#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zll n GLU 2 N 0.00 0.00 0.05 2.12 2.13 -1.26 -4.31 120.64 119.38 1zll n GLU 2 Ca 0.00 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.67 1zll n GLU 2 Cb 0.00 -1.27 -0.05 0.00 0.27 0.00 0.00 31.44 30.39 1zll n GLU 2 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1zll h LYS 3 N 0.00 0.50 0.03 5.31 1.57 -2.05 -2.73 116.57 119.20 1zll h LYS 3 Ca 0.00 -0.52 -0.00 0.00 -1.87 0.00 0.00 60.65 58.26 1zll h LYS 3 Cb 0.00 0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1zll h LYS 3 CO 0.00 1.15 -0.01 0.28 -0.57 0.00 0.00 179.45 180.30 1zll h VAL 4 N 0.29 1.19 -0.43 0.50 2.07 -2.00 -2.64 116.25 115.24 1zll h VAL 4 Ca -0.08 -1.76 0.12 0.00 0.82 0.00 0.00 66.70 65.80 1zll h VAL 4 Cb 1.56 2.20 -0.02 0.00 -1.52 0.00 0.00 31.29 33.51 1zll h VAL 4 CO 0.17 0.38 0.47 -0.61 0.02 0.00 0.00 177.57 178.00 1zll h GLN 5 N -0.95 0.00 0.21 1.57 5.75 -1.91 0.34 115.11 120.12 1zll h GLN 5 Ca -0.00 0.00 -0.32 0.00 -0.15 0.00 0.00 58.65 58.18 1zll h GLN 5 Cb 0.66 0.00 0.03 0.00 1.07 0.00 0.00 27.48 29.23 1zll h GLN 5 CO 0.01 0.00 -1.40 -0.92 -2.65 0.00 0.00 178.83 173.87 1zll h TYR 6 N 0.00 0.84 0.01 3.99 3.20 -1.48 -2.50 116.97 121.02 1zll h TYR 6 Ca 0.20 -0.61 -0.07 0.00 3.14 0.00 0.00 58.73 61.40 1zll h TYR 6 Cb 1.14 -0.04 0.01 0.00 1.54 0.00 0.00 36.73 39.38 1zll h TYR 6 CO 0.00 1.47 -0.27 -0.07 -1.64 0.00 0.00 178.16 177.65 1zll h LEU 7 N 0.13 0.22 -0.85 2.82 3.38 -0.11 -2.01 115.31 118.88 1zll h LEU 7 Ca -0.22 -0.81 -0.04 0.00 0.09 0.00 0.00 57.88 56.90 1zll h LEU 7 Cb 2.10 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 42.75 1zll h LEU 7 CO 0.25 1.01 0.31 0.71 0.09 0.00 0.00 178.44 180.81 1zll h THR 8 N -0.54 1.26 -0.03 0.22 1.35 -0.83 -1.87 112.91 112.47 1zll h THR 8 Ca -0.04 -0.80 -0.10 0.00 -0.55 0.00 0.00 66.41 64.92 1zll h THR 8 Cb 1.05 0.33 -0.01 0.00 -1.73 0.00 0.00 68.15 67.79 1zll h THR 8 CO 0.05 0.33 -0.45 -0.09 -0.25 0.00 0.00 175.52 175.11 1zll h ARG 9 N 1.12 0.06 -0.08 4.72 2.43 -1.52 -2.41 114.38 118.71 1zll h ARG 9 Ca 0.26 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.30 1zll h ARG 9 Cb 0.21 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1zll h ARG 9 CO -0.02 0.51 -0.38 0.77 -1.51 0.00 0.00 179.97 179.34 1zll h SER 10 N 0.05 0.17 0.11 -3.80 0.02 -0.57 -2.42 113.55 107.11 1zll h SER 10 Ca 0.00 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 1zll h SER 10 Cb 0.83 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.32 1zll h SER 10 CO 0.06 0.54 -0.05 0.00 -1.14 0.00 0.00 176.83 176.24 1zll h ALA 11 N 1.47 -0.19 -0.48 3.77 0.00 -1.10 -2.41 119.26 120.33 1zll h ALA 11 Ca 0.01 -0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.03 1zll h ALA 11 Cb 0.74 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1zll h ALA 11 CO 0.06 -0.18 0.73 0.82 0.00 0.00 0.00 179.25 180.68 1zll h ILE 12 N -0.78 0.14 0.24 0.00 2.04 -1.52 0.93 117.51 118.56 1zll h ILE 12 Ca -0.02 0.00 -0.34 0.00 1.00 0.00 0.00 64.86 65.50 1zll h ILE 12 Cb 0.11 0.37 0.03 0.00 -0.74 0.00 0.00 36.82 36.60 1zll h ILE 12 CO 0.03 0.00 -1.55 -0.09 0.00 0.00 0.00 178.15 176.53 1zll h ARG 13 N 0.00 0.50 -0.02 2.37 9.65 -1.45 -3.17 114.38 122.26 1zll h ARG 13 Ca 0.23 -0.86 0.00 0.00 -1.10 0.00 0.00 59.98 58.25 1zll h ARG 13 Cb 1.69 0.32 0.00 0.00 -1.39 0.00 0.00 29.97 30.59 1zll h ARG 13 CO -0.00 1.41 -0.12 0.54 2.80 0.00 0.00 179.97 184.60 1zll n ARG 14 N -3.68 1.52 -0.16 0.20 5.12 0.18 -3.91 116.66 115.94 1zll n ARG 14 Ca -0.19 -1.03 0.06 0.00 -1.93 0.00 0.00 57.85 54.77 1zll n ARG 14 Cb 1.10 -1.48 0.15 0.00 -1.16 0.00 0.00 32.46 31.07 1zll n ARG 14 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1zll n ALA 15 N 0.16 2.27 1.18 7.54 0.00 0.27 -4.43 120.51 127.50 1zll n ALA 15 Ca 0.15 -1.04 0.08 0.00 0.00 0.00 0.00 53.44 52.64 1zll n ALA 15 Cb 0.41 -0.49 0.47 0.00 0.00 0.00 0.00 19.45 19.84 1zll n ALA 15 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1zll n SER 16 N 0.69 0.00 -1.61 0.00 3.41 -1.20 -2.21 113.62 112.71 1zll n SER 16 Ca 0.12 -0.69 -0.13 0.00 -0.26 0.00 0.00 58.87 57.91 1zll n SER 16 Cb 0.42 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.55 1zll n SER 16 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1zll n THR 17 N -0.92 2.83 -4.13 6.66 -2.24 -1.26 -4.97 114.28 110.25 1zll n THR 17 Ca 0.12 -2.59 -0.09 0.00 -2.27 0.00 0.00 64.05 59.22 1zll n THR 17 Cb 0.05 -0.46 -0.10 0.00 -2.10 0.00 0.00 70.33 67.73 1zll n THR 17 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1zll s ILE 18 N -3.43 0.14 -0.43 2.28 1.01 -0.94 -5.12 121.20 114.71 1zll s ILE 18 Ca 0.50 -1.88 0.05 0.00 0.00 0.00 0.00 60.65 59.32 1zll s ILE 18 Cb 0.44 -1.86 0.17 0.00 0.01 0.00 0.00 42.46 41.22 1zll s ILE 18 CO 0.03 -0.65 0.46 -1.61 0.00 0.00 0.00 174.94 173.17 1zll s GLU 19 N -4.00 0.90 -0.03 2.79 2.02 -1.26 -5.10 118.70 114.01 1zll s GLU 19 Ca 0.18 -1.57 -0.14 0.00 0.02 0.00 0.00 54.97 53.46 1zll s GLU 19 Cb 0.08 -0.88 0.03 0.00 0.10 0.00 0.00 34.13 33.45 1zll s GLU 19 CO -0.02 -1.33 0.32 -1.64 0.02 0.00 0.00 175.26 172.60 1zll s MET 20 N 0.56 0.62 0.00 1.61 -1.94 -1.26 -5.02 119.30 113.88 1zll s MET 20 Ca 0.29 -0.07 0.00 0.00 -1.71 0.00 0.00 55.69 54.20 1zll s MET 20 Cb -0.01 0.28 0.00 0.00 2.01 0.00 0.00 34.83 37.11 1zll s MET 20 CO -0.12 -0.16 0.87 -0.35 -0.01 0.00 0.00 175.02 175.25 1zll n PRO 21 N 1.56 0.62 0.00 2.03 -0.04 -1.26 -4.84 135.00 133.07 1zll n PRO 21 Ca -0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 1zll n PRO 21 Cb 0.56 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.83 1zll n PRO 21 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1zll n GLN 22 N 1.09 0.00 -0.25 0.54 1.13 -1.26 -3.91 117.38 114.72 1zll n GLN 22 Ca 0.00 0.00 0.25 0.00 -1.94 0.00 0.00 57.00 55.31 1zll n GLN 22 Cb 0.31 0.00 0.45 0.00 0.11 0.00 0.00 30.24 31.11 1zll n GLN 22 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1zll n GLN 23 N 0.00 -0.04 -0.01 -1.09 3.00 -1.26 0.22 117.38 118.20 1zll n GLN 23 Ca 0.00 1.03 -0.09 0.00 -0.01 0.00 0.00 57.00 57.93 1zll n GLN 23 Cb 0.00 -1.87 0.06 0.00 0.00 0.00 0.00 30.24 28.43 1zll n GLN 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1zll h ALA 24 N 1.48 0.73 0.40 -1.58 0.00 -1.93 -1.38 119.26 116.97 1zll h ALA 24 Ca 0.64 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1zll h ALA 24 Cb 1.74 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.42 1zll h ALA 24 CO -0.56 0.68 -0.37 -0.09 0.00 0.00 0.00 179.25 178.91 1zll h ARG 25 N 0.46 -0.75 0.50 0.00 2.43 0.23 0.25 114.38 117.50 1zll h ARG 25 Ca 0.02 0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 1zll h ARG 25 Cb 1.04 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1zll h ARG 25 CO 0.10 -0.50 -0.24 0.37 -1.51 0.00 0.00 179.97 178.18 1zll h GLN 26 N -0.78 -0.65 -0.93 0.20 4.15 -1.50 -2.50 115.11 113.10 1zll h GLN 26 Ca -0.03 0.04 0.15 0.00 0.77 0.00 0.00 58.65 59.58 1zll h GLN 26 Cb 0.69 0.15 -0.08 0.00 0.21 0.00 0.00 27.48 28.45 1zll h GLN 26 CO -0.05 -0.37 0.59 0.87 -1.93 0.00 0.00 178.83 177.95 1zll h LYS 27 N -0.85 0.71 0.01 1.69 1.57 -1.23 -2.70 116.57 115.78 1zll h LYS 27 Ca -0.07 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1zll h LYS 27 Cb 0.59 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1zll h LYS 27 CO 0.11 0.47 -0.00 -0.07 -0.57 0.00 0.00 179.45 179.39 1zll h LEU 28 N 0.73 -0.01 -0.30 2.94 3.38 -0.38 0.13 115.31 121.81 1zll h LEU 28 Ca 0.48 -0.42 0.05 0.00 0.09 0.00 0.00 57.88 58.08 1zll h LEU 28 Cb 0.74 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.44 1zll h LEU 28 CO -0.24 0.42 -0.03 -0.61 0.09 0.00 0.00 178.44 178.07 1zll h GLN 29 N -0.44 0.05 0.30 1.13 5.75 -1.13 0.69 115.11 121.46 1zll h GLN 29 Ca -0.00 -0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.48 1zll h GLN 29 Cb 0.43 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.97 1zll h GLN 29 CO 0.00 0.03 -0.15 -0.97 -2.65 0.00 0.00 178.83 175.10 1zll h ASN 30 N 0.05 -0.35 -0.87 -0.69 -1.24 -1.55 -2.66 115.58 108.28 1zll h ASN 30 Ca 0.14 -0.15 0.13 0.00 0.71 0.00 0.00 56.30 57.14 1zll h ASN 30 Cb 0.20 0.09 -0.07 0.00 0.73 0.00 0.00 38.32 39.28 1zll h ASN 30 CO -0.27 0.13 0.56 -0.07 -1.29 0.00 0.00 177.43 176.49 1zll h LEU 31 N -1.00 0.65 0.60 0.34 3.38 -0.69 -2.61 115.31 115.97 1zll h LEU 31 Ca -0.04 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1zll h LEU 31 Cb 0.47 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.13 1zll h LEU 31 CO 0.07 0.34 -0.29 0.15 0.09 0.00 0.00 178.44 178.80 1zll h PHE 32 N 0.69 -0.75 -0.83 1.13 3.57 0.38 0.11 116.94 121.25 1zll h PHE 32 Ca 0.43 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 62.01 1zll h PHE 32 Cb 0.67 0.25 -0.12 0.00 2.79 0.00 0.00 35.95 39.54 1zll h PHE 32 CO -0.00 -0.46 -0.52 0.82 -2.23 0.00 0.00 178.31 175.92 1zll h ILE 33 N -0.84 0.02 -0.97 1.41 2.04 -1.13 0.89 117.51 118.93 1zll h ILE 33 Ca -0.08 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.88 1zll h ILE 33 Cb 0.62 0.02 -0.07 0.00 -0.74 0.00 0.00 36.82 36.64 1zll h ILE 33 CO 0.14 0.00 0.62 0.78 0.00 0.00 0.00 178.15 179.68 1zll h ASN 34 N -0.11 0.90 -0.35 1.72 2.35 -1.46 0.23 115.58 118.87 1zll h ASN 34 Ca 0.19 0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.93 1zll h ASN 34 Cb 0.51 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 1zll h ASN 34 CO -0.85 0.52 0.09 0.15 -1.65 0.00 0.00 177.43 175.69 1zll h PHE 35 N 0.99 0.65 0.12 1.19 3.57 0.26 -2.71 116.94 121.00 1zll h PHE 35 Ca 0.46 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.90 1zll h PHE 35 Cb 0.41 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.96 1zll h PHE 35 CO -0.00 0.56 -0.06 0.00 -2.23 0.00 0.00 178.31 176.58 1zll h LEU 37 N -0.36 -0.52 -0.94 0.00 3.38 -1.06 0.28 115.31 116.10 1zll h LEU 37 Ca -0.02 0.15 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 1zll h LEU 37 Cb 0.29 0.32 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1zll h LEU 37 CO 0.03 -0.18 -0.03 0.40 0.09 0.00 0.00 178.44 178.75 1zll h ILE 38 N -0.04 1.24 -0.02 1.22 2.04 -1.33 -2.00 117.51 118.62 1zll h ILE 38 Ca 0.22 -1.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.07 1zll h ILE 38 Cb 0.38 0.93 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1zll h ILE 38 CO -0.50 0.35 0.01 0.25 0.00 0.00 0.00 178.15 178.26 1zll h LEU 39 N 0.69 0.03 -1.50 1.44 5.85 0.15 -2.13 115.31 119.84 1zll h LEU 39 Ca 0.13 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1zll h LEU 39 Cb 0.47 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1zll h LEU 39 CO 0.02 0.21 0.22 0.40 -0.34 0.00 0.00 178.44 178.95 1zll h ILE 40 N -0.15 1.13 0.21 4.05 2.04 -0.43 -1.62 117.51 122.74 1zll h ILE 40 Ca 0.01 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 1zll h ILE 40 Cb 0.19 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1zll h ILE 40 CO -0.00 0.14 -0.10 0.00 0.00 0.00 0.00 178.15 178.19 1zll h LEU 42 N -0.34 0.00 0.26 0.00 4.07 -1.34 -1.36 115.31 116.61 1zll h LEU 42 Ca -0.03 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.92 1zll h LEU 42 Cb 0.22 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.96 1zll h LEU 42 CO 0.05 0.00 -0.13 -0.07 -1.08 0.00 0.00 178.44 177.21 1zll h LEU 43 N 0.00 -0.30 -1.06 1.67 3.38 -0.97 -2.26 115.31 115.77 1zll h LEU 43 Ca 0.47 0.01 0.31 0.00 0.09 0.00 0.00 57.88 58.77 1zll h LEU 43 Cb 2.19 0.08 -0.14 0.00 0.09 0.00 0.00 40.66 42.88 1zll h LEU 43 CO -0.00 -0.14 0.60 -0.07 0.09 0.00 0.00 178.44 178.92 1zll h LEU 44 N -0.51 0.52 -0.49 1.67 -0.00 -0.27 0.49 115.31 116.73 1zll h LEU 44 Ca -0.04 0.17 -0.02 0.00 -0.00 0.00 0.00 57.88 58.00 1zll h LEU 44 Cb 0.27 0.11 -0.02 0.00 -0.00 0.00 0.00 40.66 41.02 1zll h LEU 44 CO 0.06 -0.09 0.25 0.40 -0.00 0.00 0.00 178.44 179.06 1zll h ILE 45 N 0.35 1.18 0.45 1.22 2.04 -1.38 -1.78 117.51 119.60 1zll h ILE 45 Ca 0.72 -0.50 -0.01 0.00 1.00 0.00 0.00 64.86 66.06 1zll h ILE 45 Cb 1.66 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 38.33 1zll h ILE 45 CO -0.55 0.20 -0.50 0.00 0.00 0.00 0.00 178.15 177.30 1zll h ILE 47 N -0.97 0.33 0.19 0.00 2.04 -1.25 -0.57 117.51 117.27 1zll h ILE 47 Ca -0.05 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 65.80 1zll h ILE 47 Cb 0.86 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1zll h ILE 47 CO -0.09 0.01 -0.22 0.40 0.00 0.00 0.00 178.15 178.25 1zll h ILE 48 N 0.03 0.52 -0.60 -0.67 2.04 -0.71 -0.66 117.51 117.47 1zll h ILE 48 Ca 0.36 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.39 1zll h ILE 48 Cb 0.57 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 1zll h ILE 48 CO -0.69 0.00 0.60 0.58 0.00 0.00 0.00 178.15 178.64 1zll h VAL 49 N -0.45 0.35 0.11 1.67 2.07 0.47 0.16 116.25 120.63 1zll h VAL 49 Ca 0.01 0.00 -0.27 0.00 0.82 0.00 0.00 66.70 67.25 1zll h VAL 49 Cb 0.43 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1zll h VAL 49 CO -0.07 0.00 -1.28 -0.03 0.02 0.00 0.00 177.57 176.21 1zll h MET 50 N 0.00 0.24 0.00 1.57 1.85 -0.38 -3.28 114.93 114.93 1zll h MET 50 Ca 0.28 -0.41 -0.11 0.00 -0.61 0.00 0.00 59.70 58.85 1zll h MET 50 Cb 1.47 0.15 -0.02 0.00 0.43 0.00 0.00 31.60 33.64 1zll h MET 50 CO -0.00 1.17 -0.54 -0.07 -0.40 0.00 0.00 176.91 177.07 1zll h LEU 51 N 0.07 0.00 0.00 3.39 3.38 -0.11 -3.52 115.31 118.52 1zll h LEU 51 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1zll h LEU 51 Cb 1.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.71 1zll h LEU 51 CO 0.19 0.54 0.00 0.18 0.09 0.00 0.00 178.44 179.43