#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 0.06 2.12 4.71 -1.26 -4.31 120.64 121.96 1zll n GLU 2 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.16 57.00 1zll n GLU 2 Cb 0.00 -1.30 -0.05 0.00 -1.01 0.00 0.00 31.44 29.07 1zll n GLU 2 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 1zll h LYS 3 N 0.00 0.49 0.03 3.49 1.57 -2.05 -2.70 116.57 117.40 1zll h LYS 3 Ca 0.00 -0.51 -0.00 0.00 -1.87 0.00 0.00 60.65 58.27 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 -0.02 0.28 -0.57 0.00 0.00 179.45 180.30 1zll h VAL 4 N 0.29 1.12 -0.53 0.50 2.07 -2.00 -2.72 116.25 114.97 1zll h VAL 4 Ca -0.08 -1.71 0.15 0.00 0.82 0.00 0.00 66.70 65.88 1zll h VAL 4 Cb 1.57 2.07 -0.02 0.00 -1.52 0.00 0.00 31.29 33.39 1zll h VAL 4 CO 0.17 0.36 0.52 1.56 0.02 0.00 0.00 177.57 180.20 1zll h GLN 5 N -0.95 0.00 0.09 1.57 4.20 -1.91 0.50 115.11 118.60 1zll h GLN 5 Ca -0.00 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.45 1zll h GLN 5 Cb 0.62 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.41 1zll h GLN 5 CO 0.01 0.00 -1.14 -0.92 -0.67 0.00 0.00 178.83 176.11 1zll h TYR 6 N 0.00 0.52 0.06 2.96 3.20 -1.48 -2.50 116.97 119.73 1zll h TYR 6 Ca 0.25 -0.35 -0.12 0.00 3.14 0.00 0.00 58.73 61.66 1zll h TYR 6 Cb 1.30 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.54 1zll h TYR 6 CO 0.00 1.23 -0.55 -0.07 -1.64 0.00 0.00 178.16 177.13 1zll h LEU 7 N 0.12 0.20 -1.16 2.82 3.38 0.15 -2.26 115.31 118.57 1zll h LEU 7 Ca -0.11 -0.92 -0.03 0.00 0.09 0.00 0.00 57.88 56.90 1zll h LEU 7 Cb 1.83 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 42.49 1zll h LEU 7 CO 0.19 1.25 0.24 0.74 0.09 0.00 0.00 178.44 180.95 1zll h THR 8 N -0.71 1.20 0.00 0.22 2.02 -0.83 -1.79 112.91 113.02 1zll h THR 8 Ca -0.11 -0.62 -0.14 0.00 0.77 0.00 0.00 66.41 66.30 1zll h THR 8 Cb 1.33 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 68.23 1zll h THR 8 CO 0.04 0.25 -0.68 -0.09 0.37 0.00 0.00 175.52 175.41 1zll h ARG 9 N 0.82 0.00 -0.06 6.66 2.43 -1.52 -2.48 114.38 120.23 1zll h ARG 9 Ca 0.20 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.27 1zll h ARG 9 Cb 0.14 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 1zll h ARG 9 CO -0.02 0.68 -0.40 0.66 -1.51 0.00 0.00 179.97 179.38 1zll h SER 10 N 0.00 0.14 0.10 -3.80 4.64 -0.71 -2.44 113.55 111.48 1zll h SER 10 Ca -0.01 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.25 1zll h SER 10 Cb 1.24 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1zll h SER 10 CO 0.09 0.53 -0.05 0.00 -0.87 0.00 0.00 176.83 176.53 1zll h ALA 11 N 1.48 -0.17 -0.46 5.18 0.00 -1.17 -2.42 119.26 121.69 1zll h ALA 11 Ca 0.01 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.02 1zll h ALA 11 Cb 0.76 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1zll h ALA 11 CO 0.06 -0.16 0.72 0.82 0.00 0.00 0.00 179.25 180.68 1zll h ILE 12 N -0.80 0.14 0.22 0.00 2.04 -1.53 0.97 117.51 118.56 1zll h ILE 12 Ca -0.01 0.00 -0.34 0.00 1.00 0.00 0.00 64.86 65.51 1zll h ILE 12 Cb 0.11 0.38 0.03 0.00 -0.74 0.00 0.00 36.82 36.60 1zll h ILE 12 CO 0.02 0.00 -1.53 -0.09 0.00 0.00 0.00 178.15 176.55 1zll h ARG 13 N 0.00 0.48 -0.02 2.37 9.65 -1.45 -3.18 114.38 122.23 1zll h ARG 13 Ca 0.22 -0.81 0.00 0.00 -1.10 0.00 0.00 59.98 58.28 1zll h ARG 13 Cb 1.65 0.30 0.00 0.00 -1.39 0.00 0.00 29.97 30.53 1zll h ARG 13 CO -0.00 1.38 -0.16 2.89 2.80 0.00 0.00 179.97 186.88 1zll n ARG 14 N -3.66 1.45 -0.18 0.20 -4.01 0.18 -3.92 116.66 106.73 1zll n ARG 14 Ca -0.18 -1.00 0.07 0.00 -1.04 0.00 0.00 57.85 55.70 1zll n ARG 14 Cb 1.09 -1.48 0.16 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 0.10 2.26 1.27 2.89 0.00 0.28 -4.43 120.51 122.88 1zll n ALA 15 Ca 0.14 -1.08 0.08 0.00 0.00 0.00 0.00 53.44 52.59 1zll n ALA 15 Cb 0.42 -0.52 0.50 0.00 0.00 0.00 0.00 19.45 19.85 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 0.74 0.00 -1.64 0.00 2.88 -1.20 -2.25 113.62 112.14 1zll n SER 16 Ca 0.13 -0.74 -0.14 0.00 -1.33 0.00 0.00 58.87 56.78 1zll n SER 16 Cb 0.44 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 64.08 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 -0.91 2.85 -4.13 2.46 -2.24 -1.26 -4.97 114.28 106.07 1zll n THR 17 Ca 0.13 -2.60 -0.09 0.00 -2.27 0.00 0.00 64.05 59.22 1zll n THR 17 Cb 0.06 -0.48 -0.10 0.00 -2.10 0.00 0.00 70.33 67.71 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 -3.47 0.12 -0.45 2.28 1.01 -0.95 -5.12 121.20 114.63 1zll s ILE 18 Ca 0.51 -1.88 0.05 0.00 0.00 0.00 0.00 60.65 59.33 1zll s ILE 18 Cb 0.44 -1.94 0.18 0.00 0.01 0.00 0.00 42.46 41.15 1zll s ILE 18 CO 0.03 -0.56 0.49 -1.61 0.00 0.00 0.00 174.94 173.29 1zll s GLU 19 N -4.02 0.93 -0.03 2.79 2.02 -1.26 -5.10 118.70 114.02 1zll s GLU 19 Ca 0.21 -1.53 -0.14 0.00 0.02 0.00 0.00 54.97 53.52 1zll s GLU 19 Cb 0.07 -0.79 0.03 0.00 0.10 0.00 0.00 34.13 33.54 1zll s GLU 19 CO -0.01 -1.34 0.32 -1.64 0.02 0.00 0.00 175.26 172.61 1zll s MET 20 N 0.57 0.63 0.00 1.61 -1.94 -1.26 -5.02 119.30 113.88 1zll s MET 20 Ca 0.30 -0.08 0.00 0.00 -1.71 0.00 0.00 55.69 54.19 1zll s MET 20 Cb -0.00 0.28 0.00 0.00 2.01 0.00 0.00 34.83 37.12 1zll s MET 20 CO -0.12 -0.16 0.95 -0.35 -0.01 0.00 0.00 175.02 175.33 1zll n PRO 21 N 1.53 0.64 0.00 2.03 -0.04 -1.26 -4.84 135.00 133.06 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 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.84 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 1.18 0.00 -0.24 0.54 1.13 -1.26 -3.90 117.38 114.83 1zll n GLN 22 Ca 0.00 0.00 0.24 0.00 -1.94 0.00 0.00 57.00 55.30 1zll n GLN 22 Cb 0.32 0.00 0.43 0.00 0.11 0.00 0.00 30.24 31.10 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 6.02 -1.26 0.22 117.38 121.22 1zll n GLN 23 Ca 0.00 0.99 -0.09 0.00 -0.01 0.00 0.00 57.00 57.89 1zll n GLN 23 Cb 0.00 -1.80 0.06 0.00 1.02 0.00 0.00 30.24 29.52 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 1.43 0.72 0.37 -1.58 0.00 -1.93 -1.41 119.26 116.86 1zll h ALA 24 Ca 0.62 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1zll h ALA 24 Cb 1.66 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 1zll h ALA 24 CO -0.54 0.68 -0.36 -0.09 0.00 0.00 0.00 179.25 178.93 1zll h ARG 25 N 0.46 -0.73 0.51 0.00 2.43 0.24 0.24 114.38 117.53 1zll h ARG 25 Ca 0.02 0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1zll h ARG 25 Cb 1.05 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 1zll h ARG 25 CO 0.10 -0.49 -0.24 0.37 -1.51 0.00 0.00 179.97 178.20 1zll h GLN 26 N -0.76 -0.66 -0.96 0.20 4.15 -1.50 -2.50 115.11 113.09 1zll h GLN 26 Ca -0.03 0.04 0.15 0.00 0.77 0.00 0.00 58.65 59.59 1zll h GLN 26 Cb 0.68 0.15 -0.08 0.00 0.21 0.00 0.00 27.48 28.43 1zll h GLN 26 CO -0.06 -0.37 0.61 0.87 -1.93 0.00 0.00 178.83 177.95 1zll h LYS 27 N -0.88 0.77 0.00 1.69 1.79 -1.23 -2.66 116.57 116.05 1zll h LYS 27 Ca -0.07 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.35 1zll h LYS 27 Cb 0.60 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.07 1zll h LYS 27 CO 0.11 0.51 -0.00 -0.07 -1.08 0.00 0.00 179.45 178.92 1zll h LEU 28 N 0.79 -0.00 -0.24 2.94 3.38 -0.42 0.14 115.31 121.90 1zll h LEU 28 Ca 0.50 -0.38 0.05 0.00 0.09 0.00 0.00 57.88 58.14 1zll h LEU 28 Cb 0.71 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.42 1zll h LEU 28 CO -0.26 0.37 -0.04 1.56 0.09 0.00 0.00 178.44 180.16 1zll h GLN 29 N -0.38 0.02 0.33 1.13 1.08 -1.11 0.68 115.11 116.86 1zll h GLN 29 Ca -0.00 -0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 1zll h GLN 29 Cb 0.38 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 1zll h GLN 29 CO 0.00 0.01 -0.16 -0.97 -0.95 0.00 0.00 178.83 176.77 1zll h ASN 30 N 0.02 -0.38 -0.88 1.46 -0.73 -1.55 -2.63 115.58 110.90 1zll h ASN 30 Ca 0.11 -0.13 0.14 0.00 1.87 0.00 0.00 56.30 58.29 1zll h ASN 30 Cb 0.17 0.10 -0.07 0.00 0.27 0.00 0.00 38.32 38.79 1zll h ASN 30 CO -0.23 0.08 0.57 -0.07 -0.37 0.00 0.00 177.43 177.41 1zll h LEU 31 N -1.01 0.65 0.64 0.34 4.07 -0.69 -2.60 115.31 116.72 1zll h LEU 31 Ca -0.05 0.04 -0.03 0.00 0.08 0.00 0.00 57.88 57.92 1zll h LEU 31 Cb 0.48 -0.09 0.01 0.00 1.08 0.00 0.00 40.66 42.14 1zll h LEU 31 CO 0.07 0.34 -0.31 0.15 -1.08 0.00 0.00 178.44 177.61 1zll h PHE 32 N 0.69 -0.80 -0.77 1.13 3.57 0.37 0.18 116.94 121.32 1zll h PHE 32 Ca 0.44 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 62.01 1zll h PHE 32 Cb 0.69 0.26 -0.12 0.00 2.79 0.00 0.00 35.95 39.57 1zll h PHE 32 CO -0.00 -0.50 -0.48 0.82 -2.23 0.00 0.00 178.31 175.92 1zll h ILE 33 N -0.90 0.03 -0.98 1.41 2.04 -1.11 0.82 117.51 118.83 1zll h ILE 33 Ca -0.09 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.86 1zll h ILE 33 Cb 0.66 0.03 -0.07 0.00 -0.74 0.00 0.00 36.82 36.70 1zll h ILE 33 CO 0.14 0.00 0.63 0.78 0.00 0.00 0.00 178.15 179.70 1zll h ASN 34 N -0.14 0.95 -0.49 1.72 2.35 -1.46 0.19 115.58 118.70 1zll h ASN 34 Ca 0.20 0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.94 1zll h ASN 34 Cb 0.53 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.70 1zll h ASN 34 CO -0.81 0.56 0.21 0.15 -1.65 0.00 0.00 177.43 175.89 1zll h PHE 35 N 1.05 0.78 0.18 1.19 3.57 0.25 -2.70 116.94 121.26 1zll h PHE 35 Ca 0.45 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.90 1zll h PHE 35 Cb 0.33 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.83 1zll h PHE 35 CO -0.00 0.61 -0.08 0.00 -2.23 0.00 0.00 178.31 176.60 1zll h LEU 37 N -0.35 -0.54 -0.97 0.00 3.38 -1.04 0.27 115.31 116.06 1zll h LEU 37 Ca -0.02 0.15 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 1zll h LEU 37 Cb 0.27 0.33 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1zll h LEU 37 CO 0.04 -0.19 -0.06 0.40 0.09 0.00 0.00 178.44 178.73 1zll h ILE 38 N -0.04 1.24 0.02 1.22 2.04 -1.31 -2.01 117.51 118.66 1zll h ILE 38 Ca 0.22 -1.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.06 1zll h ILE 38 Cb 0.39 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1zll h ILE 38 CO -0.50 0.35 -0.01 0.25 0.00 0.00 0.00 178.15 178.24 1zll h LEU 39 N 0.63 -0.02 -1.60 1.44 5.85 0.16 -2.18 115.31 119.59 1zll h LEU 39 Ca 0.12 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.63 1zll h LEU 39 Cb 0.48 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 1zll h LEU 39 CO 0.02 0.20 0.28 0.40 -0.34 0.00 0.00 178.44 179.00 1zll h ILE 40 N -0.24 1.10 0.20 4.05 2.04 -0.45 -1.63 117.51 122.58 1zll h ILE 40 Ca -0.00 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 1zll h ILE 40 Cb 0.23 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1zll h ILE 40 CO 0.00 0.10 -0.10 0.00 0.00 0.00 0.00 178.15 178.16 1zll h LEU 42 N -0.33 0.00 0.26 0.00 4.07 -1.34 -1.53 115.31 116.44 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 0.21 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.95 1zll h LEU 42 CO 0.05 0.00 -0.12 -0.07 -1.08 0.00 0.00 178.44 177.21 1zll h LEU 43 N 0.00 -0.29 -0.98 1.67 3.38 -0.96 -2.30 115.31 115.82 1zll h LEU 43 Ca 0.47 0.01 0.30 0.00 0.09 0.00 0.00 57.88 58.76 1zll h LEU 43 Cb 2.24 0.08 -0.15 0.00 0.09 0.00 0.00 40.66 42.91 1zll h LEU 43 CO -0.00 -0.11 0.52 -0.07 0.09 0.00 0.00 178.44 178.86 1zll h LEU 44 N -0.53 0.44 -0.52 1.67 3.38 -0.49 0.55 115.31 119.81 1zll h LEU 44 Ca -0.04 0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1zll h LEU 44 Cb 0.26 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1zll h LEU 44 CO 0.06 -0.13 0.30 0.40 0.09 0.00 0.00 178.44 179.16 1zll h ILE 45 N 0.32 1.17 0.39 1.22 2.04 -1.39 -1.73 117.51 119.53 1zll h ILE 45 Ca 0.70 -0.42 -0.00 0.00 1.00 0.00 0.00 64.86 66.14 1zll h ILE 45 Cb 1.56 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 38.11 1zll h ILE 45 CO -0.61 0.18 -0.44 0.00 0.00 0.00 0.00 178.15 177.28 1zll h ILE 47 N -0.86 0.44 0.20 0.00 2.04 -1.22 -0.75 117.51 117.36 1zll h ILE 47 Ca -0.03 -0.03 0.01 0.00 1.00 0.00 0.00 64.86 65.80 1zll h ILE 47 Cb 0.77 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 1zll h ILE 47 CO -0.09 0.02 -0.22 0.40 0.00 0.00 0.00 178.15 178.26 1zll h ILE 48 N 0.09 0.53 -0.65 -0.67 2.04 -0.71 -0.68 117.51 117.46 1zll h ILE 48 Ca 0.33 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.38 1zll h ILE 48 Cb 0.54 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 1zll h ILE 48 CO -0.58 0.00 0.62 0.58 0.00 0.00 0.00 178.15 178.77 1zll h VAL 49 N -0.45 0.36 0.11 1.67 2.07 0.35 0.18 116.25 120.54 1zll h VAL 49 Ca 0.00 0.00 -0.27 0.00 0.82 0.00 0.00 66.70 67.25 1zll h VAL 49 Cb 0.43 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1zll h VAL 49 CO -0.06 0.00 -1.25 0.24 0.02 0.00 0.00 177.57 176.51 1zll h MET 50 N 0.00 0.24 -0.04 1.57 2.86 -0.37 -3.28 114.93 115.91 1zll h MET 50 Ca 0.31 -0.41 -0.12 0.00 -2.06 0.00 0.00 59.70 57.42 1zll h MET 50 Cb 1.55 0.15 -0.01 0.00 0.06 0.00 0.00 31.60 33.35 1zll h MET 50 CO -0.00 1.18 -0.52 -0.07 1.06 0.00 0.00 176.91 178.55 1zll h LEU 51 N 0.07 0.12 0.00 1.22 3.38 -0.08 -3.52 115.31 116.50 1zll h LEU 51 Ca -0.13 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1zll h LEU 51 Cb 1.96 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.67 1zll h LEU 51 CO 0.19 0.62 0.00 0.18 0.09 0.00 0.00 178.44 179.52