#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 0.08 2.12 2.13 -1.26 -4.36 120.64 119.36 1zll n GLU 2 Ca 0.00 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.66 1zll n GLU 2 Cb 0.00 -1.30 -0.09 0.00 0.27 0.00 0.00 31.44 30.32 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 0.03 5.31 1.57 -2.05 -2.75 116.57 119.11 1zll h LYS 3 Ca 0.00 -0.54 -0.00 0.00 -1.87 0.00 0.00 60.65 58.24 1zll h LYS 3 Cb 0.00 0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1zll h LYS 3 CO 0.00 1.20 -0.02 0.28 -0.57 0.00 0.00 179.45 180.34 1zll h VAL 4 N 0.20 1.06 -0.56 0.50 2.07 -2.00 -2.64 116.25 114.89 1zll h VAL 4 Ca -0.12 -1.68 0.16 0.00 0.82 0.00 0.00 66.70 65.89 1zll h VAL 4 Cb 1.75 1.96 -0.02 0.00 -1.52 0.00 0.00 31.29 33.46 1zll h VAL 4 CO 0.19 0.34 0.56 1.56 0.02 0.00 0.00 177.57 180.24 1zll h GLN 5 N -0.96 0.00 0.17 1.57 4.20 -1.91 0.36 115.11 118.54 1zll h GLN 5 Ca -0.00 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.40 1zll h GLN 5 Cb 0.60 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.40 1zll h GLN 5 CO 0.01 0.00 -1.33 -0.92 -0.67 0.00 0.00 178.83 175.92 1zll h TYR 6 N 0.00 0.87 0.00 2.96 3.20 -1.49 -2.47 116.97 120.05 1zll h TYR 6 Ca 0.27 -0.60 -0.05 0.00 3.14 0.00 0.00 58.73 61.49 1zll h TYR 6 Cb 1.38 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.60 1zll h TYR 6 CO 0.00 1.45 -0.20 -0.07 -1.64 0.00 0.00 178.16 177.70 1zll h LEU 7 N 0.18 0.17 -0.90 2.82 3.38 -0.06 -2.04 115.31 118.86 1zll h LEU 7 Ca -0.20 -0.80 -0.03 0.00 0.09 0.00 0.00 57.88 56.95 1zll h LEU 7 Cb 2.01 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 42.67 1zll h LEU 7 CO 0.24 0.94 0.42 0.71 0.09 0.00 0.00 178.44 180.84 1zll h THR 8 N -0.59 1.26 -0.01 0.22 1.35 -0.84 -1.78 112.91 112.53 1zll h THR 8 Ca -0.03 -0.70 -0.10 0.00 -0.55 0.00 0.00 66.41 65.03 1zll h THR 8 Cb 0.98 0.16 -0.01 0.00 -1.73 0.00 0.00 68.15 67.55 1zll h THR 8 CO 0.04 0.30 -0.48 -0.09 -0.25 0.00 0.00 175.52 175.04 1zll h ARG 9 N 1.19 0.02 -0.05 4.72 2.43 -1.51 -2.39 114.38 118.78 1zll h ARG 9 Ca 0.29 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.36 1zll h ARG 9 Cb 0.10 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1zll h ARG 9 CO -0.04 0.49 -0.42 0.66 -1.51 0.00 0.00 179.97 179.16 1zll h SER 10 N 0.01 0.12 0.09 -3.80 4.64 -0.57 -2.44 113.55 111.61 1zll h SER 10 Ca -0.00 -0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1zll h SER 10 Cb 0.86 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1zll h SER 10 CO 0.06 0.53 -0.05 0.00 -0.87 0.00 0.00 176.83 176.51 1zll h ALA 11 N 1.48 -0.16 -0.50 5.18 0.00 -1.09 -2.44 119.26 121.73 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 0.78 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1zll h ALA 11 CO 0.06 -0.15 0.73 0.82 0.00 0.00 0.00 179.25 180.71 1zll h ILE 12 N -0.80 0.15 0.22 0.00 2.04 -1.52 0.95 117.51 118.56 1zll h ILE 12 Ca -0.01 0.00 -0.33 0.00 1.00 0.00 0.00 64.86 65.52 1zll h ILE 12 Cb 0.10 0.38 0.03 0.00 -0.74 0.00 0.00 36.82 36.59 1zll h ILE 12 CO 0.02 0.00 -1.49 -0.09 0.00 0.00 0.00 178.15 176.59 1zll h ARG 13 N 0.00 0.47 -0.02 2.37 2.43 -1.46 -3.18 114.38 115.00 1zll h ARG 13 Ca 0.24 -0.80 0.00 0.00 -0.81 0.00 0.00 59.98 58.60 1zll h ARG 13 Cb 1.68 0.30 0.00 0.00 -0.42 0.00 0.00 29.97 31.53 1zll h ARG 13 CO -0.00 1.38 -0.15 2.89 -1.51 0.00 0.00 179.97 182.58 1zll n ARG 14 N -3.66 1.54 -0.17 0.20 1.85 0.19 -3.93 116.66 112.68 1zll n ARG 14 Ca -0.17 -1.08 0.06 0.00 -1.00 0.00 0.00 57.85 55.67 1zll n ARG 14 Cb 1.09 -1.48 0.16 0.00 -1.05 0.00 0.00 32.46 31.18 1zll n ARG 14 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1zll n ALA 15 N 0.21 2.25 1.30 2.89 0.00 0.27 -4.43 120.51 123.00 1zll n ALA 15 Ca 0.14 -1.07 0.08 0.00 0.00 0.00 0.00 53.44 52.59 1zll n ALA 15 Cb 0.43 -0.49 0.48 0.00 0.00 0.00 0.00 19.45 19.87 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 -1.57 0.00 3.41 -1.20 -2.24 113.62 112.70 1zll n SER 16 Ca 0.12 -0.79 -0.12 0.00 -0.26 0.00 0.00 58.87 57.82 1zll n SER 16 Cb 0.43 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.56 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 -0.89 2.80 -4.15 6.66 -2.24 -1.26 -4.97 114.28 110.23 1zll n THR 17 Ca 0.12 -2.58 -0.10 0.00 -2.27 0.00 0.00 64.05 59.23 1zll n THR 17 Cb 0.06 -0.43 -0.10 0.00 -2.10 0.00 0.00 70.33 67.76 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 -3.39 0.15 -0.45 2.28 1.01 -0.95 -5.12 121.20 114.73 1zll s ILE 18 Ca 0.49 -1.91 0.05 0.00 0.00 0.00 0.00 60.65 59.29 1zll s ILE 18 Cb 0.43 -1.99 0.18 0.00 0.01 0.00 0.00 42.46 41.09 1zll s ILE 18 CO 0.03 -0.52 0.50 -1.61 0.00 0.00 0.00 174.94 173.34 1zll s GLU 19 N -4.03 0.95 -0.02 2.79 2.02 -1.26 -5.10 118.70 114.05 1zll s GLU 19 Ca 0.22 -1.58 -0.14 0.00 0.02 0.00 0.00 54.97 53.50 1zll s GLU 19 Cb 0.07 -0.79 0.02 0.00 0.10 0.00 0.00 34.13 33.54 1zll s GLU 19 CO 0.01 -1.35 0.29 -1.64 0.02 0.00 0.00 175.26 172.59 1zll s MET 20 N 0.51 0.61 0.00 1.61 -1.94 -1.26 -5.02 119.30 113.81 1zll s MET 20 Ca 0.30 -0.14 0.00 0.00 -1.71 0.00 0.00 55.69 54.14 1zll s MET 20 Cb 0.01 0.27 0.00 0.00 2.01 0.00 0.00 34.83 37.12 1zll s MET 20 CO -0.12 -0.16 0.91 -0.35 -0.01 0.00 0.00 175.02 175.29 1zll n PRO 21 N 1.48 0.64 0.00 2.03 -0.04 -1.26 -4.84 135.00 133.02 1zll n PRO 21 Ca -0.21 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.25 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 0.94 -0.04 0.00 0.00 175.50 176.40 1zll n GLN 22 N 1.09 0.00 -0.26 0.54 7.27 -1.26 -3.92 117.38 120.84 1zll n GLN 22 Ca 0.00 0.00 0.25 0.00 0.07 0.00 0.00 57.00 57.32 1zll n GLN 22 Cb 0.32 0.00 0.46 0.00 2.41 0.00 0.00 30.24 33.43 1zll n GLN 22 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1zll n GLN 23 N 0.00 -0.04 -0.01 3.69 6.02 -1.26 0.21 117.38 125.99 1zll n GLN 23 Ca 0.00 1.05 -0.09 0.00 -0.01 0.00 0.00 57.00 57.95 1zll n GLN 23 Cb 0.00 -1.90 0.06 0.00 1.02 0.00 0.00 30.24 29.43 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 1.50 0.74 0.40 -1.58 0.00 -1.93 -1.38 119.26 117.00 1zll h ALA 24 Ca 0.65 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1zll h ALA 24 Cb 1.77 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.44 1zll h ALA 24 CO -0.57 0.67 -0.38 -0.09 0.00 0.00 0.00 179.25 178.88 1zll h ARG 25 N 0.48 -0.77 0.49 0.00 2.43 0.22 0.23 114.38 117.47 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 1.02 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 1zll h ARG 25 CO 0.09 -0.51 -0.24 0.37 -1.51 0.00 0.00 179.97 178.17 1zll h GLN 26 N -0.80 -0.64 -0.92 0.20 -0.00 -1.50 -2.49 115.11 108.97 1zll h GLN 26 Ca -0.03 0.04 0.14 0.00 -0.00 0.00 0.00 58.65 58.80 1zll h GLN 26 Cb 0.71 0.15 -0.07 0.00 0.00 0.00 0.00 27.48 28.26 1zll h GLN 26 CO -0.05 -0.36 0.59 0.87 0.00 0.00 0.00 178.83 179.88 1zll h LYS 27 N -0.83 0.76 -0.00 1.69 1.57 -1.22 -2.68 116.57 115.86 1zll h LYS 27 Ca -0.07 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1zll h LYS 27 Cb 0.58 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 1zll h LYS 27 CO 0.11 0.50 -0.00 -0.07 -0.57 0.00 0.00 179.45 179.42 1zll h LEU 28 N 0.78 0.01 -0.21 2.94 3.38 -0.41 0.12 115.31 121.92 1zll h LEU 28 Ca 0.46 -0.41 0.04 0.00 0.09 0.00 0.00 57.88 58.06 1zll h LEU 28 Cb 0.64 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 1zll h LEU 28 CO -0.22 0.41 -0.06 1.56 0.09 0.00 0.00 178.44 180.22 1zll h GLN 29 N -0.40 -0.02 0.38 1.13 1.08 -1.12 0.68 115.11 116.84 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 0.41 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 1zll h GLN 29 CO 0.00 -0.01 -0.18 -0.91 -0.95 0.00 0.00 178.83 176.78 1zll h ASN 30 N -0.02 -0.43 -0.89 1.46 2.35 -1.55 -2.62 115.58 113.88 1zll h ASN 30 Ca 0.10 -0.10 0.15 0.00 -0.55 0.00 0.00 56.30 55.91 1zll h ASN 30 Cb 0.18 0.11 -0.07 0.00 0.05 0.00 0.00 38.32 38.59 1zll h ASN 30 CO -0.22 0.02 0.57 -0.07 -1.65 0.00 0.00 177.43 176.08 1zll h LEU 31 N -1.04 0.63 0.63 1.61 3.38 -0.72 -2.59 115.31 117.21 1zll h LEU 31 Ca -0.05 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1zll h LEU 31 Cb 0.50 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.17 1zll h LEU 31 CO 0.08 0.31 -0.30 0.15 0.09 0.00 0.00 178.44 178.77 1zll h PHE 32 N 0.66 -0.78 -0.79 1.13 3.57 0.37 0.05 116.94 121.15 1zll h PHE 32 Ca 0.45 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 62.03 1zll h PHE 32 Cb 0.77 0.26 -0.12 0.00 2.79 0.00 0.00 35.95 39.65 1zll h PHE 32 CO -0.00 -0.49 -0.48 0.82 -2.23 0.00 0.00 178.31 175.93 1zll h ILE 33 N -0.90 0.03 -0.90 1.41 2.04 -1.10 0.89 117.51 118.99 1zll h ILE 33 Ca -0.09 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.86 1zll h ILE 33 Cb 0.65 0.03 -0.06 0.00 -0.74 0.00 0.00 36.82 36.70 1zll h ILE 33 CO 0.14 0.00 0.58 -0.55 0.00 0.00 0.00 178.15 178.32 1zll h ASN 34 N -0.12 0.84 -0.26 1.72 7.08 -1.46 0.21 115.58 123.59 1zll h ASN 34 Ca 0.20 0.02 -0.05 0.00 -3.08 0.00 0.00 56.30 53.39 1zll h ASN 34 Cb 0.53 -0.16 -0.02 0.00 -2.08 0.00 0.00 38.32 36.59 1zll h ASN 34 CO -0.83 0.51 0.00 0.15 -2.08 0.00 0.00 177.43 175.19 1zll h PHE 35 N 0.94 0.60 0.18 4.14 3.57 0.26 -2.72 116.94 123.91 1zll h PHE 35 Ca 0.40 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.83 1zll h PHE 35 Cb 0.33 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.90 1zll h PHE 35 CO -0.00 0.58 -0.09 0.00 -2.23 0.00 0.00 178.31 176.57 1zll h LEU 37 N -0.44 -0.74 -1.07 0.00 3.38 -1.09 0.28 115.31 115.63 1zll h LEU 37 Ca -0.03 0.17 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 1zll h LEU 37 Cb 0.34 0.40 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1zll h LEU 37 CO 0.04 -0.24 0.09 0.40 0.09 0.00 0.00 178.44 178.82 1zll h ILE 38 N -0.12 1.22 -0.00 1.22 2.04 -1.34 -1.98 117.51 118.54 1zll h ILE 38 Ca 0.22 -0.82 -0.00 0.00 1.00 0.00 0.00 64.86 65.26 1zll h ILE 38 Cb 0.46 0.75 -0.00 0.00 -0.74 0.00 0.00 36.82 37.29 1zll h ILE 38 CO -0.54 0.30 0.00 0.25 0.00 0.00 0.00 178.15 178.16 1zll h LEU 39 N 0.72 0.00 -1.61 1.44 5.85 0.17 -2.19 115.31 119.69 1zll h LEU 39 Ca 0.16 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1zll h LEU 39 Cb 0.31 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1zll h LEU 39 CO 0.00 0.23 0.23 0.40 -0.34 0.00 0.00 178.44 178.96 1zll h ILE 40 N -0.22 1.10 0.17 4.05 2.04 -0.43 -1.63 117.51 122.59 1zll h ILE 40 Ca 0.00 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 1zll h ILE 40 Cb 0.23 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1zll h ILE 40 CO 0.00 0.10 -0.08 0.00 0.00 0.00 0.00 178.15 178.17 1zll h LEU 42 N -0.28 0.00 0.25 0.00 4.07 -1.35 -1.47 115.31 116.53 1zll h LEU 42 Ca -0.02 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.92 1zll h LEU 42 Cb 0.17 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.92 1zll h LEU 42 CO 0.04 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 -0.97 1.67 3.38 -0.98 -2.29 115.31 115.83 1zll h LEU 43 Ca 0.53 0.01 0.30 0.00 0.09 0.00 0.00 57.88 58.81 1zll h LEU 43 Cb 2.43 0.07 -0.15 0.00 0.09 0.00 0.00 40.66 43.10 1zll h LEU 43 CO -0.01 -0.12 0.47 -0.07 0.09 0.00 0.00 178.44 178.81 1zll h LEU 44 N -0.52 0.37 -0.50 1.67 3.38 -0.48 0.53 115.31 119.75 1zll h LEU 44 Ca -0.03 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1zll h LEU 44 Cb 0.26 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1zll h LEU 44 CO 0.06 -0.14 0.31 0.40 0.09 0.00 0.00 178.44 179.16 1zll h ILE 45 N 0.29 1.14 0.35 1.22 2.04 -1.39 -1.72 117.51 119.45 1zll h ILE 45 Ca 0.68 -0.29 -0.00 0.00 1.00 0.00 0.00 64.86 66.25 1zll h ILE 45 Cb 1.51 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 38.00 1zll h ILE 45 CO -0.62 0.14 -0.45 0.00 0.00 0.00 0.00 178.15 177.22 1zll h ILE 47 N -0.84 0.44 0.26 0.00 2.04 -1.21 -0.81 117.51 117.38 1zll h ILE 47 Ca -0.03 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 1zll h ILE 47 Cb 0.77 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1zll h ILE 47 CO -0.12 0.02 -0.21 0.40 0.00 0.00 0.00 178.15 178.24 1zll h ILE 48 N 0.11 0.54 -0.69 -0.67 2.04 -0.66 -0.76 117.51 117.43 1zll h ILE 48 Ca 0.35 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.41 1zll h ILE 48 Cb 0.58 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 1zll h ILE 48 CO -0.58 0.00 0.65 0.58 0.00 0.00 0.00 178.15 178.81 1zll h VAL 49 N -0.48 0.34 0.11 1.67 2.07 0.32 0.19 116.25 120.46 1zll h VAL 49 Ca -0.01 0.00 -0.27 0.00 0.82 0.00 0.00 66.70 67.24 1zll h VAL 49 Cb 0.43 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1zll h VAL 49 CO -0.02 0.00 -1.26 -0.03 0.02 0.00 0.00 177.57 176.28 1zll h MET 50 N 0.00 0.23 -0.05 1.57 -1.53 -0.39 -3.28 114.93 111.48 1zll h MET 50 Ca 0.33 -0.40 -0.12 0.00 -3.44 0.00 0.00 59.70 56.07 1zll h MET 50 Cb 1.63 0.15 -0.01 0.00 -0.55 0.00 0.00 31.60 32.81 1zll h MET 50 CO -0.00 1.17 -0.53 -0.07 0.14 0.00 0.00 176.91 177.62 1zll h LEU 51 N 0.06 0.14 0.00 3.39 3.38 -0.06 -3.52 115.31 118.71 1zll h LEU 51 Ca -0.14 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1zll h LEU 51 Cb 1.96 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.66 1zll h LEU 51 CO 0.19 0.65 0.00 0.18 0.09 0.00 0.00 178.44 179.55