00 0.20 0.29 0.00 0.00 0.00 178.15 178.13 1xrz n LYS 23 N -5.38 -0.07 -0.09 2.37 5.02 -0.73 -1.17 118.16 118.11 1xrz n LYS 23 Ca -0.02 1.43 -0.14 0.00 -2.02 0.00 0.00 58.31 57.56 1xrz n LYS 23 Cb 0.34 -2.37 -0.14 0.00 -0.02 0.00 0.00 35.03 32.84 1xrz n LYS 23 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1xrz n THR 24 N -5.38 1.49 0.08 -0.18 -2.24 -0.88 -3.59 114.28 103.58 1xrz n THR 24 Ca 0.28 -0.72 0.02 0.00 -2.27 0.00 0.00 64.05 61.35 1xrz n THR 24 Cb 0.93 -1.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.13 1xrz n THR 24 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1xrz h LYS 25 N 0.01 0.00 0.00 -0.78 1.79 -0.71 -3.40 116.57 113.48 1xrz h LYS 25 Ca -0.52 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 57.79 1xrz h LYS 25 Cb 2.07 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 32.70 1xrz h LYS 25 CO -0.01 0.36 -1.56 0.72 -1.08 0.00 0.00 179.45 177.88 1xrz n HIS 26 N -3.02 0.00 -1.79 -1.35 8.25 -0.31 -5.00 115.22 111.99 1xrz n HIS 26 Ca -0.04 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.36 1xrz n HIS 26 Cb 0.78 -0.37 -0.02 0.00 1.12 0.00 0.00 29.99 31.50 1xrz n HIS 26 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1xrz n SER 27 N -3.09 -2.03 -2.45 0.41 7.64 -0.71 -4.77 113.62 108.61 1xrz n SER 27 Ca -0.19 0.25 -0.22 0.00 1.01 0.00 0.00 58.87 59.72 1xrz n SER 27 Cb 0.66 -1.97 0.01 0.00 -1.01 0.00 0.00 64.21 61.90 1xrz n SER 27 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1xrz n LYS 28 N -2.00 2.98 0.00 1.43 4.76 -1.26 -4.98 118.16 119.08 1xrz n LYS 28 Ca -0.07 -4.18 0.00 0.00 -2.87 0.00 0.00 58.31 51.19 1xrz n LYS 28 Cb 0.37 -2.05 0.00 0.00 -1.84 0.00 0.00 35.03 31.52 1xrz n LYS 28 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1xrz n GLU 29 N -0.45 0.00 0.00 1.97 1.02 -1.26 -5.18 120.64 116.74 1xrz n GLU 29 Ca 0.33 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.56 1xrz n GLU 29 Cb 0.75 0.00 0.08 0.00 -0.02 0.00 0.00 31.44 32.25 1xrz n GLU 29 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67