#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 0.07 2.12 2.13 -1.26 -4.37 120.64 119.33 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 -1.20 -0.07 0.00 0.27 0.00 0.00 31.44 30.44 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 0.48 0.04 5.31 1.57 -2.05 -2.73 116.57 119.18 1zll h LYS 3 Ca 0.00 -0.55 -0.00 0.00 -1.87 0.00 0.00 60.65 58.23 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 1.19 -0.02 0.28 -0.57 0.00 0.00 179.45 180.33 1zll h VAL 4 N 0.26 1.09 -0.51 0.50 2.07 -2.00 -2.64 116.25 115.02 1zll h VAL 4 Ca -0.11 -1.67 0.15 0.00 0.82 0.00 0.00 66.70 65.89 1zll h VAL 4 Cb 1.67 2.01 -0.02 0.00 -1.52 0.00 0.00 31.29 33.43 1zll h VAL 4 CO 0.18 0.35 0.52 1.56 0.02 0.00 0.00 177.57 180.20 1zll h GLN 5 N -0.95 0.00 0.19 1.57 4.20 -1.91 0.32 115.11 118.53 1zll h GLN 5 Ca -0.01 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.39 1zll h GLN 5 Cb 0.61 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.42 1zll h GLN 5 CO 0.01 0.00 -1.36 -0.92 -0.67 0.00 0.00 178.83 175.89 1zll h TYR 6 N 0.00 0.91 0.00 2.96 3.20 -1.48 -2.48 116.97 120.08 1zll h TYR 6 Ca 0.24 -0.63 -0.07 0.00 3.14 0.00 0.00 58.73 61.41 1zll h TYR 6 Cb 1.28 -0.05 0.01 0.00 1.54 0.00 0.00 36.73 39.51 1zll h TYR 6 CO 0.00 1.48 -0.26 -0.07 -1.64 0.00 0.00 178.16 177.67 1zll h LEU 7 N 0.18 0.23 -0.84 2.82 3.38 -0.13 -1.97 115.31 118.98 1zll h LEU 7 Ca -0.21 -0.79 -0.04 0.00 0.09 0.00 0.00 57.88 56.93 1zll h LEU 7 Cb 2.05 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 42.69 1zll h LEU 7 CO 0.25 0.98 0.37 0.71 0.09 0.00 0.00 178.44 180.84 1zll h THR 8 N -0.51 1.26 -0.04 0.22 1.35 -0.84 -1.88 112.91 112.48 1zll h THR 8 Ca -0.03 -0.78 -0.10 0.00 -0.55 0.00 0.00 66.41 64.95 1zll h THR 8 Cb 1.02 0.23 -0.01 0.00 -1.73 0.00 0.00 68.15 67.66 1zll h THR 8 CO 0.05 0.33 -0.44 -0.09 -0.25 0.00 0.00 175.52 175.12 1zll h ARG 9 N 1.19 0.09 -0.09 4.72 2.43 -1.51 -2.40 114.38 118.81 1zll h ARG 9 Ca 0.28 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.32 1zll h ARG 9 Cb 0.17 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1zll h ARG 9 CO -0.03 0.52 -0.36 1.03 -1.51 0.00 0.00 179.97 179.62 1zll h SER 10 N 0.08 0.18 0.12 -3.80 0.87 -0.57 -2.43 113.55 108.01 1zll h SER 10 Ca 0.00 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.49 1zll h SER 10 Cb 0.81 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 1zll h SER 10 CO 0.06 0.54 -0.06 0.00 -0.53 0.00 0.00 176.83 176.84 1zll h ALA 11 N 1.48 -0.20 -0.44 6.23 0.00 -1.10 -2.43 119.26 122.80 1zll h ALA 11 Ca 0.02 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.02 1zll h ALA 11 Cb 0.71 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1zll h ALA 11 CO 0.05 -0.19 0.72 0.82 0.00 0.00 0.00 179.25 180.65 1zll h ILE 12 N -0.76 0.13 0.23 0.00 2.04 -1.52 0.97 117.51 118.60 1zll h ILE 12 Ca -0.02 0.00 -0.34 0.00 1.00 0.00 0.00 64.86 65.50 1zll h ILE 12 Cb 0.12 0.37 0.03 0.00 -0.74 0.00 0.00 36.82 36.60 1zll h ILE 12 CO 0.03 0.00 -1.56 -0.09 0.00 0.00 0.00 178.15 176.53 1zll h ARG 13 N 0.00 0.48 -0.01 2.37 2.43 -1.45 -3.18 114.38 115.02 1zll h ARG 13 Ca 0.21 -0.82 0.00 0.00 -0.81 0.00 0.00 59.98 58.55 1zll h ARG 13 Cb 1.65 0.31 0.00 0.00 -0.42 0.00 0.00 29.97 31.51 1zll h ARG 13 CO -0.00 1.39 -0.18 -2.13 -1.51 0.00 0.00 179.97 177.54 1zll n ARG 14 N -3.66 1.39 -0.19 0.20 0.00 0.18 -3.92 116.66 110.66 1zll n ARG 14 Ca -0.19 -0.95 0.07 0.00 -0.00 0.00 0.00 57.85 56.78 1zll n ARG 14 Cb 1.09 -1.48 0.17 0.00 0.00 0.00 0.00 32.46 32.25 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 0.02 2.25 1.29 5.13 0.00 0.28 -4.42 120.51 125.07 1zll n ALA 15 Ca 0.14 -1.11 0.08 0.00 0.00 0.00 0.00 53.44 52.55 1zll n ALA 15 Cb 0.41 -0.53 0.47 0.00 0.00 0.00 0.00 19.45 19.80 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 0.76 0.00 -1.55 0.00 2.88 -1.20 -2.24 113.62 112.27 1zll n SER 16 Ca 0.14 -0.79 -0.12 0.00 -1.33 0.00 0.00 58.87 56.76 1zll n SER 16 Cb 0.45 0.00 0.18 0.00 -0.75 0.00 0.00 64.21 64.09 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 -0.89 2.79 -4.15 2.46 -2.24 -1.26 -4.98 114.28 106.02 1zll n THR 17 Ca 0.12 -2.63 -0.10 0.00 -2.27 0.00 0.00 64.05 59.18 1zll n THR 17 Cb 0.05 -0.44 -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 -3.41 0.11 -0.46 2.28 1.01 -0.95 -5.12 121.20 114.66 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 -2.01 0.18 0.00 0.01 0.00 0.00 42.46 41.07 1zll s ILE 18 CO 0.03 -0.50 0.52 -1.84 0.00 0.00 0.00 174.94 173.15 1zll n GLU 19 N -0.08 0.35 -3.79 2.79 0.28 -1.26 -5.10 120.64 113.82 1zll n GLU 19 Ca -0.06 -2.64 -0.13 0.00 -0.16 0.00 0.00 57.16 54.17 1zll n GLU 19 Cb 0.64 -1.58 -0.09 0.00 1.43 0.00 0.00 31.44 31.84 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 0.43 0.59 0.00 3.44 -1.94 -1.26 -5.02 119.30 115.54 1zll s MET 20 Ca 0.32 -0.18 0.00 0.00 -1.71 0.00 0.00 55.69 54.11 1zll s MET 20 Cb 0.02 0.26 0.00 0.00 2.01 0.00 0.00 34.83 37.12 1zll s MET 20 CO -0.13 -0.15 0.80 -0.35 -0.01 0.00 0.00 175.02 175.18 1zll n PRO 21 N 1.50 0.62 0.00 2.03 -0.04 -1.26 -4.84 135.00 133.01 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 -1.19 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 1.04 -0.04 0.00 0.00 175.50 176.50 1zll n GLN 22 N 0.97 0.00 -0.26 0.54 1.13 -1.26 -3.94 117.38 114.55 1zll n GLN 22 Ca 0.00 0.00 0.25 0.00 -1.94 0.00 0.00 57.00 55.31 1zll n GLN 22 Cb 0.31 0.00 0.46 0.00 0.11 0.00 0.00 30.24 31.12 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 0.22 117.38 121.21 1zll n GLN 23 Ca 0.00 1.04 -0.09 0.00 -0.01 0.00 0.00 57.00 57.93 1zll n GLN 23 Cb 0.00 -1.89 0.06 0.00 1.02 0.00 0.00 30.24 29.42 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 1.48 0.71 0.42 -1.58 0.00 -1.93 -1.40 119.26 116.95 1zll h ALA 24 Ca 0.65 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 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 -0.55 0.68 -0.40 -0.09 0.00 0.00 0.00 179.25 178.89 1zll h ARG 25 N 0.47 -0.80 0.47 0.00 9.65 0.23 0.24 114.38 124.63 1zll h ARG 25 Ca 0.02 0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 58.93 1zll h ARG 25 Cb 1.05 0.18 0.00 0.00 -1.39 0.00 0.00 29.97 29.81 1zll h ARG 25 CO 0.10 -0.53 -0.22 1.96 2.80 0.00 0.00 179.97 184.07 1zll h GLN 26 N -0.83 -0.61 -0.88 0.20 1.08 -1.50 -2.48 115.11 110.10 1zll h GLN 26 Ca -0.04 0.04 0.12 0.00 -1.45 0.00 0.00 58.65 57.33 1zll h GLN 26 Cb 0.73 0.14 -0.07 0.00 -0.05 0.00 0.00 27.48 28.23 1zll h GLN 26 CO -0.05 -0.34 0.57 0.87 -0.95 0.00 0.00 178.83 178.93 1zll h LYS 27 N -0.77 0.73 -0.03 1.46 1.57 -1.22 -2.69 116.57 115.62 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 0.55 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 1zll h LYS 27 CO 0.11 0.48 -0.02 -0.07 -0.57 0.00 0.00 179.45 179.38 1zll h LEU 28 N 0.75 0.06 -0.27 2.94 3.38 -0.39 0.13 115.31 121.91 1zll h LEU 28 Ca 0.43 -0.44 0.05 0.00 0.09 0.00 0.00 57.88 58.00 1zll h LEU 28 Cb 0.59 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 1zll h LEU 28 CO -0.19 0.49 0.01 -0.61 0.09 0.00 0.00 178.44 178.22 1zll h GLN 29 N -0.37 0.09 0.30 1.13 4.15 -1.12 0.66 115.11 119.94 1zll h GLN 29 Ca 0.01 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 1zll h GLN 29 Cb 0.47 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.14 1zll h GLN 29 CO 0.00 0.06 -0.14 -0.91 -1.93 0.00 0.00 178.83 175.91 1zll h ASN 30 N 0.09 -0.34 -0.84 -0.69 -0.26 -1.55 -2.65 115.58 109.34 1zll h ASN 30 Ca 0.13 -0.16 0.14 0.00 -0.56 0.00 0.00 56.30 55.85 1zll h ASN 30 Cb 0.17 0.09 -0.06 0.00 -1.06 0.00 0.00 38.32 37.45 1zll h ASN 30 CO -0.21 0.14 0.55 -0.07 -1.06 0.00 0.00 177.43 176.78 1zll h LEU 31 N -0.99 0.59 0.62 1.61 3.38 -0.70 -2.60 115.31 117.22 1zll h LEU 31 Ca -0.04 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1zll h LEU 31 Cb 0.47 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.14 1zll h LEU 31 CO 0.07 0.31 -0.30 0.15 0.09 0.00 0.00 178.44 178.76 1zll h PHE 32 N 0.63 -0.78 -0.77 1.13 3.57 0.32 0.03 116.94 121.08 1zll h PHE 32 Ca 0.41 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.99 1zll h PHE 32 Cb 0.70 0.26 -0.12 0.00 2.79 0.00 0.00 35.95 39.58 1zll h PHE 32 CO -0.00 -0.48 -0.49 0.82 -2.23 0.00 0.00 178.31 175.92 1zll h ILE 33 N -0.91 0.03 -0.94 1.41 2.04 -1.11 0.91 117.51 118.93 1zll h ILE 33 Ca -0.09 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.87 1zll h ILE 33 Cb 0.64 0.03 -0.07 0.00 -0.74 0.00 0.00 36.82 36.68 1zll h ILE 33 CO 0.14 0.00 0.61 0.78 0.00 0.00 0.00 178.15 179.68 1zll h ASN 34 N -0.14 0.88 -0.41 1.72 2.35 -1.47 0.19 115.58 118.71 1zll h ASN 34 Ca 0.19 0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.92 1zll h ASN 34 Cb 0.53 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.72 1zll h ASN 34 CO -0.81 0.51 0.09 0.15 -1.65 0.00 0.00 177.43 175.72 1zll h PHE 35 N 0.96 0.76 0.15 1.19 3.57 0.26 -2.71 116.94 121.12 1zll h PHE 35 Ca 0.44 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.86 1zll h PHE 35 Cb 0.40 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.92 1zll h PHE 35 CO -0.00 0.66 -0.07 0.00 -2.23 0.00 0.00 178.31 176.67 1zll h LEU 37 N -0.30 -0.66 -1.15 0.00 3.38 -1.05 0.28 115.31 115.82 1zll h LEU 37 Ca -0.02 0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1zll h LEU 37 Cb 0.24 0.35 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1zll h LEU 37 CO 0.03 -0.23 0.21 0.40 0.09 0.00 0.00 178.44 178.95 1zll h ILE 38 N -0.14 1.21 0.04 1.22 2.04 -1.34 -1.99 117.51 118.54 1zll h ILE 38 Ca 0.18 -0.65 -0.00 0.00 1.00 0.00 0.00 64.86 65.38 1zll h ILE 38 Cb 0.42 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1zll h ILE 38 CO -0.44 0.26 -0.02 0.25 0.00 0.00 0.00 178.15 178.20 1zll h LEU 39 N 0.80 -0.05 -1.68 1.44 5.85 0.15 -2.18 115.31 119.65 1zll h LEU 39 Ca 0.19 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.72 1zll h LEU 39 Cb 0.17 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1zll h LEU 39 CO -0.02 0.19 0.25 0.40 -0.34 0.00 0.00 178.44 178.92 1zll h ILE 40 N -0.29 1.04 0.19 4.05 2.04 -0.41 -1.64 117.51 122.48 1zll h ILE 40 Ca -0.01 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 1zll h ILE 40 Cb 0.26 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1zll h ILE 40 CO 0.01 0.08 -0.09 0.00 0.00 0.00 0.00 178.15 178.15 1zll h LEU 42 N -0.33 0.00 0.30 0.00 4.07 -1.34 -1.15 115.31 116.86 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 -0.14 -0.07 -1.08 0.00 0.00 178.44 177.19 1zll h LEU 43 N 0.00 -0.34 -1.06 1.67 4.07 -0.99 -2.34 115.31 116.32 1zll h LEU 43 Ca 0.46 0.01 0.28 0.00 0.08 0.00 0.00 57.88 58.71 1zll h LEU 43 Cb 2.24 0.09 -0.13 0.00 1.08 0.00 0.00 40.66 43.94 1zll h LEU 43 CO -0.00 -0.12 0.61 -0.07 -1.08 0.00 0.00 178.44 177.78 1zll h LEU 44 N -0.66 0.59 -0.51 1.67 3.38 -0.26 0.43 115.31 119.95 1zll h LEU 44 Ca -0.04 0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1zll h LEU 44 Cb 0.31 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1zll h LEU 44 CO 0.07 0.02 0.30 0.40 0.09 0.00 0.00 178.44 179.32 1zll h ILE 45 N 0.47 1.16 0.43 1.22 2.04 -1.40 -1.74 117.51 119.69 1zll h ILE 45 Ca 0.67 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 66.14 1zll h ILE 45 Cb 1.44 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.98 1zll h ILE 45 CO -0.49 0.17 -0.48 0.00 0.00 0.00 0.00 178.15 177.34 1zll h ILE 47 N -0.93 0.36 0.10 0.00 2.04 -1.23 -0.54 117.51 117.31 1zll h ILE 47 Ca -0.05 -0.01 0.02 0.00 1.00 0.00 0.00 64.86 65.82 1zll h ILE 47 Cb 0.83 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 1zll h ILE 47 CO -0.09 0.00 -0.21 0.40 0.00 0.00 0.00 178.15 178.25 1zll h ILE 48 N 0.02 0.52 -0.50 -0.67 2.04 -0.72 -0.57 117.51 117.63 1zll h ILE 48 Ca 0.33 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.33 1zll h ILE 48 Cb 0.51 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 1zll h ILE 48 CO -0.66 0.00 0.54 0.58 0.00 0.00 0.00 178.15 178.61 1zll h VAL 49 N -0.39 0.34 0.12 1.67 2.07 0.48 0.15 116.25 120.68 1zll h VAL 49 Ca 0.03 0.00 -0.28 0.00 0.82 0.00 0.00 66.70 67.27 1zll h VAL 49 Cb 0.42 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1zll h VAL 49 CO -0.12 0.00 -1.31 0.24 0.02 0.00 0.00 177.57 176.40 1zll h MET 50 N 0.00 0.25 -0.16 1.57 2.86 -0.36 -3.30 114.93 115.79 1zll h MET 50 Ca 0.24 -0.43 -0.14 0.00 -2.06 0.00 0.00 59.70 57.32 1zll h MET 50 Cb 1.31 0.16 -0.01 0.00 0.06 0.00 0.00 31.60 33.12 1zll h MET 50 CO -0.00 1.17 -0.48 -0.07 1.06 0.00 0.00 176.91 178.59 1zll h LEU 51 N 0.07 0.47 0.00 1.22 3.38 -0.13 -3.52 115.31 116.80 1zll h LEU 51 Ca -0.16 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1zll h LEU 51 Cb 1.97 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.59 1zll h LEU 51 CO 0.19 0.88 0.00 0.18 0.09 0.00 0.00 178.44 179.78