#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2roz n ALA 2 N 0.00 0.00 -0.80 -1.67 0.00 -1.26 -4.92 120.51 111.86 2roz n ALA 2 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 2roz n ALA 2 Cb 0.00 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.57 2roz n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2roz n ALA 3 N 0.00 -2.89 -0.30 0.00 0.00 -1.26 -4.94 120.51 111.13 2roz n ALA 3 Ca 0.00 -0.65 -0.29 0.00 0.00 0.00 0.00 53.44 52.50 2roz n ALA 3 Cb 0.00 -1.74 0.27 0.00 0.00 0.00 0.00 19.45 17.99 2roz n ALA 3 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2roz n VAL 4 N -3.57 0.00 -3.46 0.00 3.14 -1.26 -4.98 118.33 108.19 2roz n VAL 4 Ca 0.06 -0.08 -0.35 0.00 -2.96 0.00 0.00 64.34 61.01 2roz n VAL 4 Cb 0.54 -0.93 -0.06 0.00 -1.06 0.00 0.00 33.84 32.34 2roz n VAL 4 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 2roz s THR 5 N -2.14 4.97 -0.85 1.55 -1.32 -1.26 -4.78 115.64 111.80 2roz s THR 5 Ca 0.64 0.61 -0.07 0.00 -1.21 0.00 0.00 61.69 61.66 2roz s THR 5 Cb -0.13 -3.68 -0.11 0.00 -1.51 0.00 0.00 72.50 67.07 2roz s THR 5 CO 0.55 0.22 2.58 -0.81 -2.21 0.00 0.00 174.62 174.95 2roz n PRO 6 N 0.72 2.39 0.06 7.08 -0.04 -1.26 -3.09 135.00 140.86 2roz n PRO 6 Ca -0.06 -1.46 0.00 0.00 -0.04 0.00 0.00 63.50 61.94 2roz n PRO 6 Cb 0.52 -2.38 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 2roz n PRO 6 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2roz n GLU 7 N 3.55 0.00 -0.34 0.54 4.07 -1.26 -4.92 120.64 122.27 2roz n GLU 7 Ca 0.51 0.00 0.20 0.00 -0.06 0.00 0.00 57.16 57.81 2roz n GLU 7 Cb 0.33 0.00 0.44 0.00 -0.06 0.00 0.00 31.44 32.15 2roz n GLU 7 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 2roz h GLU 8 N 0.00 0.48 -0.90 5.31 4.22 -1.96 0.53 114.58 122.26 2roz h GLU 8 Ca 0.00 -0.03 0.08 0.00 0.08 0.00 0.00 59.36 59.49 2roz h GLU 8 Cb 0.00 -0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.07 2roz h GLU 8 CO 0.00 0.32 0.56 0.00 -2.18 0.00 0.00 179.01 177.70 2roz h ARG 9 N 0.49 0.94 -0.63 1.92 3.08 -1.92 1.12 114.38 119.38 2roz h ARG 9 Ca 0.63 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.59 2roz h ARG 9 Cb 1.37 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 31.18 2roz h ARG 9 CO -0.41 0.62 0.26 1.25 -1.07 0.00 0.00 179.97 180.63 2roz h HIS 10 N 0.97 0.96 0.25 3.04 2.76 -0.29 -1.70 115.15 121.13 2roz h HIS 10 Ca 0.41 -0.07 -0.01 0.00 -2.20 0.00 0.00 60.37 58.50 2roz h HIS 10 Cb 0.28 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 28.95 2roz h HIS 10 CO -0.03 0.75 -0.12 -0.07 -1.30 0.00 0.00 177.93 177.16 2roz h LEU 11 N 0.89 -0.28 -1.86 0.26 3.38 -0.67 -2.84 115.31 114.18 2roz h LEU 11 Ca 0.21 0.01 0.54 0.00 0.09 0.00 0.00 57.88 58.74 2roz h LEU 11 Cb 0.19 0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.94 2roz h LEU 11 CO -0.02 -0.04 1.34 -0.24 0.09 0.00 0.00 178.44 179.57 2roz n SER 12 N -3.77 0.01 0.28 -0.43 2.88 0.37 0.11 113.62 113.07 2roz n SER 12 Ca -0.04 0.96 -0.12 0.00 -1.33 0.00 0.00 58.87 58.34 2roz n SER 12 Cb 0.13 -0.48 -0.05 0.00 -0.75 0.00 0.00 64.21 63.06 2roz n SER 12 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2roz h LYS 13 N 0.00 -0.73 -0.22 -1.46 3.64 -1.24 -2.98 116.57 113.58 2roz h LYS 13 Ca 0.89 0.05 0.06 0.00 -1.27 0.00 0.00 60.65 60.39 2roz h LYS 13 Cb 3.57 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 35.55 2roz h LYS 13 CO -0.03 -0.48 0.37 0.52 -2.27 0.00 0.00 179.45 177.56 2roz h MET 14 N -1.15 0.00 0.00 1.90 2.86 0.97 0.74 114.93 120.25 2roz h MET 14 Ca -0.08 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.52 2roz h MET 14 Cb 0.58 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 2roz h MET 14 CO 0.13 0.00 -0.19 1.96 1.06 0.00 0.00 176.91 179.87 2roz h GLN 15 N 0.00 0.00 0.00 1.72 4.20 -0.91 -3.24 115.11 116.88 2roz h GLN 15 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 2roz h GLN 15 Cb 0.85 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.63 2roz h GLN 15 CO -0.00 0.19 0.00 1.04 -0.67 0.00 0.00 178.83 179.39 2roz n GLN 16 N -3.73 0.00 0.03 1.46 6.02 0.21 -4.90 117.38 116.47 2roz n GLN 16 Ca -0.02 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.91 2roz n GLN 16 Cb 0.30 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.52 2roz n GLN 16 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 2roz h ASN 17 N 0.00 -0.66 -4.44 1.08 2.35 -0.44 -3.48 115.58 109.99 2roz h ASN 17 Ca 0.00 0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 2roz h ASN 17 Cb 0.00 0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.62 2roz h ASN 17 CO 0.00 -0.22 0.00 0.61 -1.65 0.00 0.00 177.43 176.17 2roz n GLY 18 N -1.19 -3.13 3.17 2.83 0.00 -1.13 -4.95 105.19 100.79 2roz n GLY 18 Ca -0.03 -1.79 -0.29 0.00 0.00 0.00 0.00 46.02 43.91 2roz n GLY 18 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2roz s TYR 19 N -0.93 2.06 -0.35 1.61 5.04 -1.26 -4.81 117.35 118.71 2roz s TYR 19 Ca 0.00 -0.70 0.04 0.00 -2.44 0.00 0.00 57.07 53.97 2roz s TYR 19 Cb 0.00 -1.39 0.10 0.00 0.35 0.00 0.00 41.96 41.03 2roz s TYR 19 CO 0.00 -0.26 0.07 -2.00 -1.34 0.00 0.00 175.55 172.01 2roz s GLU 20 N 0.18 1.43 -0.24 4.97 -6.30 -1.26 -5.07 118.70 112.41 2roz s GLU 20 Ca -0.10 -1.84 -0.30 0.00 -2.50 0.00 0.00 54.97 50.23 2roz s GLU 20 Cb -0.14 -3.09 -0.07 0.00 0.00 0.00 0.00 34.13 30.82 2roz s GLU 20 CO 0.05 -0.95 2.21 -1.71 0.02 0.00 0.00 175.26 174.87 2roz n ASN 21 N 4.24 3.03 0.02 -1.70 5.15 -1.26 -4.83 115.26 119.91 2roz n ASN 21 Ca 0.04 0.28 -0.19 0.00 -0.60 0.00 0.00 54.58 54.11 2roz n ASN 21 Cb 0.41 -1.49 -0.09 0.00 -0.53 0.00 0.00 39.78 38.09 2roz n ASN 21 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2roz h PRO 22 N 14.26 0.73 -1.35 1.20 0.13 -1.98 -3.21 132.00 141.78 2roz h PRO 22 Ca -0.38 -0.71 0.44 0.00 -0.87 0.00 0.00 66.00 64.48 2roz h PRO 22 Cb 1.26 0.18 -0.13 0.00 0.13 0.00 0.00 31.00 32.45 2roz h PRO 22 CO 0.97 1.29 0.87 0.00 -0.23 0.00 0.00 178.00 180.91 2roz h THR 23 N 0.44 0.11 -0.41 1.56 1.03 -2.07 0.78 112.91 114.35 2roz h THR 23 Ca -0.10 -0.03 0.07 0.00 -0.01 0.00 0.00 66.41 66.35 2roz h THR 23 Cb 1.59 0.03 -0.06 0.00 -1.07 0.00 0.00 68.15 68.63 2roz h THR 23 CO 0.19 0.01 0.03 0.22 -0.01 0.00 0.00 175.52 175.96 2roz h TYR 24 N 0.07 0.03 0.00 0.00 3.20 -1.95 -3.44 116.97 114.87 2roz h TYR 24 Ca 0.83 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.73 2roz h TYR 24 Cb 2.64 0.05 0.00 0.00 1.54 0.00 0.00 36.73 40.96 2roz h TYR 24 CO -0.01 -0.06 0.00 1.17 -1.64 0.00 0.00 178.16 177.63 2roz n LYS 25 N -5.17 0.00 -3.10 1.82 3.00 0.27 -4.78 118.16 110.20 2roz n LYS 25 Ca 0.03 0.00 -0.18 0.00 -0.00 0.00 0.00 58.31 58.16 2roz n LYS 25 Cb 0.21 0.00 0.02 0.00 0.00 0.00 0.00 35.03 35.26 2roz n LYS 25 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2roz n PHE 26 N 0.00 -3.01 -2.25 5.64 7.35 -1.26 -4.61 117.46 119.31 2roz n PHE 26 Ca 0.00 1.24 -0.01 0.00 -0.76 0.00 0.00 57.45 57.92 2roz n PHE 26 Cb 0.00 -3.03 -0.01 0.00 0.35 0.00 0.00 39.48 36.79 2roz n PHE 26 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2roz n PHE 27 N -0.04 -4.26 -1.55 -5.13 7.35 -1.26 -4.70 117.46 107.87 2roz n PHE 27 Ca 0.03 2.53 -0.42 0.00 -0.76 0.00 0.00 57.45 58.82 2roz n PHE 27 Cb 0.50 -3.66 -0.03 0.00 0.35 0.00 0.00 39.48 36.64 2roz n PHE 27 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 2roz n GLU 28 N 1.61 2.23 -3.96 -4.13 1.02 -1.26 -4.43 120.64 111.72 2roz n GLU 28 Ca -0.07 -2.31 -0.32 0.00 -0.02 0.00 0.00 57.16 54.44 2roz n GLU 28 Cb 0.11 -3.16 -0.07 0.00 -0.02 0.00 0.00 31.44 28.30 2roz n GLU 28 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2roz n GLN 29 N 6.74 -0.82 -1.77 3.49 0.00 -1.26 -4.68 117.38 119.07 2roz n GLN 29 Ca 0.50 0.10 -0.31 0.00 0.00 0.00 0.00 57.00 57.29 2roz n GLN 29 Cb 0.40 -3.51 -0.04 0.00 0.00 0.00 0.00 30.24 27.09 2roz n GLN 29 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.06 175.42 2roz s MET 30 N -6.19 2.21 0.02 2.61 -1.94 -1.26 -4.58 119.30 110.18 2roz s MET 30 Ca 0.46 0.76 0.00 0.00 -1.71 0.00 0.00 55.69 55.20 2roz s MET 30 Cb -0.27 -4.64 0.00 0.00 2.01 0.00 0.00 34.83 31.93 2roz s MET 30 CO 0.82 -3.37 0.00 1.04 -0.01 0.00 0.00 175.02 173.50 2roz n GLN 31 N 9.00 0.00 -0.36 2.03 6.02 -1.26 -5.17 117.38 127.64 2roz n GLN 31 Ca 0.35 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.34 2roz n GLN 31 Cb 0.51 -0.49 0.00 0.00 1.02 0.00 0.00 30.24 31.27 2roz n GLN 31 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34