#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 -4.32 120.64 119.38 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 -1.38 -0.08 0.00 0.27 0.00 0.00 31.44 30.25 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 0.42 0.02 5.31 1.57 -2.05 -2.74 116.57 119.09 1zll h LYS 3 Ca 0.00 -0.51 -0.00 0.00 -1.87 0.00 0.00 60.65 58.26 1zll h LYS 3 Cb 0.00 0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1zll h LYS 3 CO 0.00 1.18 -0.01 0.28 -0.57 0.00 0.00 179.45 180.33 1zll h VAL 4 N 0.20 1.10 -0.56 0.50 2.07 -2.00 -2.67 116.25 114.90 1zll h VAL 4 Ca -0.11 -1.73 0.16 0.00 0.82 0.00 0.00 66.70 65.84 1zll h VAL 4 Cb 1.73 2.04 -0.02 0.00 -1.52 0.00 0.00 31.29 33.52 1zll h VAL 4 CO 0.19 0.36 0.55 1.56 0.02 0.00 0.00 177.57 180.25 1zll h GLN 5 N -0.97 0.00 0.15 1.57 4.20 -1.91 0.39 115.11 118.55 1zll h GLN 5 Ca -0.00 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.41 1zll h GLN 5 Cb 0.61 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.41 1zll h GLN 5 CO 0.01 0.00 -1.29 -0.92 -0.67 0.00 0.00 178.83 175.96 1zll h TYR 6 N 0.00 0.78 0.02 2.96 3.20 -1.49 -2.47 116.97 119.98 1zll h TYR 6 Ca 0.26 -0.54 -0.06 0.00 3.14 0.00 0.00 58.73 61.54 1zll h TYR 6 Cb 1.36 -0.05 0.01 0.00 1.54 0.00 0.00 36.73 39.59 1zll h TYR 6 CO 0.00 1.40 -0.24 -0.07 -1.64 0.00 0.00 178.16 177.61 1zll h LEU 7 N 0.16 0.18 -0.93 2.82 3.38 -0.01 -2.08 115.31 118.83 1zll h LEU 7 Ca -0.18 -0.86 -0.03 0.00 0.09 0.00 0.00 57.88 56.91 1zll h LEU 7 Cb 1.98 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 42.63 1zll h LEU 7 CO 0.23 1.02 0.41 0.71 0.09 0.00 0.00 178.44 180.90 1zll h THR 8 N -0.64 1.25 -0.01 0.22 1.35 -0.84 -1.78 112.91 112.46 1zll h THR 8 Ca -0.04 -0.69 -0.11 0.00 -0.55 0.00 0.00 66.41 65.03 1zll h THR 8 Cb 1.07 0.18 -0.01 0.00 -1.73 0.00 0.00 68.15 67.66 1zll h THR 8 CO 0.05 0.30 -0.50 -0.09 -0.25 0.00 0.00 175.52 175.03 1zll h ARG 9 N 1.17 0.03 -0.06 4.72 2.43 -1.51 -2.42 114.38 118.73 1zll h ARG 9 Ca 0.29 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.35 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 0.52 -0.40 0.66 -1.51 0.00 0.00 179.97 179.20 1zll h SER 10 N 0.02 0.13 0.09 -3.80 4.64 -0.60 -2.44 113.55 111.59 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 0.89 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 1zll h SER 10 CO 0.07 0.52 -0.04 0.00 -0.87 0.00 0.00 176.83 176.51 1zll h ALA 11 N 1.49 -0.16 -0.58 5.18 0.00 -1.10 -2.42 119.26 121.67 1zll h ALA 11 Ca 0.01 -0.03 0.17 0.00 0.00 0.00 0.00 54.91 55.06 1zll h ALA 11 Cb 0.76 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1zll h ALA 11 CO 0.06 -0.15 0.82 0.82 0.00 0.00 0.00 179.25 180.80 1zll h ILE 12 N -0.69 0.13 0.23 0.00 2.04 -1.53 0.94 117.51 118.62 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 0.09 0.30 0.03 0.00 -0.74 0.00 0.00 36.82 36.50 1zll h ILE 12 CO 0.02 0.00 -1.55 -0.09 0.00 0.00 0.00 178.15 176.53 1zll h ARG 13 N 0.00 0.48 -0.02 2.37 9.65 -1.45 -3.17 114.38 122.24 1zll h ARG 13 Ca 0.27 -0.83 0.00 0.00 -1.10 0.00 0.00 59.98 58.33 1zll h ARG 13 Cb 1.92 0.31 0.00 0.00 -1.39 0.00 0.00 29.97 30.80 1zll h ARG 13 CO -0.00 1.39 -0.14 -2.13 2.80 0.00 0.00 179.97 181.89 1zll n ARG 14 N -3.67 1.48 -0.16 0.20 3.00 0.20 -3.91 116.66 113.79 1zll n ARG 14 Ca -0.19 -1.00 0.07 0.00 -0.00 0.00 0.00 57.85 56.73 1zll n ARG 14 Cb 1.09 -1.48 0.15 0.00 0.00 0.00 0.00 32.46 32.23 1zll n ARG 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1zll n ALA 15 N 0.12 2.27 1.22 5.13 0.00 0.27 -4.43 120.51 125.08 1zll n ALA 15 Ca 0.15 -1.04 0.08 0.00 0.00 0.00 0.00 53.44 52.62 1zll n ALA 15 Cb 0.41 -0.50 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 0.43 0.00 0.00 0.00 177.50 177.93 1zll n SER 16 N 0.70 0.00 -1.63 0.00 7.64 -1.20 -2.23 113.62 116.90 1zll n SER 16 Ca 0.12 -0.72 -0.14 0.00 1.01 0.00 0.00 58.87 59.14 1zll n SER 16 Cb 0.43 0.00 0.18 0.00 -1.01 0.00 0.00 64.21 63.80 1zll n SER 16 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1zll n THR 17 N -0.91 2.84 -4.13 0.44 -2.24 -1.26 -4.97 114.28 104.05 1zll n THR 17 Ca 0.12 -2.60 -0.09 0.00 -2.27 0.00 0.00 64.05 59.21 1zll n THR 17 Cb 0.05 -0.47 -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 -3.46 0.13 -0.44 2.28 1.01 -0.95 -5.12 121.20 114.66 1zll s ILE 18 Ca 0.50 -1.87 0.05 0.00 0.00 0.00 0.00 60.65 59.33 1zll s ILE 18 Cb 0.44 -1.89 0.17 0.00 0.01 0.00 0.00 42.46 41.19 1zll s ILE 18 CO 0.03 -0.61 0.48 -1.61 0.00 0.00 0.00 174.94 173.22 1zll s GLU 19 N -4.01 0.91 -0.04 2.79 2.02 -1.26 -5.10 118.70 114.01 1zll s GLU 19 Ca 0.19 -1.53 -0.15 0.00 0.02 0.00 0.00 54.97 53.51 1zll s GLU 19 Cb 0.08 -0.83 0.03 0.00 0.10 0.00 0.00 34.13 33.50 1zll s GLU 19 CO -0.02 -1.33 0.33 -1.64 0.02 0.00 0.00 175.26 172.62 1zll s MET 20 N 0.59 0.62 0.00 1.61 -1.94 -1.26 -5.02 119.30 113.91 1zll s MET 20 Ca 0.29 -0.04 0.00 0.00 -1.71 0.00 0.00 55.69 54.22 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 0.86 -0.35 -0.01 0.00 0.00 175.02 175.24 1zll n PRO 21 N 1.60 0.61 0.00 2.03 -0.04 -1.26 -4.84 135.00 133.10 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 0.94 -0.04 0.00 0.00 175.50 176.40 1zll n GLN 22 N 1.10 0.00 -0.26 0.54 7.27 -1.26 -3.92 117.38 120.85 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 0.31 0.00 0.45 0.00 2.41 0.00 0.00 30.24 33.41 1zll n GLN 22 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1zll n GLN 23 N 0.00 -0.04 0.00 3.69 10.64 -1.26 0.22 117.38 130.63 1zll n GLN 23 Ca 0.00 1.02 -0.09 0.00 -1.83 0.00 0.00 57.00 56.10 1zll n GLN 23 Cb 0.00 -1.86 0.06 0.00 -0.86 0.00 0.00 30.24 27.58 1zll n GLN 23 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1zll h ALA 24 N 1.45 0.72 0.42 2.61 0.00 -1.93 -1.39 119.26 121.13 1zll h ALA 24 Ca 0.64 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1zll h ALA 24 Cb 1.75 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.44 1zll h ALA 24 CO -0.54 0.68 -0.37 -0.09 0.00 0.00 0.00 179.25 178.93 1zll h ARG 25 N 0.43 -0.76 0.47 0.00 2.43 0.23 0.23 114.38 117.41 1zll h ARG 25 Ca 0.01 0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1zll h ARG 25 Cb 1.07 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 1zll h ARG 25 CO 0.10 -0.51 -0.22 0.37 -1.51 0.00 0.00 179.97 178.20 1zll h GLN 26 N -0.79 -0.61 -0.90 0.20 4.15 -1.50 -2.49 115.11 113.17 1zll h GLN 26 Ca -0.04 0.04 0.13 0.00 0.77 0.00 0.00 58.65 59.56 1zll h GLN 26 Cb 0.70 0.14 -0.07 0.00 0.21 0.00 0.00 27.48 28.45 1zll h GLN 26 CO -0.04 -0.33 0.58 0.87 -1.93 0.00 0.00 178.83 177.99 1zll h LYS 27 N -0.80 0.74 -0.03 1.69 1.57 -1.22 -2.67 116.57 115.85 1zll h LYS 27 Ca -0.06 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1zll h LYS 27 Cb 0.56 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 1zll h LYS 27 CO 0.11 0.49 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.39 1zll h LEU 28 N 0.77 0.06 -0.26 2.94 3.38 -0.42 0.12 115.31 121.89 1zll h LEU 28 Ca 0.45 -0.42 0.04 0.00 0.09 0.00 0.00 57.88 58.03 1zll h LEU 28 Cb 0.62 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 1zll h LEU 28 CO -0.21 0.47 0.01 0.06 0.09 0.00 0.00 178.44 178.86 1zll h GLN 29 N -0.36 0.08 0.34 1.13 3.07 -1.11 0.65 115.11 118.92 1zll h GLN 29 Ca 0.01 -0.01 -0.02 0.00 0.09 0.00 0.00 58.65 58.72 1zll h GLN 29 Cb 0.45 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 27.99 1zll h GLN 29 CO 0.00 0.06 -0.17 -0.91 0.09 0.00 0.00 178.83 177.90 1zll h ASN 30 N 0.09 -0.39 -0.91 0.06 4.21 -1.55 -2.64 115.58 114.45 1zll h ASN 30 Ca 0.12 -0.09 0.17 0.00 1.21 0.00 0.00 56.30 57.71 1zll h ASN 30 Cb 0.15 0.10 -0.07 0.00 -1.12 0.00 0.00 38.32 37.38 1zll h ASN 30 CO -0.20 0.07 0.59 -0.07 -1.29 0.00 0.00 177.43 176.52 1zll h LEU 31 N -1.05 0.58 0.67 1.61 4.07 -0.74 -2.53 115.31 117.91 1zll h LEU 31 Ca -0.05 0.05 -0.03 0.00 0.08 0.00 0.00 57.88 57.93 1zll h LEU 31 Cb 0.46 -0.06 0.01 0.00 1.08 0.00 0.00 40.66 42.14 1zll h LEU 31 CO 0.08 0.26 -0.32 0.15 -1.08 0.00 0.00 178.44 177.53 1zll h PHE 32 N 0.60 -0.84 -0.70 1.13 3.57 0.32 0.01 116.94 121.03 1zll h PHE 32 Ca 0.47 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 62.05 1zll h PHE 32 Cb 0.90 0.28 -0.11 0.00 2.79 0.00 0.00 35.95 39.81 1zll h PHE 32 CO -0.00 -0.52 -0.47 0.82 -2.23 0.00 0.00 178.31 175.91 1zll h ILE 33 N -0.99 0.05 -0.92 1.41 2.04 -1.08 0.84 117.51 118.86 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 0.69 0.05 -0.07 0.00 -0.74 0.00 0.00 36.82 36.75 1zll h ILE 33 CO 0.15 0.00 0.59 -0.55 0.00 0.00 0.00 178.15 178.34 1zll h ASN 34 N -0.17 0.86 -0.37 1.72 7.08 -1.46 0.19 115.58 123.43 1zll h ASN 34 Ca 0.19 0.02 -0.05 0.00 -3.08 0.00 0.00 56.30 53.38 1zll h ASN 34 Cb 0.54 -0.16 -0.02 0.00 -2.08 0.00 0.00 38.32 36.60 1zll h ASN 34 CO -0.77 0.52 0.07 0.15 -2.08 0.00 0.00 177.43 175.32 1zll h PHE 35 N 0.96 0.71 0.18 4.14 3.57 0.24 -2.72 116.94 124.03 1zll h PHE 35 Ca 0.42 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.85 1zll h PHE 35 Cb 0.35 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.89 1zll h PHE 35 CO -0.00 0.63 -0.09 0.00 -2.23 0.00 0.00 178.31 176.62 1zll h LEU 37 N -0.37 -0.60 -0.98 0.00 3.38 -1.07 0.27 115.31 115.95 1zll h LEU 37 Ca -0.02 0.16 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 1zll h LEU 37 Cb 0.28 0.35 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1zll h LEU 37 CO 0.04 -0.20 0.01 0.40 0.09 0.00 0.00 178.44 178.78 1zll h ILE 38 N -0.07 1.23 -0.00 1.22 2.04 -1.32 -2.05 117.51 118.56 1zll h ILE 38 Ca 0.22 -0.95 -0.00 0.00 1.00 0.00 0.00 64.86 65.13 1zll h ILE 38 Cb 0.41 0.87 -0.00 0.00 -0.74 0.00 0.00 36.82 37.36 1zll h ILE 38 CO -0.50 0.33 0.00 0.25 0.00 0.00 0.00 178.15 178.23 1zll h LEU 39 N 0.70 0.01 -1.69 1.44 5.85 0.15 -2.16 115.31 119.62 1zll h LEU 39 Ca 0.14 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 1zll h LEU 39 Cb 0.42 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1zll h LEU 39 CO 0.02 0.20 0.14 0.40 -0.34 0.00 0.00 178.44 178.85 1zll h ILE 40 N -0.18 1.08 0.21 4.05 2.04 -0.44 -1.64 117.51 122.63 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 0.19 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1zll h ILE 40 CO -0.00 0.09 -0.10 0.00 0.00 0.00 0.00 178.15 178.14 1zll h LEU 42 N -0.39 0.00 0.27 0.00 4.07 -1.34 -1.50 115.31 116.42 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 -0.31 -1.00 1.67 3.38 -1.01 -2.28 115.31 115.77 1zll h LEU 43 Ca 0.49 0.01 0.31 0.00 0.09 0.00 0.00 57.88 58.77 1zll h LEU 43 Cb 2.26 0.08 -0.15 0.00 0.09 0.00 0.00 40.66 42.95 1zll h LEU 43 CO -0.01 -0.13 0.55 -0.07 0.09 0.00 0.00 178.44 178.88 1zll h LEU 44 N -0.55 0.51 -0.45 1.67 -0.00 -0.51 0.50 115.31 116.48 1zll h LEU 44 Ca -0.04 0.18 -0.01 0.00 -0.00 0.00 0.00 57.88 58.01 1zll h LEU 44 Cb 0.28 0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 41.04 1zll h LEU 44 CO 0.06 -0.10 0.24 0.40 -0.00 0.00 0.00 178.44 179.04 1zll h ILE 45 N 0.36 1.17 0.37 1.22 2.04 -1.39 -1.74 117.51 119.54 1zll h ILE 45 Ca 0.71 -0.45 -0.00 0.00 1.00 0.00 0.00 64.86 66.12 1zll h ILE 45 Cb 1.58 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 1zll h ILE 45 CO -0.59 0.18 -0.49 0.00 0.00 0.00 0.00 178.15 177.25 1zll h ILE 47 N -0.90 0.36 0.15 0.00 2.04 -1.25 -0.65 117.51 117.26 1zll h ILE 47 Ca -0.04 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 65.83 1zll h ILE 47 Cb 0.82 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 1zll h ILE 47 CO -0.13 0.00 -0.25 0.40 0.00 0.00 0.00 178.15 178.17 1zll h ILE 48 N 0.02 0.46 -0.65 -0.67 2.04 -0.71 -0.52 117.51 117.47 1zll h ILE 48 Ca 0.32 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.37 1zll h ILE 48 Cb 0.50 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 1zll h ILE 48 CO -0.65 0.00 0.63 0.58 0.00 0.00 0.00 178.15 178.70 1zll h VAL 49 N -0.46 0.35 0.13 1.67 2.07 0.42 0.16 116.25 120.58 1zll h VAL 49 Ca 0.02 0.00 -0.28 0.00 0.82 0.00 0.00 66.70 67.26 1zll h VAL 49 Cb 0.48 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1zll h VAL 49 CO -0.12 0.00 -1.30 -0.03 0.02 0.00 0.00 177.57 176.14 1zll h MET 50 N 0.00 0.27 -0.09 1.57 1.85 -0.34 -3.28 114.93 114.91 1zll h MET 50 Ca 0.31 -0.47 -0.11 0.00 -0.61 0.00 0.00 59.70 58.82 1zll h MET 50 Cb 1.56 0.17 -0.01 0.00 0.43 0.00 0.00 31.60 33.75 1zll h MET 50 CO -0.00 1.21 -0.45 -0.07 -0.40 0.00 0.00 176.91 177.19 1zll h LEU 51 N 0.07 0.22 0.00 3.39 3.38 -0.10 -3.52 115.31 118.76 1zll h LEU 51 Ca -0.16 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1zll h LEU 51 Cb 1.99 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.67 1zll h LEU 51 CO 0.20 0.64 0.00 0.18 0.09 0.00 0.00 178.44 179.55