#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 -4.36 120.64 119.35 1zll n GLU 2 Ca 0.00 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.65 1zll n GLU 2 Cb 0.00 -1.31 -0.10 0.00 0.27 0.00 0.00 31.44 30.30 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 0.46 0.05 5.31 1.57 -2.05 -2.76 116.57 119.14 1zll h LYS 3 Ca 0.00 -0.59 -0.00 0.00 -1.87 0.00 0.00 60.65 58.19 1zll h LYS 3 Cb 0.00 0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1zll h LYS 3 CO 0.00 1.23 -0.02 0.28 -0.57 0.00 0.00 179.45 180.37 1zll h VAL 4 N 0.21 1.03 -0.55 0.50 2.07 -2.00 -2.74 116.25 114.78 1zll h VAL 4 Ca -0.13 -1.60 0.16 0.00 0.82 0.00 0.00 66.70 65.95 1zll h VAL 4 Cb 1.79 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 33.42 1zll h VAL 4 CO 0.20 0.32 0.56 1.56 0.02 0.00 0.00 177.57 180.23 1zll h GLN 5 N -0.94 0.00 0.09 1.57 4.20 -1.91 0.55 115.11 118.67 1zll h GLN 5 Ca -0.01 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.45 1zll h GLN 5 Cb 0.58 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.36 1zll h GLN 5 CO 0.01 0.00 -1.15 -0.92 -0.67 0.00 0.00 178.83 176.10 1zll h TYR 6 N 0.00 0.42 0.06 2.96 3.20 -1.48 -2.50 116.97 119.62 1zll h TYR 6 Ca 0.26 -0.29 -0.15 0.00 3.14 0.00 0.00 58.73 61.69 1zll h TYR 6 Cb 1.37 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 39.62 1zll h TYR 6 CO 0.00 1.21 -0.73 -0.07 -1.64 0.00 0.00 178.16 176.92 1zll h LEU 7 N 0.08 0.21 -1.06 2.82 3.38 0.26 -2.24 115.31 118.77 1zll h LEU 7 Ca -0.10 -0.88 -0.04 0.00 0.09 0.00 0.00 57.88 56.95 1zll h LEU 7 Cb 1.88 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 42.53 1zll h LEU 7 CO 0.18 1.32 0.25 0.74 0.09 0.00 0.00 178.44 181.03 1zll h THR 8 N -0.67 1.22 -0.03 0.22 2.02 -0.83 -1.94 112.91 112.90 1zll h THR 8 Ca -0.16 -0.70 -0.14 0.00 0.77 0.00 0.00 66.41 66.17 1zll h THR 8 Cb 1.39 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 68.26 1zll h THR 8 CO 0.02 0.28 -0.64 -0.09 0.37 0.00 0.00 175.52 175.46 1zll h ARG 9 N 0.91 0.12 -0.14 6.66 2.43 -1.53 -2.45 114.38 120.37 1zll h ARG 9 Ca 0.21 -0.09 -0.07 0.00 -0.81 0.00 0.00 59.98 59.23 1zll h ARG 9 Cb 0.18 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1zll h ARG 9 CO -0.02 0.72 -0.22 0.77 -1.51 0.00 0.00 179.97 179.71 1zll h SER 10 N 0.08 0.24 0.12 -3.80 0.02 -0.73 -2.34 113.55 107.14 1zll h SER 10 Ca -0.01 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 1zll h SER 10 Cb 1.15 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1zll h SER 10 CO 0.09 0.47 -0.06 0.00 -1.14 0.00 0.00 176.83 176.20 1zll h ALA 11 N 1.55 -0.20 -0.52 3.77 0.00 -1.15 -2.41 119.26 120.29 1zll h ALA 11 Ca 0.04 -0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.07 1zll h ALA 11 Cb 0.52 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1zll h ALA 11 CO 0.04 -0.19 0.75 0.82 0.00 0.00 0.00 179.25 180.67 1zll h ILE 12 N -0.77 0.15 0.23 0.00 2.04 -1.52 0.96 117.51 118.60 1zll h ILE 12 Ca -0.02 0.00 -0.33 0.00 1.00 0.00 0.00 64.86 65.51 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 -1.50 -0.09 0.00 0.00 0.00 178.15 176.58 1zll h ARG 13 N 0.00 0.48 -0.02 2.37 9.65 -1.44 -3.17 114.38 122.26 1zll h ARG 13 Ca 0.25 -0.83 0.00 0.00 -1.10 0.00 0.00 59.98 58.30 1zll h ARG 13 Cb 1.75 0.31 0.00 0.00 -1.39 0.00 0.00 29.97 30.63 1zll h ARG 13 CO -0.00 1.39 -0.15 2.89 2.80 0.00 0.00 179.97 186.90 1zll n ARG 14 N -3.67 1.49 -0.17 0.20 1.85 0.19 -3.92 116.66 112.62 1zll n ARG 14 Ca -0.17 -1.03 0.07 0.00 -1.00 0.00 0.00 57.85 55.71 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 0.14 2.26 1.27 2.89 0.00 0.28 -4.43 120.51 122.91 1zll n ALA 15 Ca 0.14 -1.07 0.08 0.00 0.00 0.00 0.00 53.44 52.60 1zll n ALA 15 Cb 0.42 -0.50 0.49 0.00 0.00 0.00 0.00 19.45 19.86 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 0.71 0.00 -1.60 0.00 3.41 -1.20 -2.23 113.62 112.71 1zll n SER 16 Ca 0.13 -0.75 -0.13 0.00 -0.26 0.00 0.00 58.87 57.86 1zll n SER 16 Cb 0.43 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.57 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 -0.91 2.83 -4.14 6.66 -2.24 -1.26 -4.97 114.28 110.24 1zll n THR 17 Ca 0.12 -2.55 -0.09 0.00 -2.27 0.00 0.00 64.05 59.26 1zll n THR 17 Cb 0.06 -0.44 -0.10 0.00 -2.10 0.00 0.00 70.33 67.75 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 0.17 -0.44 2.28 1.01 -0.94 -5.12 121.20 114.77 1zll s ILE 18 Ca 0.50 -1.90 0.05 0.00 0.00 0.00 0.00 60.65 59.30 1zll s ILE 18 Cb 0.44 -1.94 0.17 0.00 0.01 0.00 0.00 42.46 41.14 1zll s ILE 18 CO 0.03 -0.58 0.48 -1.61 0.00 0.00 0.00 174.94 173.26 1zll s GLU 19 N -4.01 0.91 -0.04 2.79 2.02 -1.26 -5.10 118.70 114.00 1zll s GLU 19 Ca 0.21 -1.51 -0.15 0.00 0.02 0.00 0.00 54.97 53.53 1zll s GLU 19 Cb 0.07 -0.82 0.03 0.00 0.10 0.00 0.00 34.13 33.51 1zll s GLU 19 CO -0.00 -1.33 0.33 -1.64 0.02 0.00 0.00 175.26 172.64 1zll s MET 20 N 0.60 0.63 0.00 1.61 -1.94 -1.26 -5.02 119.30 113.93 1zll s MET 20 Ca 0.29 -0.03 0.00 0.00 -1.71 0.00 0.00 55.69 54.23 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 -0.11 -0.16 0.87 -0.35 -0.01 0.00 0.00 175.02 175.25 1zll n PRO 21 N 1.59 0.62 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 1.04 -0.04 0.00 0.00 175.50 176.50 1zll n GLN 22 N 1.10 0.00 -0.29 0.54 1.13 -1.26 -3.92 117.38 114.68 1zll n GLN 22 Ca 0.00 0.00 0.28 0.00 -1.94 0.00 0.00 57.00 55.34 1zll n GLN 22 Cb 0.31 0.00 0.50 0.00 0.11 0.00 0.00 30.24 31.16 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 -0.00 -1.09 6.02 -1.26 0.21 117.38 121.22 1zll n GLN 23 Ca 0.00 1.09 -0.09 0.00 -0.01 0.00 0.00 57.00 57.99 1zll n GLN 23 Cb 0.00 -2.00 0.06 0.00 1.02 0.00 0.00 30.24 29.32 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 1.53 0.72 0.43 -1.58 0.00 -1.93 -1.41 119.26 117.02 1zll h ALA 24 Ca 0.69 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1zll h ALA 24 Cb 1.95 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.63 1zll h ALA 24 CO -0.56 0.68 -0.38 -0.09 0.00 0.00 0.00 179.25 178.91 1zll h ARG 25 N 0.44 -0.78 0.52 0.00 1.12 0.22 0.22 114.38 116.13 1zll h ARG 25 Ca 0.01 0.05 -0.03 0.00 -1.11 0.00 0.00 59.98 58.91 1zll h ARG 25 Cb 1.06 0.18 0.01 0.00 -0.01 0.00 0.00 29.97 31.20 1zll h ARG 25 CO 0.10 -0.52 -0.25 0.37 -3.11 0.00 0.00 179.97 176.56 1zll h GLN 26 N -0.81 -0.67 -0.90 0.20 4.15 -1.50 -2.48 115.11 113.09 1zll h GLN 26 Ca -0.04 0.05 0.14 0.00 0.77 0.00 0.00 58.65 59.57 1zll h GLN 26 Cb 0.71 0.15 -0.07 0.00 0.21 0.00 0.00 27.48 28.48 1zll h GLN 26 CO -0.03 -0.39 0.58 0.87 -1.93 0.00 0.00 178.83 177.93 1zll h LYS 27 N -0.86 0.69 -0.02 1.69 1.57 -1.23 -2.66 116.57 115.75 1zll h LYS 27 Ca -0.07 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1zll h LYS 27 Cb 0.60 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 1zll h LYS 27 CO 0.12 0.46 -0.02 -0.07 -0.57 0.00 0.00 179.45 179.37 1zll h LEU 28 N 0.71 0.06 -0.20 2.94 3.38 -0.42 0.12 115.31 121.89 1zll h LEU 28 Ca 0.46 -0.46 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1zll h LEU 28 Cb 0.72 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 1zll h LEU 28 CO -0.22 0.50 -0.05 1.56 0.09 0.00 0.00 178.44 180.33 1zll h GLN 29 N -0.39 0.00 0.37 1.13 1.08 -1.10 0.67 115.11 116.86 1zll h GLN 29 Ca 0.00 -0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.19 1zll h GLN 29 Cb 0.49 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 1zll h GLN 29 CO 0.00 0.00 -0.18 -2.95 -0.95 0.00 0.00 178.83 174.76 1zll h ASN 30 N 0.00 -0.42 -0.89 1.46 -1.07 -1.56 -2.62 115.58 110.49 1zll h ASN 30 Ca 0.10 -0.11 0.14 0.00 0.07 0.00 0.00 56.30 56.50 1zll h ASN 30 Cb 0.15 0.11 -0.07 0.00 -2.07 0.00 0.00 38.32 36.43 1zll h ASN 30 CO -0.20 0.03 0.58 -0.07 0.07 0.00 0.00 177.43 177.83 1zll h LEU 31 N -1.03 0.66 0.63 6.14 3.38 -0.74 -2.59 115.31 121.76 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 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.16 1zll h LEU 31 CO 0.08 0.33 -0.30 0.15 0.09 0.00 0.00 178.44 178.79 1zll h PHE 32 N 0.70 -0.79 -0.78 1.13 3.57 0.35 0.20 116.94 121.32 1zll h PHE 32 Ca 0.45 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 62.02 1zll h PHE 32 Cb 0.72 0.26 -0.12 0.00 2.79 0.00 0.00 35.95 39.60 1zll h PHE 32 CO -0.00 -0.49 -0.51 0.82 -2.23 0.00 0.00 178.31 175.89 1zll h ILE 33 N -0.88 0.02 -1.00 1.41 2.04 -1.10 0.82 117.51 118.82 1zll h ILE 33 Ca -0.09 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.88 1zll h ILE 33 Cb 0.65 0.02 -0.08 0.00 -0.74 0.00 0.00 36.82 36.67 1zll h ILE 33 CO 0.14 0.00 0.63 -0.55 0.00 0.00 0.00 178.15 178.38 1zll h ASN 34 N -0.13 0.94 -0.50 1.72 7.08 -1.46 0.21 115.58 123.43 1zll h ASN 34 Ca 0.18 0.04 -0.03 0.00 -3.08 0.00 0.00 56.30 53.41 1zll h ASN 34 Cb 0.52 -0.15 -0.03 0.00 -2.08 0.00 0.00 38.32 36.58 1zll h ASN 34 CO -0.82 0.52 0.22 0.15 -2.08 0.00 0.00 177.43 175.42 1zll h PHE 35 N 1.02 0.78 0.15 4.14 3.04 0.25 -2.70 116.94 123.63 1zll h PHE 35 Ca 0.48 -0.04 -0.01 0.00 3.98 0.00 0.00 57.97 62.38 1zll h PHE 35 Cb 0.42 -0.24 0.00 0.00 2.56 0.00 0.00 35.95 38.69 1zll h PHE 35 CO -0.00 0.60 -0.07 0.00 -2.02 0.00 0.00 178.31 176.82 1zll h LEU 37 N -0.32 -0.53 -1.00 0.00 -0.00 -1.04 0.27 115.31 112.69 1zll h LEU 37 Ca -0.02 0.14 -0.07 0.00 -0.00 0.00 0.00 57.88 57.94 1zll h LEU 37 Cb 0.25 0.32 -0.02 0.00 -0.00 0.00 0.00 40.66 41.21 1zll h LEU 37 CO 0.03 -0.19 -0.00 0.40 -0.00 0.00 0.00 178.44 178.68 1zll h ILE 38 N -0.06 1.23 0.01 1.22 2.04 -1.31 -2.07 117.51 118.57 1zll h ILE 38 Ca 0.21 -0.95 -0.00 0.00 1.00 0.00 0.00 64.86 65.12 1zll h ILE 38 Cb 0.38 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 1zll h ILE 38 CO -0.47 0.33 -0.01 0.25 0.00 0.00 0.00 178.15 178.25 1zll h LEU 39 N 0.67 -0.02 -1.77 1.44 5.85 0.15 -2.18 115.31 119.45 1zll h LEU 39 Ca 0.13 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1zll h LEU 39 Cb 0.42 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1zll h LEU 39 CO 0.02 0.20 0.15 0.40 -0.34 0.00 0.00 178.44 178.86 1zll h ILE 40 N -0.23 1.06 0.15 4.05 2.04 -0.45 -1.63 117.51 122.50 1zll h ILE 40 Ca -0.00 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 1zll h ILE 40 Cb 0.22 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 1zll h ILE 40 CO 0.00 0.06 -0.07 0.00 0.00 0.00 0.00 178.15 178.14 1zll h LEU 42 N -0.28 0.00 0.25 0.00 4.07 -1.35 -1.44 115.31 116.56 1zll h LEU 42 Ca -0.02 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.93 1zll h LEU 42 Cb 0.15 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.89 1zll h LEU 42 CO 0.03 0.00 -0.12 -0.07 -1.08 0.00 0.00 178.44 177.20 1zll h LEU 43 N 0.00 -0.29 -0.98 1.67 3.38 -1.02 -2.31 115.31 115.76 1zll h LEU 43 Ca 0.58 0.01 0.31 0.00 0.09 0.00 0.00 57.88 58.87 1zll h LEU 43 Cb 2.60 0.07 -0.15 0.00 0.09 0.00 0.00 40.66 43.28 1zll h LEU 43 CO -0.01 -0.12 0.51 -0.07 0.09 0.00 0.00 178.44 178.85 1zll h LEU 44 N -0.52 0.43 -0.55 1.67 3.38 -0.52 0.57 115.31 119.78 1zll h LEU 44 Ca -0.03 0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1zll h LEU 44 Cb 0.26 0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1zll h LEU 44 CO 0.06 -0.13 0.32 0.40 0.09 0.00 0.00 178.44 179.17 1zll h ILE 45 N 0.31 1.18 0.49 1.22 2.04 -1.39 -1.72 117.51 119.64 1zll h ILE 45 Ca 0.70 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 66.12 1zll h ILE 45 Cb 1.57 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 1zll h ILE 45 CO -0.61 0.19 -0.46 0.00 0.00 0.00 0.00 178.15 177.26 1zll h ILE 47 N -0.95 0.36 0.14 0.00 2.04 -1.24 -0.68 117.51 117.17 1zll h ILE 47 Ca -0.05 -0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.82 1zll h ILE 47 Cb 0.83 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 1zll h ILE 47 CO -0.05 0.00 -0.27 0.40 0.00 0.00 0.00 178.15 178.23 1zll h ILE 48 N 0.00 0.42 -0.68 -0.67 2.04 -0.76 -0.49 117.51 117.37 1zll h ILE 48 Ca 0.31 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.37 1zll h ILE 48 Cb 0.47 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 1zll h ILE 48 CO -0.66 0.00 0.65 0.58 0.00 0.00 0.00 178.15 178.72 1zll h VAL 49 N -0.49 0.34 0.09 1.67 2.07 0.39 0.21 116.25 120.54 1zll h VAL 49 Ca 0.03 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 67.28 1zll h VAL 49 Cb 0.50 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1zll h VAL 49 CO -0.14 0.00 -1.23 0.24 0.02 0.00 0.00 177.57 176.46 1zll h MET 50 N 0.00 0.20 -0.10 1.57 2.86 -0.34 -3.29 114.93 115.82 1zll h MET 50 Ca 0.32 -0.33 -0.15 0.00 -2.06 0.00 0.00 59.70 57.48 1zll h MET 50 Cb 1.62 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 33.39 1zll h MET 50 CO -0.00 1.14 -0.60 -0.07 1.06 0.00 0.00 176.91 178.44 1zll h LEU 51 N 0.05 0.39 0.00 1.22 3.38 -0.02 -3.52 115.31 116.81 1zll h LEU 51 Ca -0.12 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1zll h LEU 51 Cb 1.93 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.57 1zll h LEU 51 CO 0.18 0.90 0.00 0.18 0.09 0.00 0.00 178.44 179.79