#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 2.05 0.11 3.15 -1.32 -1.26 -4.85 115.64 113.52 1xrz s THR 2 Ca 0.00 -1.91 0.05 0.00 -1.21 0.00 0.00 61.69 58.62 1xrz s THR 2 Cb 0.00 -2.96 -0.04 0.00 -1.51 0.00 0.00 72.50 67.99 1xrz s THR 2 CO 0.00 0.00 -0.12 -0.31 -2.21 0.00 0.00 174.62 171.98 1xrz s TYR 3 N -2.68 1.22 0.21 9.09 1.51 -0.52 -5.00 117.35 121.17 1xrz s TYR 3 Ca 0.36 -0.61 0.11 0.00 -1.01 0.00 0.00 57.07 55.91 1xrz s TYR 3 Cb 0.08 -0.65 -0.04 0.00 -0.11 0.00 0.00 41.96 41.23 1xrz s TYR 3 CO 0.19 0.07 -0.18 -0.65 -1.11 0.00 0.00 175.55 173.87 1xrz s GLN 4 N -2.76 1.74 1.26 -0.62 -1.52 -1.26 -1.51 119.66 115.00 1xrz s GLN 4 Ca 0.07 -1.49 -0.18 0.00 -1.95 0.00 0.00 55.36 51.82 1xrz s GLN 4 Cb -0.04 -1.94 0.31 0.00 -0.22 0.00 0.00 33.01 31.13 1xrz s GLN 4 CO 0.01 0.40 1.00 0.00 -0.25 0.00 0.00 175.29 176.45 1xrz n GLN 6 N -5.13 0.66 -0.08 0.00 6.02 -1.26 -4.61 117.38 112.97 1xrz n GLN 6 Ca 0.08 -0.02 -0.13 0.00 -0.01 0.00 0.00 57.00 56.92 1xrz n GLN 6 Cb 0.58 -1.59 -0.07 0.00 1.02 0.00 0.00 30.24 30.17 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 -2.60 0.00 -3.00 1.08 4.01 -1.26 -5.05 117.16 110.34 1xrz n TYR 7 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 1xrz n TYR 7 Cb 0.85 -0.60 0.00 0.00 -0.31 0.00 0.00 39.34 39.27 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 0.54 2.80 -0.26 0.00 2.56 -1.26 -3.98 118.70 119.10 1xrz s GLU 9 Ca 0.00 -0.79 -0.14 0.00 0.00 0.00 0.00 54.97 54.04 1xrz s GLU 9 Cb 0.00 -2.14 0.08 0.00 2.00 0.00 0.00 34.13 34.07 1xrz s GLU 9 CO 0.00 0.14 0.63 0.50 -0.56 0.00 0.00 175.26 175.97 1xrz s ARG 11 N 0.43 0.63 0.20 4.30 3.52 -1.26 -4.82 118.95 121.95 1xrz s ARG 11 Ca -0.17 1.15 0.02 0.00 -0.13 0.00 0.00 55.73 56.60 1xrz s ARG 11 Cb -0.17 0.16 -0.05 0.00 -1.56 0.00 0.00 34.95 33.33 1xrz s ARG 11 CO 0.07 -0.16 0.01 -1.12 -0.81 0.00 0.00 175.30 173.30 1xrz s SER 12 N 1.70 1.39 -0.00 -2.12 0.01 -0.57 -5.00 113.70 109.11 1xrz s SER 12 Ca -0.09 -1.21 0.10 0.00 1.31 0.00 0.00 55.95 56.06 1xrz s SER 12 Cb -0.06 0.09 -0.12 0.00 0.21 0.00 0.00 66.02 66.14 1xrz s SER 12 CO -0.18 -0.57 0.42 0.00 0.41 0.00 0.00 173.24 173.32 1xrz n ALA 13 N -0.32 3.26 -2.62 1.44 0.00 -1.26 -1.44 120.51 119.57 1xrz n ALA 13 Ca -0.05 -0.29 -0.28 0.00 0.00 0.00 0.00 53.44 52.82 1xrz n ALA 13 Cb 0.64 -0.37 -0.10 0.00 0.00 0.00 0.00 19.45 19.61 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 -2.10 3.67 -0.08 0.00 -1.08 -1.26 -4.89 116.67 110.93 1xrz s ASP 14 Ca 0.03 -1.44 -0.10 0.00 -0.52 0.00 0.00 52.55 50.52 1xrz s ASP 14 Cb 0.08 -0.12 -0.03 0.00 -1.46 0.00 0.00 42.92 41.38 1xrz s ASP 14 CO 0.43 -0.58 -0.19 -0.24 0.52 0.00 0.00 175.17 175.11 1xrz n SER 15 N -1.01 1.21 -0.25 -0.34 2.88 -1.26 -4.18 113.62 110.67 1xrz n SER 15 Ca -0.08 0.20 0.21 0.00 -1.33 0.00 0.00 58.87 57.87 1xrz n SER 15 Cb 0.67 -0.57 0.39 0.00 -0.75 0.00 0.00 64.21 63.96 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 -3.70 0.18 0.12 -3.46 3.41 -1.26 -0.20 113.62 108.71 1xrz n SER 16 Ca -0.07 1.28 -0.12 0.00 -0.26 0.00 0.00 58.87 59.70 1xrz n SER 16 Cb 0.28 -0.58 -0.07 0.00 -0.26 0.00 0.00 64.21 63.57 1xrz n SER 16 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1xrz h ASN 17 N 0.00 -0.31 -0.94 4.04 4.21 -2.00 -2.25 115.58 118.33 1xrz h ASN 17 Ca 0.60 -0.22 0.14 0.00 1.21 0.00 0.00 56.30 58.03 1xrz h ASN 17 Cb 1.53 0.08 -0.08 0.00 -1.12 0.00 0.00 38.32 38.73 1xrz h ASN 17 CO -0.63 0.14 0.60 0.25 -1.29 0.00 0.00 177.43 176.50 1xrz h LEU 18 N -0.85 0.76 0.44 1.61 5.85 -0.75 0.49 115.31 122.86 1xrz h LEU 18 Ca -0.04 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1xrz h LEU 18 Cb 0.51 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.44 1xrz h LEU 18 CO 0.06 0.39 -0.21 0.50 -0.34 0.00 0.00 178.44 178.84 1xrz h LYS 19 N 0.81 -0.57 -0.46 1.25 3.64 -1.20 -1.19 116.57 118.85 1xrz h LYS 19 Ca 0.47 0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.98 1xrz h LYS 19 Cb 0.64 0.13 -0.09 0.00 -0.41 0.00 0.00 32.23 32.50 1xrz h LYS 19 CO -0.23 -0.31 -0.16 1.15 -2.27 0.00 0.00 179.45 177.63 1xrz h THR 20 N -0.74 0.46 -0.43 1.00 2.02 -0.66 -0.90 112.91 113.66 1xrz h THR 20 Ca -0.06 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.17 1xrz h THR 20 Cb 0.53 0.46 -0.08 0.00 -1.74 0.00 0.00 68.15 67.31 1xrz h THR 20 CO 0.10 0.00 -0.54 -0.74 0.37 0.00 0.00 175.52 174.71 1xrz h HIS 21 N -0.06 -1.66 0.05 3.16 -0.00 -0.67 -2.13 115.15 113.85 1xrz h HIS 21 Ca 0.22 0.08 0.01 0.00 -0.00 0.00 0.00 60.37 60.69 1xrz h HIS 21 Cb 0.40 0.78 -0.04 0.00 -0.00 0.00 0.00 27.41 28.54 1xrz h HIS 21 CO -0.43 -0.47 -0.45 0.82 -0.00 0.00 0.00 177.93 177.40 1xrz h ILE 22 N -0.36 0.00 -1.12 6.26 2.04 -0.13 -0.42 117.51 123.78 1xrz h ILE 22 Ca 0.07 0.00 0.44 0.00 1.00 0.00 0.00 64.86 66.37 1xrz h ILE 22 Cb 0.56 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.48 1xrz h ILE 22 CO -0.60 0.00 0.65 1.17 0.00 0.00 0.00 178.15 179.38 1xrz n LYS 23 N -4.98 -0.05 -0.08 2.37 4.81 -0.45 -0.87 118.16 118.91 1xrz n LYS 23 Ca -0.07 1.32 -0.09 0.00 -0.87 0.00 0.00 58.31 58.61 1xrz n LYS 23 Cb 0.34 -2.45 -0.12 0.00 0.02 0.00 0.00 35.03 32.81 1xrz n LYS 23 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1xrz n THR 24 N -5.06 1.10 0.06 3.15 5.66 -0.86 -3.85 114.28 114.49 1xrz n THR 24 Ca 0.38 -0.64 0.04 0.00 -3.05 0.00 0.00 64.05 60.79 1xrz n THR 24 Cb 1.37 -0.67 -0.05 0.00 -1.55 0.00 0.00 70.33 69.43 1xrz n THR 24 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1xrz n LYS 25 N -2.66 0.62 -0.03 1.09 5.02 -0.19 -4.59 118.16 117.40 1xrz n LYS 25 Ca -0.27 0.18 -0.07 0.00 -2.02 0.00 0.00 58.31 56.12 1xrz n LYS 25 Cb 1.00 -1.81 -0.03 0.00 -0.02 0.00 0.00 35.03 34.17 1xrz n LYS 25 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1xrz n HIS 26 N -2.80 0.00 0.00 2.13 8.25 -0.38 -5.06 115.22 117.37 1xrz n HIS 26 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 1xrz n HIS 26 Cb 0.73 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.58 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 -3.22 0.00 0.05 0.41 7.64 -0.05 -5.03 113.62 113.42 1xrz n SER 27 Ca -0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.74 1xrz n SER 27 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 1xrz n SER 27 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1xrz n LYS 28 N 0.16 0.00 0.01 1.43 4.81 -1.26 -4.35 118.16 118.97 1xrz n LYS 28 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1xrz n LYS 28 Cb 0.00 -0.45 0.00 0.00 0.02 0.00 0.00 35.03 34.60 1xrz n LYS 28 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1xrz n GLU 29 N -3.39 0.00 0.00 1.64 4.07 -1.26 -5.11 120.64 116.59 1xrz n GLU 29 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1xrz n GLU 29 Cb 0.09 -0.34 0.00 0.00 -0.06 0.00 0.00 31.44 31.13 1xrz n GLU 29 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24