#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 3.17 2.13 -1.26 -4.31 120.64 120.45 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 -1.28 -0.08 0.00 0.27 0.00 0.00 31.44 30.35 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 0.38 0.00 5.31 1.79 -2.05 -2.74 116.57 119.26 1zll h LYS 3 Ca 0.00 -0.48 -0.00 0.00 -2.18 0.00 0.00 60.65 57.99 1zll h LYS 3 Cb 0.00 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 1zll h LYS 3 CO 0.00 1.16 -0.00 0.28 -1.08 0.00 0.00 179.45 179.80 1zll h VAL 4 N 0.18 1.18 -0.60 0.50 2.07 -2.00 -2.67 116.25 114.91 1zll h VAL 4 Ca -0.10 -1.86 0.17 0.00 0.82 0.00 0.00 66.70 65.73 1zll h VAL 4 Cb 1.72 2.21 -0.02 0.00 -1.52 0.00 0.00 31.29 33.68 1zll h VAL 4 CO 0.18 0.40 0.57 -0.61 0.02 0.00 0.00 177.57 178.12 1zll h GLN 5 N -0.99 0.00 0.14 1.57 5.75 -1.91 0.37 115.11 120.04 1zll h GLN 5 Ca -0.00 0.00 -0.30 0.00 -0.15 0.00 0.00 58.65 58.20 1zll h GLN 5 Cb 0.65 0.00 0.02 0.00 1.07 0.00 0.00 27.48 29.23 1zll h GLN 5 CO 0.00 0.00 -1.27 -0.92 -2.65 0.00 0.00 178.83 173.99 1zll h TYR 6 N 0.00 0.86 0.01 3.99 3.20 -1.49 -2.44 116.97 121.10 1zll h TYR 6 Ca 0.28 -0.57 -0.07 0.00 3.14 0.00 0.00 58.73 61.52 1zll h TYR 6 Cb 1.41 -0.06 0.01 0.00 1.54 0.00 0.00 36.73 39.63 1zll h TYR 6 CO 0.00 1.42 -0.27 -0.07 -1.64 0.00 0.00 178.16 177.61 1zll h LEU 7 N 0.20 0.22 -0.79 2.82 3.38 -0.07 -2.02 115.31 119.05 1zll h LEU 7 Ca -0.18 -0.81 -0.04 0.00 0.09 0.00 0.00 57.88 56.93 1zll h LEU 7 Cb 1.95 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 42.60 1zll h LEU 7 CO 0.23 1.00 0.33 0.71 0.09 0.00 0.00 178.44 180.80 1zll h THR 8 N -0.54 1.26 -0.04 0.22 1.35 -0.82 -1.88 112.91 112.45 1zll h THR 8 Ca -0.04 -0.80 -0.09 0.00 -0.55 0.00 0.00 66.41 64.93 1zll h THR 8 Cb 1.05 0.30 -0.01 0.00 -1.73 0.00 0.00 68.15 67.76 1zll h THR 8 CO 0.05 0.33 -0.39 0.08 -0.25 0.00 0.00 175.52 175.34 1zll h ARG 9 N 1.15 0.09 -0.06 4.72 0.11 -1.51 -2.38 114.38 116.49 1zll h ARG 9 Ca 0.27 -0.04 -0.09 0.00 0.10 0.00 0.00 59.98 60.22 1zll h ARG 9 Cb 0.20 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.27 1zll h ARG 9 CO -0.02 0.47 -0.38 0.77 0.10 0.00 0.00 179.97 180.91 1zll h SER 10 N 0.08 0.13 0.09 0.08 0.02 -0.58 -2.45 113.55 110.93 1zll h SER 10 Ca 0.01 -0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1zll h SER 10 Cb 0.74 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.24 1zll h SER 10 CO 0.05 0.51 -0.04 0.00 -1.14 0.00 0.00 176.83 176.21 1zll h ALA 11 N 1.50 -0.16 -0.41 3.77 0.00 -1.08 -2.42 119.26 120.45 1zll h ALA 11 Ca 0.01 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.01 1zll h ALA 11 Cb 0.73 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1zll h ALA 11 CO 0.05 -0.15 0.72 0.82 0.00 0.00 0.00 179.25 180.69 1zll h ILE 12 N -0.76 0.12 0.22 0.00 2.04 -1.52 0.96 117.51 118.58 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 0.10 0.37 0.03 0.00 -0.74 0.00 0.00 36.82 36.57 1zll h ILE 12 CO 0.02 0.00 -1.58 -0.09 0.00 0.00 0.00 178.15 176.50 1zll h ARG 13 N 0.00 0.47 -0.02 2.37 9.65 -1.46 -3.18 114.38 122.21 1zll h ARG 13 Ca 0.20 -0.81 0.00 0.00 -1.10 0.00 0.00 59.98 58.27 1zll h ARG 13 Cb 1.64 0.30 0.00 0.00 -1.39 0.00 0.00 29.97 30.52 1zll h ARG 13 CO -0.00 1.38 -0.14 0.54 2.80 0.00 0.00 179.97 184.55 1zll n ARG 14 N -3.66 1.49 -0.19 0.20 1.74 0.18 -3.92 116.66 112.51 1zll n ARG 14 Ca -0.19 -1.01 0.07 0.00 -0.77 0.00 0.00 57.85 55.94 1zll n ARG 14 Cb 1.09 -1.48 0.17 0.00 -1.02 0.00 0.00 32.46 31.22 1zll n ARG 14 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1zll n ALA 15 N 0.13 2.24 1.34 7.54 0.00 0.28 -4.43 120.51 127.61 1zll n ALA 15 Ca 0.15 -1.11 0.08 0.00 0.00 0.00 0.00 53.44 52.56 1zll n ALA 15 Cb 0.41 -0.51 0.47 0.00 0.00 0.00 0.00 19.45 19.83 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 0.72 0.00 -1.56 0.00 7.64 -1.20 -2.27 113.62 116.94 1zll n SER 16 Ca 0.13 -0.84 -0.12 0.00 1.01 0.00 0.00 58.87 59.05 1zll n SER 16 Cb 0.45 0.00 0.18 0.00 -1.01 0.00 0.00 64.21 63.82 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 -0.87 2.80 -4.14 0.44 -2.24 -1.26 -4.98 114.28 104.03 1zll n THR 17 Ca 0.12 -2.62 -0.10 0.00 -2.27 0.00 0.00 64.05 59.18 1zll n THR 17 Cb 0.05 -0.45 -0.10 0.00 -2.10 0.00 0.00 70.33 67.74 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 -3.42 0.11 -0.46 2.28 1.01 -0.96 -5.12 121.20 114.63 1zll s ILE 18 Ca 0.49 -1.89 0.06 0.00 0.00 0.00 0.00 60.65 59.31 1zll s ILE 18 Cb 0.43 -2.01 0.18 0.00 0.01 0.00 0.00 42.46 41.08 1zll s ILE 18 CO 0.03 -0.49 0.54 -1.84 0.00 0.00 0.00 174.94 173.18 1zll n GLU 19 N -0.09 0.38 -3.81 2.79 0.28 -1.26 -5.10 120.64 113.83 1zll n GLU 19 Ca -0.06 -2.62 -0.12 0.00 -0.16 0.00 0.00 57.16 54.20 1zll n GLU 19 Cb 0.64 -1.56 -0.09 0.00 1.43 0.00 0.00 31.44 31.85 1zll n GLU 19 CO 0.00 0.00 0.00 -1.64 -0.16 0.00 0.00 177.13 175.33 1zll s MET 20 N 0.40 0.58 0.00 3.44 -1.94 -1.26 -5.02 119.30 115.50 1zll s MET 20 Ca 0.32 -0.26 0.00 0.00 -1.71 0.00 0.00 55.69 54.03 1zll s MET 20 Cb 0.03 0.25 0.00 0.00 2.01 0.00 0.00 34.83 37.12 1zll s MET 20 CO -0.13 -0.15 0.89 -0.35 -0.01 0.00 0.00 175.02 175.27 1zll n PRO 21 N 1.41 0.64 0.00 2.03 -0.04 -1.26 -4.84 135.00 132.94 1zll n PRO 21 Ca -0.22 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.24 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 1.07 0.00 -0.25 0.54 6.02 -1.26 -3.92 117.38 119.58 1zll n GLN 22 Ca 0.00 0.00 0.24 0.00 -0.01 0.00 0.00 57.00 57.23 1zll n GLN 22 Cb 0.32 0.00 0.45 0.00 1.02 0.00 0.00 30.24 32.03 1zll n GLN 22 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1zll n GLN 23 N 0.00 -0.04 0.00 -1.09 1.13 -1.26 0.22 117.38 116.34 1zll n GLN 23 Ca 0.00 1.03 -0.08 0.00 -1.94 0.00 0.00 57.00 56.01 1zll n GLN 23 Cb 0.00 -1.87 0.08 0.00 0.11 0.00 0.00 30.24 28.56 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 1.49 0.77 0.47 -1.58 0.00 -1.93 -1.36 119.26 117.12 1zll h ALA 24 Ca 0.64 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1zll h ALA 24 Cb 1.71 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.39 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 0.44 -0.81 0.48 0.00 2.43 0.24 0.23 114.38 117.39 1zll h ARG 25 Ca 0.02 0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 1zll h ARG 25 Cb 1.00 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1zll h ARG 25 CO 0.09 -0.54 -0.23 0.37 -1.51 0.00 0.00 179.97 178.15 1zll h GLN 26 N -0.84 -0.63 -0.89 0.20 4.15 -1.50 -2.48 115.11 113.11 1zll h GLN 26 Ca -0.05 0.04 0.13 0.00 0.77 0.00 0.00 58.65 59.54 1zll h GLN 26 Cb 0.72 0.14 -0.07 0.00 0.21 0.00 0.00 27.48 28.49 1zll h GLN 26 CO -0.01 -0.35 0.58 -0.22 -1.93 0.00 0.00 178.83 176.90 1zll h LYS 27 N -0.80 0.75 -0.01 1.69 3.64 -1.22 -2.69 116.57 117.93 1zll h LYS 27 Ca -0.07 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1zll h LYS 27 Cb 0.56 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1zll h LYS 27 CO 0.11 0.50 -0.00 -0.07 -2.27 0.00 0.00 179.45 177.71 1zll h LEU 28 N 0.77 0.01 -0.24 5.20 3.38 -0.41 0.13 115.31 124.16 1zll h LEU 28 Ca 0.44 -0.42 0.04 0.00 0.09 0.00 0.00 57.88 58.04 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 0.43 -0.04 1.56 0.09 0.00 0.00 178.44 180.28 1zll h GLN 29 N -0.40 0.03 0.36 1.13 1.08 -1.13 0.68 115.11 116.85 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 0.42 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 1zll h GLN 29 CO 0.00 0.02 -0.17 -0.91 -0.95 0.00 0.00 178.83 176.82 1zll h ASN 30 N 0.03 -0.41 -0.89 1.46 2.35 -1.55 -2.62 115.58 113.94 1zll h ASN 30 Ca 0.11 -0.10 0.16 0.00 -0.55 0.00 0.00 56.30 55.92 1zll h ASN 30 Cb 0.16 0.10 -0.07 0.00 0.05 0.00 0.00 38.32 38.57 1zll h ASN 30 CO -0.22 0.05 0.58 -0.07 -1.65 0.00 0.00 177.43 176.11 1zll h LEU 31 N -1.04 0.61 0.69 1.61 -0.00 -0.71 -2.54 115.31 113.92 1zll h LEU 31 Ca -0.05 0.04 -0.03 0.00 -0.00 0.00 0.00 57.88 57.84 1zll h LEU 31 Cb 0.48 -0.08 0.01 0.00 -0.00 0.00 0.00 40.66 41.08 1zll h LEU 31 CO 0.08 0.29 -0.33 0.15 -0.00 0.00 0.00 178.44 178.63 1zll h PHE 32 N 0.63 -0.85 -0.69 1.13 3.57 0.37 0.10 116.94 121.20 1zll h PHE 32 Ca 0.45 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 62.03 1zll h PHE 32 Cb 0.81 0.28 -0.11 0.00 2.79 0.00 0.00 35.95 39.72 1zll h PHE 32 CO -0.00 -0.53 -0.47 0.82 -2.23 0.00 0.00 178.31 175.90 1zll h ILE 33 N -1.00 0.05 -0.97 1.41 2.04 -1.07 0.79 117.51 118.77 1zll h ILE 33 Ca -0.09 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.85 1zll h ILE 33 Cb 0.71 0.05 -0.07 0.00 -0.74 0.00 0.00 36.82 36.77 1zll h ILE 33 CO 0.15 0.00 0.62 -0.55 0.00 0.00 0.00 178.15 178.38 1zll h ASN 34 N -0.18 0.94 -0.49 1.72 7.08 -1.46 0.18 115.58 123.37 1zll h ASN 34 Ca 0.19 0.02 -0.03 0.00 -3.08 0.00 0.00 56.30 53.40 1zll h ASN 34 Cb 0.55 -0.18 -0.03 0.00 -2.08 0.00 0.00 38.32 36.58 1zll h ASN 34 CO -0.76 0.57 0.20 0.15 -2.08 0.00 0.00 177.43 175.50 1zll h PHE 35 N 1.05 0.79 0.08 4.14 3.04 0.24 -2.67 116.94 123.61 1zll h PHE 35 Ca 0.44 -0.05 -0.00 0.00 3.98 0.00 0.00 57.97 62.34 1zll h PHE 35 Cb 0.31 -0.24 0.00 0.00 2.56 0.00 0.00 35.95 38.58 1zll h PHE 35 CO -0.00 0.63 -0.04 0.00 -2.02 0.00 0.00 178.31 176.88 1zll h LEU 37 N -0.20 -0.43 -1.06 0.00 3.38 -1.01 0.27 115.31 116.26 1zll h LEU 37 Ca -0.01 0.12 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 1zll h LEU 37 Cb 0.17 0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1zll h LEU 37 CO 0.02 -0.16 0.06 0.40 0.09 0.00 0.00 178.44 178.85 1zll h ILE 38 N -0.05 1.22 0.04 1.22 2.04 -1.32 -1.99 117.51 118.67 1zll h ILE 38 Ca 0.17 -0.86 -0.00 0.00 1.00 0.00 0.00 64.86 65.18 1zll h ILE 38 Cb 0.31 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 1zll h ILE 38 CO -0.39 0.31 -0.02 0.25 0.00 0.00 0.00 178.15 178.30 1zll h LEU 39 N 0.70 -0.04 -1.61 1.44 7.12 0.14 -2.18 115.31 120.88 1zll h LEU 39 Ca 0.15 -0.23 0.03 0.00 0.13 0.00 0.00 57.88 57.96 1zll h LEU 39 Cb 0.35 0.01 -0.02 0.00 -0.53 0.00 0.00 40.66 40.46 1zll h LEU 39 CO 0.01 0.21 0.31 0.40 -0.13 0.00 0.00 178.44 179.23 1zll h ILE 40 N -0.29 1.05 0.18 4.05 2.04 -0.45 -1.53 117.51 122.56 1zll h ILE 40 Ca -0.00 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 1zll h ILE 40 Cb 0.27 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1zll h ILE 40 CO 0.01 0.09 -0.09 0.00 0.00 0.00 0.00 178.15 178.16 1zll h LEU 42 N -0.31 0.00 0.21 0.00 4.07 -1.34 -1.57 115.31 116.38 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 0.19 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 -0.10 -0.07 -1.08 0.00 0.00 178.44 177.23 1zll h LEU 43 N 0.00 -0.24 -0.98 1.67 -0.00 -0.98 -2.26 115.31 112.53 1zll h LEU 43 Ca 0.58 0.01 0.32 0.00 -0.00 0.00 0.00 57.88 58.79 1zll h LEU 43 Cb 2.50 0.06 -0.16 0.00 -0.00 0.00 0.00 40.66 43.06 1zll h LEU 43 CO -0.01 -0.12 0.46 -0.07 -0.00 0.00 0.00 178.44 178.70 1zll h LEU 44 N -0.38 0.31 -0.51 1.67 3.38 -0.51 0.57 115.31 119.84 1zll h LEU 44 Ca -0.03 0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1zll h LEU 44 Cb 0.22 0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1zll h LEU 44 CO 0.05 -0.22 0.29 0.40 0.09 0.00 0.00 178.44 179.04 1zll h ILE 45 N 0.21 1.17 0.38 1.22 2.04 -1.38 -1.73 117.51 119.42 1zll h ILE 45 Ca 0.72 -0.41 -0.00 0.00 1.00 0.00 0.00 64.86 66.16 1zll h ILE 45 Cb 1.66 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 38.23 1zll h ILE 45 CO -0.67 0.18 -0.46 0.00 0.00 0.00 0.00 178.15 177.19 1zll h ILE 47 N -0.87 0.42 0.21 0.00 2.04 -1.23 -0.74 117.51 117.33 1zll h ILE 47 Ca -0.03 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1zll h ILE 47 Cb 0.79 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 1zll h ILE 47 CO -0.11 0.02 -0.20 0.40 0.00 0.00 0.00 178.15 178.25 1zll h ILE 48 N 0.09 0.56 -0.59 -0.67 2.04 -0.69 -0.66 117.51 117.58 1zll h ILE 48 Ca 0.35 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.38 1zll h ILE 48 Cb 0.57 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 1zll h ILE 48 CO -0.60 0.00 0.60 0.58 0.00 0.00 0.00 178.15 178.73 1zll h VAL 49 N -0.44 0.33 0.10 1.67 2.07 0.36 0.18 116.25 120.52 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 0.41 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1zll h VAL 49 CO -0.05 0.00 -1.29 0.24 0.02 0.00 0.00 177.57 176.49 1zll h MET 50 N 0.00 0.21 0.00 1.57 2.86 -0.39 -3.28 114.93 115.91 1zll h MET 50 Ca 0.28 -0.36 -0.11 0.00 -2.06 0.00 0.00 59.70 57.45 1zll h MET 50 Cb 1.48 0.14 -0.02 0.00 0.06 0.00 0.00 31.60 33.26 1zll h MET 50 CO -0.00 1.13 -0.51 -0.07 1.06 0.00 0.00 176.91 178.52 1zll h LEU 51 N 0.06 0.00 0.00 1.22 3.38 -0.08 -3.52 115.31 116.37 1zll h LEU 51 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1zll h LEU 51 Cb 1.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.70 1zll h LEU 51 CO 0.18 0.51 0.00 0.18 0.09 0.00 0.00 178.44 179.39