#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 4.07 -1.26 -4.34 120.64 121.31 1zll n GLU 2 Ca 0.00 0.00 -0.16 0.00 -0.06 0.00 0.00 57.16 56.94 1zll n GLU 2 Cb 0.00 -1.31 -0.09 0.00 -0.06 0.00 0.00 31.44 29.98 1zll n GLU 2 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 1zll h LYS 3 N 0.00 0.45 0.04 5.31 1.57 -2.05 -2.74 116.57 119.15 1zll h LYS 3 Ca 0.00 -0.56 -0.00 0.00 -1.87 0.00 0.00 60.65 58.22 1zll h LYS 3 Cb 0.00 0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1zll h LYS 3 CO 0.00 1.21 -0.02 0.28 -0.57 0.00 0.00 179.45 180.35 1zll h VAL 4 N 0.22 1.10 -0.54 0.50 2.07 -2.00 -2.72 116.25 114.88 1zll h VAL 4 Ca -0.12 -1.68 0.16 0.00 0.82 0.00 0.00 66.70 65.88 1zll h VAL 4 Cb 1.75 2.03 -0.02 0.00 -1.52 0.00 0.00 31.29 33.52 1zll h VAL 4 CO 0.19 0.35 0.52 -0.61 0.02 0.00 0.00 177.57 178.05 1zll h GLN 5 N -0.95 0.00 0.08 1.57 5.75 -1.91 0.49 115.11 120.14 1zll h GLN 5 Ca -0.01 0.00 -0.25 0.00 -0.15 0.00 0.00 58.65 58.24 1zll h GLN 5 Cb 0.61 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.17 1zll h GLN 5 CO 0.01 0.00 -1.12 -0.92 -2.65 0.00 0.00 178.83 174.14 1zll h TYR 6 N 0.00 0.53 0.07 3.99 3.20 -1.49 -2.49 116.97 120.78 1zll h TYR 6 Ca 0.26 -0.35 -0.12 0.00 3.14 0.00 0.00 58.73 61.66 1zll h TYR 6 Cb 1.30 -0.04 0.01 0.00 1.54 0.00 0.00 36.73 39.54 1zll h TYR 6 CO 0.00 1.22 -0.57 -0.07 -1.64 0.00 0.00 178.16 177.11 1zll h LEU 7 N 0.13 0.22 -1.10 2.82 3.38 0.14 -2.26 115.31 118.65 1zll h LEU 7 Ca -0.11 -0.93 -0.04 0.00 0.09 0.00 0.00 57.88 56.90 1zll h LEU 7 Cb 1.81 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 42.47 1zll h LEU 7 CO 0.19 1.26 0.23 0.74 0.09 0.00 0.00 178.44 180.94 1zll h THR 8 N -0.69 1.21 0.00 0.22 2.02 -0.83 -1.81 112.91 113.04 1zll h THR 8 Ca -0.12 -0.68 -0.14 0.00 0.77 0.00 0.00 66.41 66.24 1zll h THR 8 Cb 1.35 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 68.26 1zll h THR 8 CO 0.05 0.27 -0.65 -0.09 0.37 0.00 0.00 175.52 175.47 1zll h ARG 9 N 0.85 0.00 -0.07 6.66 1.12 -1.52 -2.46 114.38 118.96 1zll h ARG 9 Ca 0.20 0.00 -0.10 0.00 -1.11 0.00 0.00 59.98 58.97 1zll h ARG 9 Cb 0.18 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.13 1zll h ARG 9 CO -0.02 0.65 -0.40 1.03 -3.11 0.00 0.00 179.97 178.12 1zll h SER 10 N 0.00 0.16 0.12 -3.80 0.87 -0.72 -2.46 113.55 107.72 1zll h SER 10 Ca -0.01 -0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.48 1zll h SER 10 Cb 1.17 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 1zll h SER 10 CO 0.08 0.55 -0.06 0.00 -0.53 0.00 0.00 176.83 176.88 1zll h ALA 11 N 1.46 -0.19 -0.36 6.23 0.00 -1.17 -2.41 119.26 122.82 1zll h ALA 11 Ca 0.01 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 54.99 1zll h ALA 11 Cb 0.77 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1zll h ALA 11 CO 0.06 -0.18 0.67 0.82 0.00 0.00 0.00 179.25 180.62 1zll h ILE 12 N -0.82 0.12 0.22 0.00 2.04 -1.53 1.00 117.51 118.54 1zll h ILE 12 Ca -0.02 0.00 -0.34 0.00 1.00 0.00 0.00 64.86 65.51 1zll h ILE 12 Cb 0.12 0.41 0.02 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 0.00 178.15 176.51 1zll h ARG 13 N 0.00 0.46 -0.01 2.37 9.65 -1.45 -3.18 114.38 122.21 1zll h ARG 13 Ca 0.17 -0.78 0.00 0.00 -1.10 0.00 0.00 59.98 58.27 1zll h ARG 13 Cb 1.51 0.29 0.00 0.00 -1.39 0.00 0.00 29.97 30.38 1zll h ARG 13 CO -0.00 1.37 -0.20 2.89 2.80 0.00 0.00 179.97 186.83 1zll n ARG 14 N -3.64 1.34 -0.18 0.20 -4.01 0.18 -3.92 116.66 106.62 1zll n ARG 14 Ca -0.19 -0.92 0.07 0.00 -1.04 0.00 0.00 57.85 55.77 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 2.28 1.22 2.89 0.00 0.29 -4.42 120.51 122.74 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 -0.55 0.47 0.00 0.00 0.00 0.00 19.45 19.78 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 0.82 0.00 -1.58 0.00 7.64 -1.20 -2.20 113.62 117.09 1zll n SER 16 Ca 0.14 -0.72 -0.12 0.00 1.01 0.00 0.00 58.87 59.17 1zll n SER 16 Cb 0.46 0.00 0.19 0.00 -1.01 0.00 0.00 64.21 63.84 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 2.81 -4.15 0.44 -2.24 -1.26 -4.97 114.28 103.99 1zll n THR 17 Ca 0.12 -2.53 -0.10 0.00 -2.27 0.00 0.00 64.05 59.27 1zll n THR 17 Cb 0.05 -0.42 -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 -3.35 0.20 -0.45 2.28 1.01 -0.94 -5.12 121.20 114.84 1zll s ILE 18 Ca 0.50 -1.91 0.05 0.00 0.00 0.00 0.00 60.65 59.29 1zll s ILE 18 Cb 0.44 -1.99 0.18 0.00 0.01 0.00 0.00 42.46 41.09 1zll s ILE 18 CO 0.03 -0.53 0.49 -1.61 0.00 0.00 0.00 174.94 173.32 1zll s GLU 19 N -4.01 0.93 -0.03 2.79 2.02 -1.26 -5.10 118.70 114.03 1zll s GLU 19 Ca 0.22 -1.56 -0.14 0.00 0.02 0.00 0.00 54.97 53.51 1zll s GLU 19 Cb 0.07 -0.81 0.02 0.00 0.10 0.00 0.00 34.13 33.51 1zll s GLU 19 CO 0.01 -1.34 0.31 -1.64 0.02 0.00 0.00 175.26 172.61 1zll s MET 20 N 0.54 0.61 0.00 1.61 -1.94 -1.26 -5.02 119.30 113.85 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 0.27 0.00 0.00 2.01 0.00 0.00 34.83 37.11 1zll s MET 20 CO -0.12 -0.16 0.90 -0.35 -0.01 0.00 0.00 175.02 175.28 1zll n PRO 21 N 1.57 0.61 0.00 2.03 -0.04 -1.26 -4.84 135.00 133.08 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 1.16 0.00 -0.26 0.54 7.27 -1.26 -3.91 117.38 120.92 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 0.46 0.00 2.41 0.00 0.00 30.24 33.42 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 1.13 -1.26 0.22 117.38 121.10 1zll n GLN 23 Ca 0.00 1.03 -0.10 0.00 -1.94 0.00 0.00 57.00 55.99 1zll n GLN 23 Cb 0.00 -1.88 0.05 0.00 0.11 0.00 0.00 30.24 28.52 1zll n GLN 23 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1zll h ALA 24 N 1.46 0.69 0.41 -1.58 0.00 -1.93 -1.39 119.26 116.93 1zll h ALA 24 Ca 0.65 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1zll h ALA 24 Cb 1.79 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 1zll h ALA 24 CO -0.54 0.68 -0.40 -0.09 0.00 0.00 0.00 179.25 178.90 1zll h ARG 25 N 0.46 -0.80 0.49 0.00 9.65 0.23 0.23 114.38 124.64 1zll h ARG 25 Ca 0.01 0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 58.92 1zll h ARG 25 Cb 1.07 0.18 0.00 0.00 -1.39 0.00 0.00 29.97 29.84 1zll h ARG 25 CO 0.10 -0.53 -0.24 0.37 2.80 0.00 0.00 179.97 182.48 1zll h GLN 26 N -0.83 -0.63 -0.89 0.20 -0.00 -1.50 -2.48 115.11 108.97 1zll h GLN 26 Ca -0.04 0.04 0.12 0.00 -0.00 0.00 0.00 58.65 58.78 1zll h GLN 26 Cb 0.73 0.14 -0.07 0.00 0.00 0.00 0.00 27.48 28.29 1zll h GLN 26 CO -0.06 -0.36 0.58 0.87 0.00 0.00 0.00 178.83 179.86 1zll h LYS 27 N -0.80 0.76 0.00 1.69 1.79 -1.22 -2.70 116.57 116.08 1zll h LYS 27 Ca -0.07 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.36 1zll h LYS 27 Cb 0.57 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 1zll h LYS 27 CO 0.11 0.50 -0.00 -0.07 -1.08 0.00 0.00 179.45 178.91 1zll h LEU 28 N 0.78 -0.01 -0.17 2.94 3.38 -0.41 0.11 115.31 121.93 1zll h LEU 28 Ca 0.44 -0.42 0.04 0.00 0.09 0.00 0.00 57.88 58.03 1zll h LEU 28 Cb 0.59 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 1zll h LEU 28 CO -0.20 0.42 -0.10 1.56 0.09 0.00 0.00 178.44 180.21 1zll h GLN 29 N -0.43 -0.09 0.49 1.13 4.20 -1.13 0.68 115.11 119.96 1zll h GLN 29 Ca -0.00 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1zll h GLN 29 Cb 0.42 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.23 1zll h GLN 29 CO 0.00 -0.06 -0.23 -0.91 -0.67 0.00 0.00 178.83 176.96 1zll h ASN 30 N -0.09 -0.55 -0.96 1.46 2.35 -1.56 -2.59 115.58 113.64 1zll h ASN 30 Ca 0.10 -0.01 0.20 0.00 -0.55 0.00 0.00 56.30 56.03 1zll h ASN 30 Cb 0.24 0.14 -0.08 0.00 0.05 0.00 0.00 38.32 38.66 1zll h ASN 30 CO -0.23 -0.13 0.61 -0.07 -1.65 0.00 0.00 177.43 175.96 1zll h LEU 31 N -1.14 0.58 0.66 1.61 3.38 -0.77 -2.50 115.31 117.14 1zll h LEU 31 Ca -0.07 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1zll h LEU 31 Cb 0.53 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.25 1zll h LEU 31 CO 0.11 0.22 -0.32 0.15 0.09 0.00 0.00 178.44 178.69 1zll h PHE 32 N 0.57 -0.82 -0.71 1.13 3.57 0.38 0.11 116.94 121.17 1zll h PHE 32 Ca 0.52 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 62.09 1zll h PHE 32 Cb 1.06 0.27 -0.11 0.00 2.79 0.00 0.00 35.95 39.96 1zll h PHE 32 CO -0.00 -0.51 -0.51 0.82 -2.23 0.00 0.00 178.31 175.88 1zll h ILE 33 N -0.97 0.03 -1.00 1.41 2.04 -1.04 0.80 117.51 118.77 1zll h ILE 33 Ca -0.09 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.89 1zll h ILE 33 Cb 0.68 0.03 -0.08 0.00 -0.74 0.00 0.00 36.82 36.71 1zll h ILE 33 CO 0.15 0.00 0.63 -0.55 0.00 0.00 0.00 178.15 178.38 1zll h ASN 34 N -0.18 0.93 -0.51 1.72 7.08 -1.47 0.22 115.58 123.37 1zll h ASN 34 Ca 0.17 0.04 -0.03 0.00 -3.08 0.00 0.00 56.30 53.40 1zll h ASN 34 Cb 0.53 -0.14 -0.03 0.00 -2.08 0.00 0.00 38.32 36.60 1zll h ASN 34 CO -0.77 0.50 0.22 0.15 -2.08 0.00 0.00 177.43 175.45 1zll h PHE 35 N 1.01 0.80 0.19 4.14 3.57 0.24 -2.70 116.94 124.19 1zll h PHE 35 Ca 0.49 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.94 1zll h PHE 35 Cb 0.47 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.96 1zll h PHE 35 CO -0.00 0.62 -0.09 0.00 -2.23 0.00 0.00 178.31 176.60 1zll h LEU 37 N -0.36 -0.56 -0.99 0.00 3.38 -1.05 0.28 115.31 116.00 1zll h LEU 37 Ca -0.03 0.15 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 1zll h LEU 37 Cb 0.28 0.34 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1zll h LEU 37 CO 0.04 -0.19 -0.05 0.40 0.09 0.00 0.00 178.44 178.73 1zll h ILE 38 N -0.05 1.24 0.03 1.22 2.04 -1.30 -2.06 117.51 118.62 1zll h ILE 38 Ca 0.23 -1.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.08 1zll h ILE 38 Cb 0.40 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1zll h ILE 38 CO -0.51 0.34 -0.02 0.25 0.00 0.00 0.00 178.15 178.22 1zll h LEU 39 N 0.62 -0.04 -1.70 1.44 5.85 0.16 -2.19 115.31 119.46 1zll h LEU 39 Ca 0.12 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.64 1zll h LEU 39 Cb 0.47 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 0.22 0.40 -0.34 0.00 0.00 178.44 178.95 1zll h ILE 40 N -0.27 1.05 0.18 4.05 2.04 -0.45 -1.64 117.51 122.47 1zll h ILE 40 Ca -0.00 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 1zll h ILE 40 Cb 0.25 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1zll h ILE 40 CO 0.01 0.07 -0.09 0.00 0.00 0.00 0.00 178.15 178.15 1zll h LEU 42 N -0.32 0.00 0.25 0.00 4.07 -1.34 -1.48 115.31 116.48 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 0.18 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.93 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 -0.28 -0.99 1.67 3.38 -0.99 -2.30 115.31 115.79 1zll h LEU 43 Ca 0.51 0.01 0.31 0.00 0.09 0.00 0.00 57.88 58.80 1zll h LEU 43 Cb 2.37 0.07 -0.15 0.00 0.09 0.00 0.00 40.66 43.05 1zll h LEU 43 CO -0.01 -0.11 0.54 -0.07 0.09 0.00 0.00 178.44 178.89 1zll h LEU 44 N -0.52 0.48 -0.49 1.67 3.38 -0.51 0.53 115.31 119.86 1zll h LEU 44 Ca -0.03 0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1zll h LEU 44 Cb 0.25 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1zll h LEU 44 CO 0.06 -0.13 0.25 0.40 0.09 0.00 0.00 178.44 179.11 1zll h ILE 45 N 0.32 1.18 0.44 1.22 2.04 -1.39 -1.76 117.51 119.56 1zll h ILE 45 Ca 0.72 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 66.08 1zll h ILE 45 Cb 1.61 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 38.28 1zll h ILE 45 CO -0.61 0.20 -0.50 0.00 0.00 0.00 0.00 178.15 177.24 1zll h ILE 47 N -0.96 0.33 0.27 0.00 2.04 -1.26 -0.67 117.51 117.26 1zll h ILE 47 Ca -0.05 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 1zll h ILE 47 Cb 0.85 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 1zll h ILE 47 CO -0.10 0.01 -0.23 0.40 0.00 0.00 0.00 178.15 178.23 1zll h ILE 48 N 0.05 0.51 -0.72 -0.67 2.04 -0.68 -0.71 117.51 117.32 1zll h ILE 48 Ca 0.37 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.44 1zll h ILE 48 Cb 0.61 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 1zll h ILE 48 CO -0.68 0.00 0.68 0.58 0.00 0.00 0.00 178.15 178.73 1zll h VAL 49 N -0.51 0.33 0.09 1.67 2.07 0.40 0.21 116.25 120.51 1zll h VAL 49 Ca -0.01 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 67.24 1zll h VAL 49 Cb 0.46 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1zll h VAL 49 CO -0.03 0.00 -1.24 -0.03 0.02 0.00 0.00 177.57 176.29 1zll h MET 50 N 0.00 0.20 -0.18 1.57 1.85 -0.38 -3.30 114.93 114.68 1zll h MET 50 Ca 0.34 -0.34 -0.17 0.00 -0.61 0.00 0.00 59.70 58.92 1zll h MET 50 Cb 1.70 0.13 -0.00 0.00 0.43 0.00 0.00 31.60 33.85 1zll h MET 50 CO -0.00 1.14 -0.58 -0.07 -0.40 0.00 0.00 176.91 176.99 1zll h LEU 51 N 0.05 0.66 0.00 3.39 3.38 -0.03 -3.52 115.31 119.25 1zll h LEU 51 Ca -0.13 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1zll h LEU 51 Cb 1.93 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.49 1zll h LEU 51 CO 0.18 1.10 0.00 0.18 0.09 0.00 0.00 178.44 179.99