#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 2.68 -0.07 3.15 2.01 -1.26 -5.00 115.64 117.15 1xrz s THR 2 Ca 0.00 -0.93 0.05 0.00 0.31 0.00 0.00 61.69 61.12 1xrz s THR 2 Cb 0.00 -2.75 -0.01 0.00 0.01 0.00 0.00 72.50 69.75 1xrz s THR 2 CO 0.00 0.00 -0.23 -0.31 -0.69 0.00 0.00 174.62 173.39 1xrz s TYR 3 N -2.53 2.35 0.01 4.92 1.51 -0.47 -5.02 117.35 118.12 1xrz s TYR 3 Ca 0.58 -0.78 0.01 0.00 -1.01 0.00 0.00 57.07 55.87 1xrz s TYR 3 Cb -0.09 -1.56 -0.04 0.00 -0.11 0.00 0.00 41.96 40.17 1xrz s TYR 3 CO 0.36 -0.27 0.02 -1.14 -1.11 0.00 0.00 175.55 173.41 1xrz s GLN 4 N 0.04 2.83 1.01 -0.62 -0.44 -1.26 -1.12 119.66 120.10 1xrz s GLN 4 Ca -0.08 -0.61 -0.18 0.00 -2.50 0.00 0.00 55.36 51.99 1xrz s GLN 4 Cb -0.15 -2.70 -0.04 0.00 -1.64 0.00 0.00 33.01 28.47 1xrz s GLN 4 CO 0.05 0.62 -0.40 0.00 0.50 0.00 0.00 175.29 176.06 1xrz n GLN 6 N 0.18 2.82 0.07 0.00 6.02 -1.26 -4.64 117.38 120.57 1xrz n GLN 6 Ca 0.01 -2.54 0.00 0.00 -0.01 0.00 0.00 57.00 54.46 1xrz n GLN 6 Cb 0.61 -1.62 0.00 0.00 1.02 0.00 0.00 30.24 30.24 1xrz n GLN 6 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1xrz n TYR 7 N -0.25 -1.16 0.00 1.08 4.02 -1.26 -5.11 117.16 114.48 1xrz n TYR 7 Ca 0.17 0.20 0.00 0.00 -0.01 0.00 0.00 57.90 58.27 1xrz n TYR 7 Cb 0.71 0.50 0.00 0.00 -0.02 0.00 0.00 39.34 40.54 1xrz n TYR 7 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1xrz n GLU 9 N 0.00 2.19 -3.66 0.00 0.00 -1.26 -4.52 120.64 113.39 1xrz n GLU 9 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 57.16 57.09 1xrz n GLU 9 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 31.44 31.35 1xrz n GLU 9 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.13 176.15 1xrz s ARG 11 N 4.73 0.44 0.17 5.31 1.70 -1.26 -0.57 118.95 129.47 1xrz s ARG 11 Ca 0.00 1.07 0.03 0.00 -0.47 0.00 0.00 55.73 56.36 1xrz s ARG 11 Cb 0.00 0.31 -0.05 0.00 -0.57 0.00 0.00 34.95 34.64 1xrz s ARG 11 CO 0.00 -0.20 -0.05 -1.12 -1.08 0.00 0.00 175.30 172.85 1xrz s SER 12 N 2.21 1.61 -0.26 -2.89 0.01 -0.28 -5.00 113.70 109.11 1xrz s SER 12 Ca -0.06 -1.11 0.10 0.00 1.31 0.00 0.00 55.95 56.20 1xrz s SER 12 Cb -0.10 0.03 0.46 0.00 0.21 0.00 0.00 66.02 66.62 1xrz s SER 12 CO -0.15 -0.45 1.19 0.00 0.41 0.00 0.00 173.24 174.24 1xrz n ALA 13 N -0.26 4.43 0.06 1.44 0.00 -1.26 -1.37 120.51 123.56 1xrz n ALA 13 Ca -0.08 -3.55 0.00 0.00 0.00 0.00 0.00 53.44 49.81 1xrz n ALA 13 Cb 0.62 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.67 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 -0.73 -0.20 0.00 0.00 -0.08 -1.26 -5.01 116.55 109.26 1xrz n ASP 14 Ca 0.34 0.21 0.00 0.00 -1.51 0.00 0.00 54.79 53.84 1xrz n ASP 14 Cb 0.91 0.30 0.00 0.00 2.34 0.00 0.00 41.12 44.67 1xrz n ASP 14 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1xrz n SER 15 N -2.89 0.00 -0.31 1.67 2.88 -1.26 -4.94 113.62 108.77 1xrz n SER 15 Ca 0.00 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.55 1xrz n SER 15 Cb 0.00 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.52 1xrz n SER 15 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1xrz n SER 16 N 0.00 -0.46 -0.13 -3.46 3.41 -1.26 0.32 113.62 112.04 1xrz n SER 16 Ca 0.00 1.42 -0.10 0.00 -0.26 0.00 0.00 58.87 59.94 1xrz n SER 16 Cb 0.00 -0.36 -0.01 0.00 -0.26 0.00 0.00 64.21 63.58 1xrz n SER 16 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1xrz h ASN 17 N 0.00 0.55 -1.00 4.04 -0.00 -2.00 -2.55 115.58 114.61 1xrz h ASN 17 Ca 0.32 -0.21 0.10 0.00 -0.00 0.00 0.00 56.30 56.51 1xrz h ASN 17 Cb 0.52 -0.14 -0.08 0.00 -0.00 0.00 0.00 38.32 38.62 1xrz h ASN 17 CO -0.82 0.61 0.63 0.25 -0.00 0.00 0.00 177.43 178.10 1xrz h LEU 18 N 0.46 0.96 0.40 0.34 5.85 -0.54 -0.20 115.31 122.57 1xrz h LEU 18 Ca 0.12 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1xrz h LEU 18 Cb 0.26 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 1xrz h LEU 18 CO -0.00 0.55 -0.23 0.11 -0.34 0.00 0.00 178.44 178.53 1xrz h LYS 19 N 1.06 -0.57 -0.49 1.25 1.79 -0.66 -1.00 116.57 117.95 1xrz h LYS 19 Ca 0.47 0.04 0.09 0.00 -2.18 0.00 0.00 60.65 59.07 1xrz h LYS 19 Cb 0.37 0.13 -0.10 0.00 -1.58 0.00 0.00 32.23 31.05 1xrz h LYS 19 CO -0.23 -0.38 -0.37 1.15 -1.08 0.00 0.00 179.45 178.53 1xrz h THR 20 N -0.59 0.16 -0.68 -0.16 2.02 -0.82 -0.33 112.91 112.51 1xrz h THR 20 Ca -0.05 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.23 1xrz h THR 20 Cb 0.48 0.16 -0.11 0.00 -1.74 0.00 0.00 68.15 66.93 1xrz h THR 20 CO 0.06 0.00 -0.45 -0.74 0.37 0.00 0.00 175.52 174.76 1xrz h HIS 21 N -0.24 -1.34 -0.88 3.16 -0.00 -0.65 0.46 115.15 115.65 1xrz h HIS 21 Ca 0.18 0.09 0.14 0.00 -0.00 0.00 0.00 60.37 60.78 1xrz h HIS 21 Cb 0.56 0.68 -0.09 0.00 -0.00 0.00 0.00 27.41 28.56 1xrz h HIS 21 CO -0.62 -0.42 0.48 0.82 -0.00 0.00 0.00 177.93 178.20 1xrz h ILE 22 N -0.18 0.79 -0.35 6.26 2.04 0.25 -0.28 117.51 126.04 1xrz h ILE 22 Ca 0.19 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1xrz h ILE 22 Cb 0.55 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1xrz h ILE 22 CO -0.75 0.13 0.00 0.29 0.00 0.00 0.00 178.15 177.82 1xrz n LYS 23 N -4.80 2.98 0.00 2.37 4.76 0.14 -0.81 118.16 122.79 1xrz n LYS 23 Ca 0.17 -1.74 0.00 0.00 -2.87 0.00 0.00 58.31 53.88 1xrz n LYS 23 Cb 0.41 -1.82 0.00 0.00 -1.84 0.00 0.00 35.03 31.78 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 0.43 0.00 -0.10 -0.18 -2.24 0.01 -4.62 114.28 107.57 1xrz n THR 24 Ca 0.15 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.76 1xrz n THR 24 Cb 0.70 -0.51 -0.09 0.00 -2.10 0.00 0.00 70.33 68.34 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 -2.18 0.49 -1.53 -0.78 4.76 -0.23 -4.51 118.16 114.18 1xrz n LYS 25 Ca 0.00 0.14 -0.37 0.00 -2.87 0.00 0.00 58.31 55.22 1xrz n LYS 25 Cb 0.41 -1.37 0.07 0.00 -1.84 0.00 0.00 35.03 32.30 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 -3.37 3.15 -2.98 2.13 8.25 0.01 -4.49 115.22 117.91 1xrz n HIS 26 Ca -0.38 -2.79 -0.24 0.00 -0.26 0.00 0.00 57.72 54.04 1xrz n HIS 26 Cb 0.86 -1.36 -0.03 0.00 1.12 0.00 0.00 29.99 30.58 1xrz n HIS 26 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1xrz n SER 27 N -0.79 3.36 -3.04 0.41 2.88 -1.16 -4.64 113.62 110.63 1xrz n SER 27 Ca 0.60 -3.47 -0.26 0.00 -1.33 0.00 0.00 58.87 54.41 1xrz n SER 27 Cb 0.52 -0.57 -0.04 0.00 -0.75 0.00 0.00 64.21 63.36 1xrz n SER 27 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1xrz n LYS 28 N -0.10 2.78 0.00 -1.46 2.85 -1.26 -4.69 118.16 116.28 1xrz n LYS 28 Ca 0.29 -4.60 0.00 0.00 -1.05 0.00 0.00 58.31 52.95 1xrz n LYS 28 Cb 0.50 -2.14 0.00 0.00 -0.65 0.00 0.00 35.03 32.73 1xrz n LYS 28 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 1xrz n GLU 29 N -0.00 1.96 0.00 -1.58 0.00 -1.26 -5.25 120.64 114.50 1xrz n GLU 29 Ca 0.30 0.00 0.02 0.00 0.00 0.00 0.00 57.16 57.48 1xrz n GLU 29 Cb 0.43 -0.98 0.02 0.00 0.00 0.00 0.00 31.44 30.91 1xrz n GLU 29 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30