#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 0.09 2.12 2.13 -1.26 -4.35 120.64 119.37 1zll n GLU 2 Ca 0.00 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.65 1zll n GLU 2 Cb 0.00 -1.37 -0.10 0.00 0.27 0.00 0.00 31.44 30.24 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 0.43 0.04 5.31 1.57 -2.05 -2.76 116.57 119.10 1zll h LYS 3 Ca 0.00 -0.57 -0.00 0.00 -1.87 0.00 0.00 60.65 58.21 1zll h LYS 3 Cb 0.00 0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1zll h LYS 3 CO 0.00 1.22 -0.02 0.28 -0.57 0.00 0.00 179.45 180.36 1zll h VAL 4 N 0.19 1.05 -0.55 0.50 2.07 -2.00 -2.73 116.25 114.78 1zll h VAL 4 Ca -0.13 -1.65 0.16 0.00 0.82 0.00 0.00 66.70 65.90 1zll h VAL 4 Cb 1.80 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 33.49 1zll h VAL 4 CO 0.20 0.34 0.56 1.56 0.02 0.00 0.00 177.57 180.24 1zll h GLN 5 N -0.95 0.00 0.10 1.57 4.20 -1.91 0.53 115.11 118.64 1zll h GLN 5 Ca -0.01 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.45 1zll h GLN 5 Cb 0.59 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.37 1zll h GLN 5 CO 0.01 0.00 -1.16 -0.92 -0.67 0.00 0.00 178.83 176.09 1zll h TYR 6 N 0.00 0.48 0.07 2.96 3.20 -1.49 -2.51 116.97 119.68 1zll h TYR 6 Ca 0.26 -0.33 -0.13 0.00 3.14 0.00 0.00 58.73 61.67 1zll h TYR 6 Cb 1.37 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.62 1zll h TYR 6 CO 0.00 1.23 -0.64 -0.07 -1.64 0.00 0.00 178.16 177.04 1zll h LEU 7 N 0.10 0.22 -1.10 2.82 3.38 0.22 -2.26 115.31 118.68 1zll h LEU 7 Ca -0.11 -0.90 -0.03 0.00 0.09 0.00 0.00 57.88 56.92 1zll h LEU 7 Cb 1.87 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 42.53 1zll h LEU 7 CO 0.19 1.29 0.23 0.74 0.09 0.00 0.00 178.44 180.98 1zll h THR 8 N -0.68 1.21 -0.00 0.22 2.02 -0.83 -1.85 112.91 113.00 1zll h THR 8 Ca -0.14 -0.68 -0.14 0.00 0.77 0.00 0.00 66.41 66.22 1zll h THR 8 Cb 1.37 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 68.27 1zll h THR 8 CO 0.03 0.27 -0.67 -0.09 0.37 0.00 0.00 175.52 175.43 1zll h ARG 9 N 0.86 0.01 -0.10 6.66 2.43 -1.53 -2.46 114.38 120.26 1zll h ARG 9 Ca 0.20 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.27 1zll h ARG 9 Cb 0.18 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1zll h ARG 9 CO -0.02 0.68 -0.35 0.77 -1.51 0.00 0.00 179.97 179.54 1zll h SER 10 N 0.01 0.20 0.13 -3.80 0.02 -0.72 -2.44 113.55 106.94 1zll h SER 10 Ca -0.01 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 1zll h SER 10 Cb 1.19 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.67 1zll h SER 10 CO 0.09 0.54 -0.06 0.00 -1.14 0.00 0.00 176.83 176.25 1zll h ALA 11 N 1.48 -0.21 -0.39 3.77 0.00 -1.17 -2.40 119.26 120.34 1zll h ALA 11 Ca 0.02 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.01 1zll h ALA 11 Cb 0.70 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1zll h ALA 11 CO 0.05 -0.20 0.69 0.82 0.00 0.00 0.00 179.25 180.62 1zll h ILE 12 N -0.82 0.13 0.22 0.00 2.04 -1.53 0.98 117.51 118.54 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 0.13 0.40 0.03 0.00 -0.74 0.00 0.00 36.82 36.63 1zll h ILE 12 CO 0.03 0.00 -1.57 -0.09 0.00 0.00 0.00 178.15 176.52 1zll h ARG 13 N 0.00 0.47 -0.01 2.37 1.12 -1.45 -3.18 114.38 113.69 1zll h ARG 13 Ca 0.19 -0.80 0.00 0.00 -1.11 0.00 0.00 59.98 58.25 1zll h ARG 13 Cb 1.57 0.30 0.00 0.00 -0.01 0.00 0.00 29.97 31.82 1zll h ARG 13 CO -0.00 1.38 -0.17 2.89 -3.11 0.00 0.00 179.97 180.96 1zll n ARG 14 N -3.65 1.40 -0.18 0.20 -4.01 0.17 -3.92 116.66 106.68 1zll n ARG 14 Ca -0.19 -0.95 0.07 0.00 -1.04 0.00 0.00 57.85 55.73 1zll n ARG 14 Cb 1.09 -1.48 0.17 0.00 -3.04 0.00 0.00 32.46 29.20 1zll n ARG 14 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1zll n ALA 15 N 0.03 2.26 1.26 2.89 0.00 0.28 -4.43 120.51 122.82 1zll n ALA 15 Ca 0.14 -1.08 0.08 0.00 0.00 0.00 0.00 53.44 52.58 1zll n ALA 15 Cb 0.41 -0.52 0.47 0.00 0.00 0.00 0.00 19.45 19.80 1zll n ALA 15 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1zll n SER 16 N 0.75 0.00 -1.54 0.00 2.88 -1.20 -2.23 113.62 112.28 1zll n SER 16 Ca 0.13 -0.77 -0.12 0.00 -1.33 0.00 0.00 58.87 56.78 1zll n SER 16 Cb 0.45 0.00 0.19 0.00 -0.75 0.00 0.00 64.21 64.09 1zll n SER 16 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1zll n THR 17 N -0.89 2.79 -4.14 2.46 -2.24 -1.26 -4.97 114.28 106.02 1zll n THR 17 Ca 0.12 -2.57 -0.09 0.00 -2.27 0.00 0.00 64.05 59.24 1zll n THR 17 Cb 0.05 -0.41 -0.10 0.00 -2.10 0.00 0.00 70.33 67.77 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 -3.36 0.19 -0.43 2.28 1.01 -0.95 -5.12 121.20 114.82 1zll s ILE 18 Ca 0.49 -1.89 0.05 0.00 0.00 0.00 0.00 60.65 59.30 1zll s ILE 18 Cb 0.43 -1.89 0.17 0.00 0.01 0.00 0.00 42.46 41.18 1zll s ILE 18 CO 0.03 -0.62 0.46 -1.61 0.00 0.00 0.00 174.94 173.19 1zll s GLU 19 N -4.00 0.89 -0.04 2.79 2.02 -1.26 -5.10 118.70 113.99 1zll s GLU 19 Ca 0.19 -1.52 -0.15 0.00 0.02 0.00 0.00 54.97 53.51 1zll s GLU 19 Cb 0.07 -0.86 0.03 0.00 0.10 0.00 0.00 34.13 33.47 1zll s GLU 19 CO -0.02 -1.33 0.33 -1.64 0.02 0.00 0.00 175.26 172.63 1zll s MET 20 N 0.62 0.63 0.00 1.61 -1.94 -1.26 -5.02 119.30 113.94 1zll s MET 20 Ca 0.28 -0.02 0.00 0.00 -1.71 0.00 0.00 55.69 54.24 1zll s MET 20 Cb -0.02 0.28 0.00 0.00 2.01 0.00 0.00 34.83 37.10 1zll s MET 20 CO -0.11 -0.16 0.91 -0.35 -0.01 0.00 0.00 175.02 175.30 1zll n PRO 21 N 1.61 0.61 0.00 2.03 -0.04 -1.26 -4.84 135.00 133.12 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 -1.20 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 0.94 -0.04 0.00 0.00 175.50 176.40 1zll n GLN 22 N 1.19 0.00 -0.29 0.54 -0.06 -1.26 -3.90 117.38 113.60 1zll n GLN 22 Ca 0.00 0.00 0.28 0.00 -2.00 0.00 0.00 57.00 55.28 1zll n GLN 22 Cb 0.30 0.00 0.50 0.00 -4.06 0.00 0.00 30.24 26.98 1zll n GLN 22 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 1zll n GLN 23 N 0.00 -0.04 -0.00 3.69 6.02 -1.26 0.21 117.38 125.99 1zll n GLN 23 Ca 0.00 1.10 -0.09 0.00 -0.01 0.00 0.00 57.00 58.00 1zll n GLN 23 Cb 0.00 -2.02 0.06 0.00 1.02 0.00 0.00 30.24 29.30 1zll n GLN 23 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1zll h ALA 24 N 1.55 0.73 0.42 -1.58 0.00 -1.93 -1.40 119.26 117.04 1zll h ALA 24 Ca 0.70 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1zll h ALA 24 Cb 1.96 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.64 1zll h ALA 24 CO -0.57 0.68 -0.38 -0.09 0.00 0.00 0.00 179.25 178.89 1zll h ARG 25 N 0.45 -0.78 0.52 0.00 9.65 0.22 0.23 114.38 124.66 1zll h ARG 25 Ca 0.02 0.05 -0.03 0.00 -1.10 0.00 0.00 59.98 58.93 1zll h ARG 25 Cb 1.04 0.18 0.01 0.00 -1.39 0.00 0.00 29.97 29.81 1zll h ARG 25 CO 0.10 -0.52 -0.25 1.96 2.80 0.00 0.00 179.97 184.06 1zll h GLN 26 N -0.81 -0.67 -0.91 0.20 4.20 -1.50 -2.48 115.11 113.13 1zll h GLN 26 Ca -0.04 0.05 0.14 0.00 0.06 0.00 0.00 58.65 58.86 1zll h GLN 26 Cb 0.71 0.15 -0.07 0.00 0.30 0.00 0.00 27.48 28.57 1zll h GLN 26 CO -0.04 -0.38 0.58 -0.22 -0.67 0.00 0.00 178.83 178.10 1zll h LYS 27 N -0.85 0.71 -0.01 1.46 1.63 -1.23 -2.67 116.57 115.60 1zll h LYS 27 Ca -0.07 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.68 1zll h LYS 27 Cb 0.60 -0.16 -0.00 0.00 -0.60 0.00 0.00 32.23 32.07 1zll h LYS 27 CO 0.12 0.47 -0.01 -0.07 -3.45 0.00 0.00 179.45 176.51 1zll h LEU 28 N 0.73 0.02 -0.21 5.20 3.38 -0.42 0.11 115.31 124.12 1zll h LEU 28 Ca 0.46 -0.44 0.04 0.00 0.09 0.00 0.00 57.88 58.03 1zll h LEU 28 Cb 0.71 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 1zll h LEU 28 CO -0.22 0.46 -0.06 1.56 0.09 0.00 0.00 178.44 180.27 1zll h GLN 29 N -0.42 -0.02 0.40 1.13 4.20 -1.11 0.67 115.11 119.96 1zll h GLN 29 Ca 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1zll h GLN 29 Cb 0.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1zll h GLN 29 CO 0.00 -0.01 -0.19 -0.97 -0.67 0.00 0.00 178.83 176.99 1zll h ASN 30 N -0.02 -0.45 -0.91 1.46 -0.73 -1.56 -2.62 115.58 110.76 1zll h ASN 30 Ca 0.10 -0.07 0.17 0.00 1.87 0.00 0.00 56.30 58.37 1zll h ASN 30 Cb 0.18 0.12 -0.07 0.00 0.27 0.00 0.00 38.32 38.81 1zll h ASN 30 CO -0.23 -0.02 0.58 -0.07 -0.37 0.00 0.00 177.43 177.33 1zll h LEU 31 N -1.07 0.60 0.62 0.34 -0.00 -0.75 -2.57 115.31 112.49 1zll h LEU 31 Ca -0.05 0.05 -0.03 0.00 -0.00 0.00 0.00 57.88 57.84 1zll h LEU 31 Cb 0.50 -0.07 0.01 0.00 -0.00 0.00 0.00 40.66 41.10 1zll h LEU 31 CO 0.09 0.28 -0.30 0.15 -0.00 0.00 0.00 178.44 178.66 1zll h PHE 32 N 0.62 -0.77 -0.78 1.13 3.57 0.36 0.04 116.94 121.11 1zll h PHE 32 Ca 0.47 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 62.04 1zll h PHE 32 Cb 0.86 0.26 -0.12 0.00 2.79 0.00 0.00 35.95 39.74 1zll h PHE 32 CO -0.00 -0.48 -0.51 0.82 -2.23 0.00 0.00 178.31 175.91 1zll h ILE 33 N -0.90 0.02 -0.94 1.41 2.04 -1.09 0.88 117.51 118.94 1zll h ILE 33 Ca -0.09 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.88 1zll h ILE 33 Cb 0.64 0.02 -0.07 0.00 -0.74 0.00 0.00 36.82 36.67 1zll h ILE 33 CO 0.14 0.00 0.60 0.78 0.00 0.00 0.00 178.15 179.67 1zll h ASN 34 N -0.13 0.85 -0.28 1.72 2.35 -1.47 0.24 115.58 118.86 1zll h ASN 34 Ca 0.18 0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.91 1zll h ASN 34 Cb 0.52 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 1zll h ASN 34 CO -0.82 0.48 0.02 0.15 -1.65 0.00 0.00 177.43 175.61 1zll h PHE 35 N 0.93 0.61 0.10 1.19 3.57 0.26 -2.71 116.94 120.88 1zll h PHE 35 Ca 0.45 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.89 1zll h PHE 35 Cb 0.45 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.02 1zll h PHE 35 CO -0.00 0.57 -0.05 0.00 -2.23 0.00 0.00 178.31 176.60 1zll h LEU 37 N -0.33 -0.64 -1.11 0.00 3.38 -1.06 0.27 115.31 115.82 1zll h LEU 37 Ca -0.01 0.15 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 1zll h LEU 37 Cb 0.27 0.34 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1zll h LEU 37 CO 0.02 -0.22 0.14 0.40 0.09 0.00 0.00 178.44 178.87 1zll h ILE 38 N -0.13 1.21 -0.02 1.22 2.04 -1.35 -1.96 117.51 118.53 1zll h ILE 38 Ca 0.19 -0.75 -0.00 0.00 1.00 0.00 0.00 64.86 65.30 1zll h ILE 38 Cb 0.41 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 37.16 1zll h ILE 38 CO -0.45 0.28 0.00 0.25 0.00 0.00 0.00 178.15 178.23 1zll h LEU 39 N 0.75 0.03 -1.56 1.44 5.85 0.15 -2.20 115.31 119.77 1zll h LEU 39 Ca 0.17 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1zll h LEU 39 Cb 0.25 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 1zll h LEU 39 CO -0.00 0.25 0.21 0.40 -0.34 0.00 0.00 178.44 178.95 1zll h ILE 40 N -0.19 1.12 0.16 4.05 2.04 -0.43 -1.67 117.51 122.58 1zll h ILE 40 Ca 0.01 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 1zll h ILE 40 Cb 0.23 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1zll h ILE 40 CO 0.00 0.12 -0.08 0.00 0.00 0.00 0.00 178.15 178.20 1zll h LEU 42 N -0.26 0.00 0.26 0.00 4.07 -1.35 -1.43 115.31 116.60 1zll h LEU 42 Ca -0.02 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.93 1zll h LEU 42 Cb 0.16 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.91 1zll h LEU 42 CO 0.04 0.00 -0.12 -0.07 -1.08 0.00 0.00 178.44 177.20 1zll h LEU 43 N 0.00 -0.30 -0.99 1.67 3.38 -0.96 -2.32 115.31 115.79 1zll h LEU 43 Ca 0.51 0.01 0.30 0.00 0.09 0.00 0.00 57.88 58.79 1zll h LEU 43 Cb 2.40 0.08 -0.14 0.00 0.09 0.00 0.00 40.66 43.08 1zll h LEU 43 CO -0.01 -0.11 0.55 -0.07 0.09 0.00 0.00 178.44 178.90 1zll h LEU 44 N -0.56 0.50 -0.51 1.67 3.38 -0.47 0.53 115.31 119.86 1zll h LEU 44 Ca -0.04 0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1zll h LEU 44 Cb 0.27 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1zll h LEU 44 CO 0.06 -0.10 0.27 0.40 0.09 0.00 0.00 178.44 179.16 1zll h ILE 45 N 0.36 1.18 0.46 1.22 2.04 -1.39 -1.74 117.51 119.63 1zll h ILE 45 Ca 0.71 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 66.10 1zll h ILE 45 Cb 1.56 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 38.17 1zll h ILE 45 CO -0.59 0.19 -0.49 0.00 0.00 0.00 0.00 178.15 177.26 1zll h ILE 47 N -0.96 0.33 0.19 0.00 2.04 -1.25 -0.61 117.51 117.25 1zll h ILE 47 Ca -0.05 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 65.81 1zll h ILE 47 Cb 0.85 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 1zll h ILE 47 CO -0.08 0.00 -0.24 0.40 0.00 0.00 0.00 178.15 178.24 1zll h ILE 48 N 0.02 0.48 -0.68 -0.67 2.04 -0.72 -0.62 117.51 117.36 1zll h ILE 48 Ca 0.34 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.40 1zll h ILE 48 Cb 0.54 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 1zll h ILE 48 CO -0.68 0.00 0.64 0.58 0.00 0.00 0.00 178.15 178.69 1zll h VAL 49 N -0.48 0.35 0.10 1.67 2.07 0.44 0.20 116.25 120.60 1zll h VAL 49 Ca 0.01 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 67.27 1zll h VAL 49 Cb 0.47 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1zll h VAL 49 CO -0.09 0.00 -1.22 0.24 0.02 0.00 0.00 177.57 176.52 1zll h MET 50 N 0.00 0.21 -0.03 1.57 2.86 -0.35 -3.28 114.93 115.91 1zll h MET 50 Ca 0.33 -0.36 -0.13 0.00 -2.06 0.00 0.00 59.70 57.48 1zll h MET 50 Cb 1.61 0.13 -0.02 0.00 0.06 0.00 0.00 31.60 33.39 1zll h MET 50 CO -0.00 1.16 -0.58 -0.07 1.06 0.00 0.00 176.91 178.47 1zll h LEU 51 N 0.06 0.10 0.00 1.22 3.38 -0.04 -3.52 115.31 116.51 1zll h LEU 51 Ca -0.12 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1zll h LEU 51 Cb 1.93 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.65 1zll h LEU 51 CO 0.18 0.66 0.00 0.18 0.09 0.00 0.00 178.44 179.56