#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 1.42 0.44 -0.18 -4.23 -1.26 -4.78 115.64 107.05 1xrz s THR 2 Ca 0.00 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.56 1xrz s THR 2 Cb 0.00 -2.43 -0.06 0.00 1.34 0.00 0.00 72.50 71.35 1xrz s THR 2 CO 0.00 0.00 0.01 -0.31 -0.54 0.00 0.00 174.62 173.78 1xrz s TYR 3 N -2.83 2.35 0.12 3.99 1.51 0.14 -4.96 117.35 117.67 1xrz s TYR 3 Ca 0.15 -0.75 0.01 0.00 -1.01 0.00 0.00 57.07 55.48 1xrz s TYR 3 Cb 0.04 -1.74 -0.04 0.00 -0.11 0.00 0.00 41.96 40.11 1xrz s TYR 3 CO 0.08 0.39 -0.03 -0.65 -1.11 0.00 0.00 175.55 174.23 1xrz s GLN 4 N -3.76 0.91 0.67 -0.62 -1.52 -1.26 -2.05 119.66 112.03 1xrz s GLN 4 Ca 0.27 -1.40 -0.07 0.00 -1.95 0.00 0.00 55.36 52.21 1xrz s GLN 4 Cb 0.08 -0.15 0.04 0.00 -0.22 0.00 0.00 33.01 32.76 1xrz s GLN 4 CO 0.14 -0.08 0.99 0.00 -0.25 0.00 0.00 175.29 176.09 1xrz n GLN 6 N -2.82 2.89 0.00 0.00 1.13 -1.26 -4.61 117.38 112.71 1xrz n GLN 6 Ca 0.07 -2.52 0.00 0.00 -1.94 0.00 0.00 57.00 52.61 1xrz n GLN 6 Cb 0.59 -1.61 0.00 0.00 0.11 0.00 0.00 30.24 29.33 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 -0.13 0.00 -2.90 1.08 4.02 -1.26 -5.13 117.16 112.85 1xrz n TYR 7 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.06 1xrz n TYR 7 Cb 0.70 0.23 0.00 0.00 -0.02 0.00 0.00 39.34 40.26 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 1.16 2.10 -0.11 0.00 2.12 -1.26 -4.38 118.70 118.32 1xrz s GLU 9 Ca 0.00 -1.73 -0.30 0.00 0.36 0.00 0.00 54.97 53.29 1xrz s GLU 9 Cb 0.00 -3.56 0.10 0.00 0.26 0.00 0.00 34.13 30.93 1xrz s GLU 9 CO 0.00 -1.02 0.84 -0.98 -0.54 0.00 0.00 175.26 173.57 1xrz s ARG 11 N 1.18 0.82 0.26 4.30 3.03 -1.26 -4.92 118.95 122.35 1xrz s ARG 11 Ca 0.06 0.23 0.05 0.00 2.03 0.00 0.00 55.73 58.10 1xrz s ARG 11 Cb -0.22 0.39 -0.02 0.00 -1.03 0.00 0.00 34.95 34.06 1xrz s ARG 11 CO -0.03 -0.25 0.17 0.43 -1.13 0.00 0.00 175.30 174.48 1xrz n SER 12 N 0.90 0.15 -0.00 -2.89 7.64 -0.87 -4.93 113.62 113.61 1xrz n SER 12 Ca -0.14 -2.59 0.00 0.00 1.01 0.00 0.00 58.87 57.14 1xrz n SER 12 Cb 0.57 1.03 -0.01 0.00 -1.01 0.00 0.00 64.21 64.80 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 -1.43 2.02 -4.35 -0.43 0.00 -1.26 -0.68 120.51 114.37 1xrz n ALA 13 Ca -0.10 -0.06 -0.20 0.00 0.00 0.00 0.00 53.44 53.08 1xrz n ALA 13 Cb 0.44 0.07 -0.05 0.00 0.00 0.00 0.00 19.45 19.92 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 -1.77 2.21 -0.10 0.00 2.03 -1.26 -4.72 116.55 112.94 1xrz n ASP 14 Ca -0.01 -2.45 -0.15 0.00 0.52 0.00 0.00 54.79 52.70 1xrz n ASP 14 Cb 0.26 0.41 -0.06 0.00 -0.72 0.00 0.00 41.12 41.01 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 -1.40 1.89 -0.35 1.67 7.64 -1.26 -3.84 113.62 117.97 1xrz n SER 15 Ca -0.10 0.43 0.13 0.00 1.01 0.00 0.00 58.87 60.35 1xrz n SER 15 Cb 0.41 -0.84 0.32 0.00 -1.01 0.00 0.00 64.21 63.10 1xrz n SER 15 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1xrz h SER 16 N -1.00 0.74 -0.19 6.43 0.87 -1.99 0.28 113.55 118.69 1xrz h SER 16 Ca -0.23 0.10 0.03 0.00 -1.23 0.00 0.00 61.79 60.46 1xrz h SER 16 Cb 1.06 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.97 1xrz h SER 16 CO -0.14 0.24 0.03 -1.13 -0.53 0.00 0.00 176.83 175.30 1xrz h ASN 17 N 0.72 -0.01 -0.23 6.23 -0.73 -2.00 -1.58 115.58 117.99 1xrz h ASN 17 Ca 0.58 0.03 -0.00 0.00 1.87 0.00 0.00 56.30 58.78 1xrz h ASN 17 Cb 0.93 0.05 -0.01 0.00 0.27 0.00 0.00 38.32 39.55 1xrz h ASN 17 CO -0.40 0.02 0.14 0.25 -0.37 0.00 0.00 177.43 177.07 1xrz h LEU 18 N 0.10 0.27 -0.40 0.34 5.85 -1.10 -2.06 115.31 118.31 1xrz h LEU 18 Ca 0.08 -0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.83 1xrz h LEU 18 Cb 0.08 -0.07 -0.09 0.00 0.37 0.00 0.00 40.66 40.95 1xrz h LEU 18 CO -0.12 0.25 -0.38 0.50 -0.34 0.00 0.00 178.44 178.35 1xrz h LYS 19 N 0.28 -0.28 -0.16 1.25 3.64 -0.82 0.79 116.57 121.27 1xrz h LYS 19 Ca 0.08 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.51 1xrz h LYS 19 Cb 0.02 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 31.84 1xrz h LYS 19 CO -0.02 -0.19 -0.54 1.15 -2.27 0.00 0.00 179.45 177.59 1xrz h THR 20 N -0.29 0.01 -0.75 1.00 2.02 -1.01 -0.05 112.91 113.84 1xrz h THR 20 Ca 0.16 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.49 1xrz h THR 20 Cb 0.57 0.01 -0.14 0.00 -1.74 0.00 0.00 68.15 66.84 1xrz h THR 20 CO -0.56 0.00 -0.19 -0.74 0.37 0.00 0.00 175.52 174.40 1xrz h HIS 21 N -0.57 -0.41 0.30 3.16 -0.00 -0.54 0.00 115.15 117.10 1xrz h HIS 21 Ca 0.04 0.07 -0.00 0.00 -0.00 0.00 0.00 60.37 60.48 1xrz h HIS 21 Cb 0.67 0.30 -0.02 0.00 -0.00 0.00 0.00 27.41 28.36 1xrz h HIS 21 CO -0.60 -0.33 -0.29 0.82 -0.00 0.00 0.00 177.93 177.54 1xrz h ILE 22 N -0.00 0.39 0.00 6.26 2.04 0.46 -0.52 117.51 126.13 1xrz h ILE 22 Ca 0.36 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.22 1xrz h ILE 22 Cb 0.55 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1xrz h ILE 22 CO -0.78 0.00 0.00 0.29 0.00 0.00 0.00 178.15 177.66 1xrz n LYS 23 N -5.41 0.51 -0.07 2.37 5.02 -0.16 -0.49 118.16 119.92 1xrz n LYS 23 Ca -0.09 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.06 1xrz n LYS 23 Cb 0.32 -1.09 -0.06 0.00 -0.02 0.00 0.00 35.03 34.18 1xrz n LYS 23 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1xrz n THR 24 N -0.59 0.80 0.22 -0.18 -1.04 -0.27 -4.50 114.28 108.73 1xrz n THR 24 Ca 0.02 -0.23 0.06 0.00 -2.04 0.00 0.00 64.05 61.85 1xrz n THR 24 Cb 0.01 -1.49 -0.08 0.00 -1.82 0.00 0.00 70.33 66.95 1xrz n THR 24 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1xrz n LYS 25 N -3.44 1.62 -0.04 -2.82 5.02 -0.35 -4.70 118.16 113.45 1xrz n LYS 25 Ca -0.28 -0.06 -0.04 0.00 -2.02 0.00 0.00 58.31 55.91 1xrz n LYS 25 Cb 0.72 -1.17 -0.07 0.00 -0.02 0.00 0.00 35.03 34.50 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 -1.63 0.00 -0.56 2.13 8.25 0.21 -5.07 115.22 118.55 1xrz n HIS 26 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1xrz n HIS 26 Cb 0.25 -0.41 0.00 0.00 1.12 0.00 0.00 29.99 30.94 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 -2.34 -1.03 -4.94 0.41 7.64 0.35 -4.97 113.62 108.75 1xrz n SER 27 Ca -0.14 0.11 -0.27 0.00 1.01 0.00 0.00 58.87 59.59 1xrz n SER 27 Cb 0.77 -0.22 -0.03 0.00 -1.01 0.00 0.00 64.21 63.72 1xrz n SER 27 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1xrz s LYS 28 N -0.04 3.41 0.21 1.43 -0.14 -1.26 -5.02 119.74 118.33 1xrz s LYS 28 Ca 0.00 -0.59 0.00 0.00 -1.36 0.00 0.00 55.97 54.02 1xrz s LYS 28 Cb 0.00 -2.96 0.00 0.00 -1.68 0.00 0.00 37.83 33.19 1xrz s LYS 28 CO 0.00 0.53 0.00 -1.91 -0.76 0.00 0.00 175.35 173.21 1xrz n GLU 29 N -0.45 0.00 0.00 1.68 2.13 -1.26 -5.08 120.64 117.66 1xrz n GLU 29 Ca -0.07 0.00 0.04 0.00 0.66 0.00 0.00 57.16 57.79 1xrz n GLU 29 Cb 0.54 -0.18 0.03 0.00 0.27 0.00 0.00 31.44 32.09 1xrz n GLU 29 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35