#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 0.87 0.30 -0.18 -4.23 -1.26 -4.90 115.64 106.24 1xrz s THR 2 Ca 0.00 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.60 1xrz s THR 2 Cb 0.00 -2.49 -0.04 0.00 1.34 0.00 0.00 72.50 71.31 1xrz s THR 2 CO 0.00 0.00 0.06 -0.31 -0.54 0.00 0.00 174.62 173.83 1xrz s TYR 3 N -3.21 2.70 0.17 3.99 2.02 -0.04 -4.97 117.35 118.01 1xrz s TYR 3 Ca 0.27 -0.30 0.11 0.00 -0.37 0.00 0.00 57.07 56.78 1xrz s TYR 3 Cb 0.05 -1.39 -0.04 0.00 -0.40 0.00 0.00 41.96 40.18 1xrz s TYR 3 CO 0.14 0.50 -0.24 -1.14 -1.57 0.00 0.00 175.55 173.24 1xrz s GLN 4 N -3.74 1.44 1.07 -0.62 -0.44 -1.26 -2.37 119.66 113.74 1xrz s GLN 4 Ca 0.34 -1.44 -0.16 0.00 -2.50 0.00 0.00 55.36 51.59 1xrz s GLN 4 Cb -0.04 -1.80 0.23 0.00 -1.64 0.00 0.00 33.01 29.76 1xrz s GLN 4 CO 0.21 0.40 1.16 0.00 0.50 0.00 0.00 175.29 177.56 1xrz n GLN 6 N -4.30 1.15 -0.05 0.00 1.13 -1.26 -4.69 117.38 109.36 1xrz n GLN 6 Ca 0.11 -0.07 -0.10 0.00 -1.94 0.00 0.00 57.00 55.00 1xrz n GLN 6 Cb 0.59 -1.32 -0.04 0.00 0.11 0.00 0.00 30.24 29.58 1xrz n GLN 6 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1xrz n TYR 7 N -1.69 0.00 -3.07 1.08 4.02 -1.26 -5.08 117.16 111.16 1xrz n TYR 7 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1xrz n TYR 7 Cb 0.33 -0.39 0.00 0.00 -0.02 0.00 0.00 39.34 39.26 1xrz n TYR 7 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1xrz s GLU 9 N 0.15 2.68 -0.28 0.00 2.56 -1.26 -4.26 118.70 118.28 1xrz s GLU 9 Ca 0.00 -1.13 -0.16 0.00 0.00 0.00 0.00 54.97 53.68 1xrz s GLU 9 Cb 0.00 -3.43 0.11 0.00 2.00 0.00 0.00 34.13 32.81 1xrz s GLU 9 CO 0.00 -0.63 0.81 1.03 -0.56 0.00 0.00 175.26 175.91 1xrz s ARG 11 N 1.41 0.57 0.30 4.30 1.81 -1.26 -4.92 118.95 121.15 1xrz s ARG 11 Ca -0.01 1.00 0.05 0.00 -1.72 0.00 0.00 55.73 55.05 1xrz s ARG 11 Cb -0.19 0.14 -0.06 0.00 -0.45 0.00 0.00 34.95 34.39 1xrz s ARG 11 CO 0.02 -0.12 0.00 -1.12 -0.68 0.00 0.00 175.30 173.40 1xrz s SER 12 N 1.57 2.53 -0.13 0.23 0.01 -1.00 -4.96 113.70 111.96 1xrz s SER 12 Ca -0.09 -1.28 0.19 0.00 1.31 0.00 0.00 55.95 56.07 1xrz s SER 12 Cb -0.05 -0.12 0.44 0.00 0.21 0.00 0.00 66.02 66.50 1xrz s SER 12 CO -0.18 -0.49 1.18 0.00 0.41 0.00 0.00 173.24 174.16 1xrz n ALA 13 N -0.63 3.03 0.00 1.44 0.00 -1.26 -0.86 120.51 122.24 1xrz n ALA 13 Ca -0.04 -2.83 0.00 0.00 0.00 0.00 0.00 53.44 50.57 1xrz n ALA 13 Cb 0.65 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.50 1xrz n ALA 13 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1xrz n ASP 14 N -0.26 -0.01 0.00 0.00 2.03 -1.26 -5.02 116.55 112.04 1xrz n ASP 14 Ca 0.14 0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.46 1xrz n ASP 14 Cb 0.94 0.04 0.00 0.00 -0.72 0.00 0.00 41.12 41.38 1xrz n ASP 14 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1xrz n SER 15 N -2.52 0.00 -0.21 1.67 7.64 -1.26 -4.91 113.62 114.02 1xrz n SER 15 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 1xrz n SER 15 Cb 0.00 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.30 1xrz n SER 15 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1xrz h SER 16 N 0.00 0.42 -0.67 6.43 4.64 -2.00 -0.68 113.55 121.69 1xrz h SER 16 Ca 0.00 0.05 0.14 0.00 -0.47 0.00 0.00 61.79 61.51 1xrz h SER 16 Cb 0.00 -0.03 -0.12 0.00 -0.31 0.00 0.00 62.40 61.95 1xrz h SER 16 CO 0.00 0.26 -0.01 -1.13 -0.87 0.00 0.00 176.83 175.08 1xrz h ASN 17 N 0.56 -0.32 -0.24 4.97 -0.73 -1.99 0.14 115.58 117.97 1xrz h ASN 17 Ca 0.30 0.17 -0.01 0.00 1.87 0.00 0.00 56.30 58.63 1xrz h ASN 17 Cb 0.26 0.31 -0.01 0.00 0.27 0.00 0.00 38.32 39.15 1xrz h ASN 17 CO -0.22 -0.15 0.12 0.25 -0.37 0.00 0.00 177.43 177.07 1xrz h LEU 18 N 0.10 0.30 -0.20 0.34 5.85 -1.55 -0.70 115.31 119.45 1xrz h LEU 18 Ca 0.36 -0.10 0.05 0.00 0.84 0.00 0.00 57.88 59.03 1xrz h LEU 18 Cb 0.59 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.50 1xrz h LEU 18 CO -0.59 0.31 -0.12 0.50 -0.34 0.00 0.00 178.44 178.19 1xrz h LYS 19 N 0.26 -0.11 -0.15 1.25 1.63 -0.35 -0.65 116.57 118.46 1xrz h LYS 19 Ca 0.08 0.01 0.04 0.00 -0.85 0.00 0.00 60.65 59.93 1xrz h LYS 19 Cb 0.08 0.03 -0.07 0.00 -0.60 0.00 0.00 32.23 31.67 1xrz h LYS 19 CO -0.01 -0.07 -0.48 1.15 -3.45 0.00 0.00 179.45 176.59 1xrz h THR 20 N -0.12 0.08 -0.70 1.00 2.02 -0.72 -0.88 112.91 113.59 1xrz h THR 20 Ca 0.11 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.40 1xrz h THR 20 Cb 0.28 0.08 -0.12 0.00 -1.74 0.00 0.00 68.15 66.65 1xrz h THR 20 CO -0.27 0.00 -0.42 -0.74 0.37 0.00 0.00 175.52 174.46 1xrz h HIS 21 N -0.53 -1.24 0.01 3.16 -0.00 -0.39 -0.64 115.15 115.52 1xrz h HIS 21 Ca 0.06 0.09 0.03 0.00 -0.00 0.00 0.00 60.37 60.55 1xrz h HIS 21 Cb 0.65 0.64 -0.05 0.00 -0.00 0.00 0.00 27.41 28.66 1xrz h HIS 21 CO -0.54 -0.41 -0.28 0.82 -0.00 0.00 0.00 177.93 177.52 1xrz h ILE 22 N -0.15 0.37 0.00 6.26 2.04 -0.19 0.94 117.51 126.79 1xrz h ILE 22 Ca 0.22 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.08 1xrz h ILE 22 Cb 0.55 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 1xrz h ILE 22 CO -0.77 0.00 0.03 1.17 0.00 0.00 0.00 178.15 178.58 1xrz n LYS 23 N -5.39 0.00 -0.01 2.37 3.00 -0.33 -0.84 118.16 116.96 1xrz n LYS 23 Ca -0.05 0.37 -0.01 0.00 -0.00 0.00 0.00 58.31 58.62 1xrz n LYS 23 Cb 0.30 -1.53 -0.01 0.00 0.00 0.00 0.00 35.03 33.80 1xrz n LYS 23 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1xrz n THR 24 N -1.36 0.09 -0.06 3.15 -2.24 -0.62 -3.76 114.28 109.48 1xrz n THR 24 Ca 0.00 -0.05 -0.01 0.00 -2.27 0.00 0.00 64.05 61.73 1xrz n THR 24 Cb 0.03 -0.75 -0.16 0.00 -2.10 0.00 0.00 70.33 67.35 1xrz n THR 24 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1xrz n LYS 25 N -2.31 0.67 -0.09 -0.78 4.76 0.23 -4.42 118.16 116.22 1xrz n LYS 25 Ca -0.03 -0.08 0.05 0.00 -2.87 0.00 0.00 58.31 55.38 1xrz n LYS 25 Cb 0.54 -1.53 0.10 0.00 -1.84 0.00 0.00 35.03 32.29 1xrz n LYS 25 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1xrz n HIS 26 N -2.54 0.23 -4.27 2.13 8.25 -0.02 -4.96 115.22 114.03 1xrz n HIS 26 Ca -0.20 -0.26 -0.21 0.00 -0.26 0.00 0.00 57.72 56.80 1xrz n HIS 26 Cb 0.89 -0.01 -0.12 0.00 1.12 0.00 0.00 29.99 31.87 1xrz n HIS 26 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1xrz s SER 27 N -0.94 2.31 -0.30 0.41 0.15 -1.06 -4.96 113.70 109.31 1xrz s SER 27 Ca 0.17 -0.78 0.07 0.00 0.70 0.00 0.00 55.95 56.11 1xrz s SER 27 Cb 0.10 -0.11 0.46 0.00 -1.71 0.00 0.00 66.02 64.75 1xrz s SER 27 CO 0.14 -0.06 1.25 1.17 1.20 0.00 0.00 173.24 176.94 1xrz n LYS 28 N 0.64 3.24 -0.00 5.44 0.00 -1.26 -4.59 118.16 121.63 1xrz n LYS 28 Ca -0.16 -3.98 -0.02 0.00 0.00 0.00 0.00 58.31 54.15 1xrz n LYS 28 Cb 0.56 -2.18 -0.01 0.00 0.00 0.00 0.00 35.03 33.41 1xrz n LYS 28 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1xrz n GLU 29 N -0.79 0.13 0.00 1.64 -0.58 -1.26 -5.19 120.64 114.59 1xrz n GLU 29 Ca 0.41 0.05 0.00 0.00 -0.42 0.00 0.00 57.16 57.20 1xrz n GLU 29 Cb 0.92 -0.62 0.00 0.00 -0.57 0.00 0.00 31.44 31.16 1xrz n GLU 29 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82