#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 1.16 0.14 3.15 -1.32 -1.26 -4.64 115.64 112.86 1xrz s THR 2 Ca 0.00 -2.00 -0.01 0.00 -1.21 0.00 0.00 61.69 58.47 1xrz s THR 2 Cb 0.00 -2.37 -0.04 0.00 -1.51 0.00 0.00 72.50 68.58 1xrz s THR 2 CO 0.00 0.00 0.07 -0.31 -2.21 0.00 0.00 174.62 172.17 1xrz s TYR 3 N -2.95 0.85 0.07 9.09 2.02 0.68 -4.94 117.35 122.17 1xrz s TYR 3 Ca 0.16 -1.22 0.03 0.00 -0.37 0.00 0.00 57.07 55.68 1xrz s TYR 3 Cb 0.04 -0.46 -0.03 0.00 -0.40 0.00 0.00 41.96 41.11 1xrz s TYR 3 CO 0.09 -0.54 -0.10 -0.65 -1.57 0.00 0.00 175.55 172.78 1xrz s GLN 4 N -4.05 0.71 0.76 -0.62 -1.52 -1.26 -1.79 119.66 111.89 1xrz s GLN 4 Ca 0.25 -0.96 -0.11 0.00 -1.95 0.00 0.00 55.36 52.58 1xrz s GLN 4 Cb 0.07 -0.49 0.04 0.00 -0.22 0.00 0.00 33.01 32.41 1xrz s GLN 4 CO 0.02 0.09 1.08 0.00 -0.25 0.00 0.00 175.29 176.23 1xrz n GLN 6 N -3.32 1.91 -0.04 0.00 0.00 -1.26 -4.48 117.38 110.20 1xrz n GLN 6 Ca 0.07 -1.67 -0.09 0.00 -0.00 0.00 0.00 57.00 55.32 1xrz n GLN 6 Cb 0.55 -1.41 -0.03 0.00 0.00 0.00 0.00 30.24 29.35 1xrz n GLN 6 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1xrz n TYR 7 N 1.03 0.00 -2.83 3.69 4.02 -1.26 -5.09 117.16 116.72 1xrz n TYR 7 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.01 1xrz n TYR 7 Cb 0.52 -0.31 0.00 0.00 -0.02 0.00 0.00 39.34 39.53 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 1.28 2.31 0.05 0.00 2.56 -1.26 -4.10 118.70 119.55 1xrz s GLU 9 Ca 0.00 -1.38 -0.26 0.00 0.00 0.00 0.00 54.97 53.33 1xrz s GLU 9 Cb 0.00 -3.23 0.08 0.00 2.00 0.00 0.00 34.13 32.99 1xrz s GLU 9 CO 0.00 -0.70 0.72 -0.98 -0.56 0.00 0.00 175.26 173.74 1xrz s ARG 11 N 1.21 1.07 0.27 4.30 1.70 -1.26 -4.87 118.95 121.37 1xrz s ARG 11 Ca -0.03 -0.25 -0.04 0.00 -0.47 0.00 0.00 55.73 54.94 1xrz s ARG 11 Cb -0.20 0.49 -0.02 0.00 -0.57 0.00 0.00 34.95 34.66 1xrz s ARG 11 CO -0.02 -0.44 0.36 -1.12 -1.08 0.00 0.00 175.30 173.00 1xrz s SER 12 N -2.28 0.45 0.00 -2.89 0.01 -0.74 -4.95 113.70 103.31 1xrz s SER 12 Ca -0.00 -1.31 0.19 0.00 1.31 0.00 0.00 55.95 56.13 1xrz s SER 12 Cb -0.01 0.55 0.31 0.00 0.21 0.00 0.00 66.02 67.08 1xrz s SER 12 CO -0.07 -1.09 1.11 0.00 0.41 0.00 0.00 173.24 173.60 1xrz n ALA 13 N -0.43 2.46 0.07 1.44 0.00 -1.26 -0.23 120.51 122.56 1xrz n ALA 13 Ca 0.01 -1.93 0.00 0.00 0.00 0.00 0.00 53.44 51.52 1xrz n ALA 13 Cb 0.63 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 19.44 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 0.36 0.37 0.00 0.00 2.03 -1.26 -4.93 116.55 113.13 1xrz n ASP 14 Ca 0.01 0.24 0.00 0.00 0.52 0.00 0.00 54.79 55.56 1xrz n ASP 14 Cb 1.02 0.02 0.00 0.00 -0.72 0.00 0.00 41.12 41.45 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 -3.26 0.00 -0.07 1.67 7.64 -1.26 -4.89 113.62 113.45 1xrz n SER 15 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 1xrz n SER 15 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1xrz n SER 15 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1xrz h SER 16 N 0.00 -1.17 -0.82 6.43 0.02 -2.00 -1.29 113.55 114.73 1xrz h SER 16 Ca 0.00 0.18 0.16 0.00 -0.84 0.00 0.00 61.79 61.29 1xrz h SER 16 Cb 0.00 0.52 -0.15 0.00 0.14 0.00 0.00 62.40 62.90 1xrz h SER 16 CO 0.00 -0.36 -0.24 -1.13 -1.14 0.00 0.00 176.83 173.96 1xrz h ASN 17 N -0.34 -0.88 -0.49 3.07 -0.73 -1.99 0.49 115.58 114.70 1xrz h ASN 17 Ca 0.13 0.25 -0.01 0.00 1.87 0.00 0.00 56.30 58.54 1xrz h ASN 17 Cb 0.56 0.55 -0.02 0.00 0.27 0.00 0.00 38.32 39.68 1xrz h ASN 17 CO -0.48 -0.28 0.26 0.25 -0.37 0.00 0.00 177.43 176.81 1xrz h LEU 18 N -0.02 0.62 0.04 0.34 5.85 -1.65 -0.66 115.31 119.82 1xrz h LEU 18 Ca 0.38 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 59.00 1xrz h LEU 18 Cb 0.60 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1xrz h LEU 18 CO -0.85 0.54 -0.04 0.50 -0.34 0.00 0.00 178.44 178.25 1xrz h LYS 19 N 0.65 -0.09 -0.40 1.25 3.64 -0.55 -1.41 116.57 119.65 1xrz h LYS 19 Ca 0.17 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.64 1xrz h LYS 19 Cb 0.07 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 31.82 1xrz h LYS 19 CO -0.03 -0.06 -0.32 1.15 -2.27 0.00 0.00 179.45 177.93 1xrz h THR 20 N -0.09 0.24 -0.18 1.00 2.02 -0.66 -0.40 112.91 114.83 1xrz h THR 20 Ca 0.01 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 1xrz h THR 20 Cb 0.10 0.24 -0.05 0.00 -1.74 0.00 0.00 68.15 66.69 1xrz h THR 20 CO -0.02 0.00 -0.42 -0.74 0.37 0.00 0.00 175.52 174.71 1xrz h HIS 21 N -0.25 -1.28 -0.20 3.16 -0.00 -0.67 -1.78 115.15 114.14 1xrz h HIS 21 Ca 0.17 0.05 0.03 0.00 -0.00 0.00 0.00 60.37 60.63 1xrz h HIS 21 Cb 0.53 0.58 -0.05 0.00 -0.00 0.00 0.00 27.41 28.47 1xrz h HIS 21 CO -0.53 -0.41 -0.41 0.82 -0.00 0.00 0.00 177.93 177.40 1xrz h ILE 22 N -0.40 0.00 -0.96 6.26 2.04 -0.29 0.35 117.51 124.51 1xrz h ILE 22 Ca 0.04 0.00 0.29 0.00 1.00 0.00 0.00 64.86 66.18 1xrz h ILE 22 Cb 0.50 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.40 1xrz h ILE 22 CO -0.38 0.00 0.10 0.29 0.00 0.00 0.00 178.15 178.15 1xrz n LYS 23 N -4.70 -0.07 -0.07 2.37 4.76 -0.25 -1.90 118.16 118.29 1xrz n LYS 23 Ca -0.04 1.43 0.08 0.00 -2.87 0.00 0.00 58.31 56.91 1xrz n LYS 23 Cb 0.27 -2.31 0.12 0.00 -1.84 0.00 0.00 35.03 31.27 1xrz n LYS 23 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1xrz n THR 24 N -5.39 1.74 0.00 -0.18 -2.24 -0.71 -2.50 114.28 105.00 1xrz n THR 24 Ca 0.25 -2.02 0.00 0.00 -2.27 0.00 0.00 64.05 60.01 1xrz n THR 24 Cb 0.82 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.95 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 -1.22 2.53 -0.08 -0.78 4.76 0.12 -4.80 118.16 118.68 1xrz n LYS 25 Ca 0.13 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.43 1xrz n LYS 25 Cb 0.58 -0.86 -0.07 0.00 -1.84 0.00 0.00 35.03 32.84 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 -1.44 0.00 -4.57 2.13 8.25 -0.80 -5.01 115.22 113.78 1xrz n HIS 26 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.20 1xrz n HIS 26 Cb 0.26 -0.63 -0.10 0.00 1.12 0.00 0.00 29.99 30.64 1xrz n HIS 26 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1xrz s SER 27 N -5.94 3.26 -0.46 0.41 1.04 -1.03 -4.79 113.70 106.18 1xrz s SER 27 Ca -0.23 -1.48 0.07 0.00 0.48 0.00 0.00 55.95 54.79 1xrz s SER 27 Cb 0.07 0.03 0.24 0.00 0.10 0.00 0.00 66.02 66.45 1xrz s SER 27 CO 0.35 -0.66 0.55 1.17 0.98 0.00 0.00 173.24 175.63 1xrz n LYS 28 N -0.92 1.10 -3.58 4.02 4.81 -1.04 -2.88 118.16 119.67 1xrz n LYS 28 Ca -0.07 -3.60 -0.23 0.00 -0.87 0.00 0.00 58.31 53.55 1xrz n LYS 28 Cb 0.67 -1.55 -0.01 0.00 0.02 0.00 0.00 35.03 34.15 1xrz n LYS 28 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1xrz s GLU 29 N -1.32 3.46 0.00 1.64 0.41 -1.26 -5.12 118.70 116.51 1xrz s GLU 29 Ca 0.35 -0.49 0.00 0.00 -0.41 0.00 0.00 54.97 54.42 1xrz s GLU 29 Cb 0.14 -2.74 0.00 0.00 -1.78 0.00 0.00 34.13 29.75 1xrz s GLU 29 CO -0.10 0.24 0.21 1.63 -0.49 0.00 0.00 175.26 176.75