#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nfy s LYS -1 N 0.00 2.03 0.00 5.56 -2.85 -1.26 -4.56 119.74 118.67 1nfy s LYS -1 Ca 0.00 -1.55 0.00 0.00 -1.00 0.00 0.00 55.97 53.42 1nfy s LYS -1 Cb 0.00 -2.00 0.00 0.00 -2.06 0.00 0.00 37.83 33.77 1nfy s LYS -1 CO 0.00 0.35 0.00 1.28 0.10 0.00 0.00 175.35 177.08 1nfy n LEU 0 N -0.73 0.00 0.12 2.77 4.32 -1.26 0.12 117.00 122.34 1nfy n LEU 0 Ca -0.06 0.00 0.10 0.00 -0.02 0.00 0.00 56.01 56.02 1nfy n LEU 0 Cb 0.59 0.00 0.47 0.00 -1.62 0.00 0.00 43.42 42.86 1nfy n LEU 0 CO 0.39 0.00 0.79 0.00 -1.22 0.00 0.00 177.39 177.35 1nfy n SER 2 N -2.10 0.51 -4.29 0.00 7.64 0.33 -3.20 113.62 112.50 1nfy n SER 2 Ca 0.00 -0.04 -0.45 0.00 1.01 0.00 0.00 58.87 59.39 1nfy n SER 2 Cb 0.10 0.13 -0.04 0.00 -1.01 0.00 0.00 64.21 63.38 1nfy n SER 2 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1nfy s LEU 3 N -3.40 6.30 -1.39 -3.43 0.20 -0.14 -4.60 118.68 112.23 1nfy s LEU 3 Ca 0.10 -2.31 -0.04 0.00 0.69 0.00 0.00 54.13 52.57 1nfy s LEU 3 Cb 0.16 -2.15 0.02 0.00 -0.43 0.00 0.00 46.19 43.80 1nfy s LEU 3 CO 0.69 -0.66 0.70 -0.67 -0.29 0.00 0.00 176.35 176.11 1nfy n ASP 4 N 4.46 -1.79 -2.00 3.68 2.03 -1.26 -1.58 116.55 120.09 1nfy n ASP 4 Ca 0.01 -0.86 -0.17 0.00 0.52 0.00 0.00 54.79 54.29 1nfy n ASP 4 Cb 0.43 -3.74 -0.04 0.00 -0.72 0.00 0.00 41.12 37.05 1nfy n ASP 4 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1nfy n ASN 5 N -2.98 -4.83 -0.74 1.67 5.15 -1.19 -1.36 115.26 110.98 1nfy n ASN 5 Ca -0.22 0.23 -0.10 0.00 -0.60 0.00 0.00 54.58 53.90 1nfy n ASN 5 Cb 0.64 -4.18 -0.04 0.00 -0.53 0.00 0.00 39.78 35.67 1nfy n ASN 5 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1nfy n GLY 6 N -0.65 0.98 2.17 8.20 0.00 -0.61 -1.50 105.19 113.77 1nfy n GLY 6 Ca -0.19 -0.08 -0.01 0.00 0.00 0.00 0.00 46.02 45.74 1nfy n GLY 6 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1nfy n ASP 7 N -0.89 -3.53 -4.84 1.61 2.03 -0.46 -4.96 116.55 105.50 1nfy n ASP 7 Ca -0.10 0.02 -0.32 0.00 0.52 0.00 0.00 54.79 54.91 1nfy n ASP 7 Cb 0.52 -1.09 -0.05 0.00 -0.72 0.00 0.00 41.12 39.78 1nfy n ASP 7 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1nfy h ASP 9 N 1.59 0.86 0.00 0.00 5.19 -1.68 -3.47 116.42 118.90 1nfy h ASP 9 Ca -0.48 -0.70 0.00 0.00 -0.62 0.00 0.00 57.03 55.23 1nfy h ASP 9 Cb 1.18 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 40.43 1nfy h ASP 9 CO 0.63 1.44 0.00 0.00 -3.12 0.00 0.00 179.24 178.18 1nfy n GLN 10 N -3.96 0.00 -1.82 3.56 6.02 -1.26 -5.00 117.38 114.92 1nfy n GLN 10 Ca -0.10 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.48 1nfy n GLN 10 Cb 0.80 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 32.04 1nfy n GLN 10 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1nfy s PHE 11 N 2.41 2.74 -0.08 1.08 0.08 -0.85 -4.89 117.98 118.47 1nfy s PHE 11 Ca 0.00 0.94 0.01 0.00 0.12 0.00 0.00 56.93 58.00 1nfy s PHE 11 Cb 0.00 -4.02 0.02 0.00 -0.57 0.00 0.00 43.02 38.45 1nfy s PHE 11 CO 0.00 -3.26 -0.08 0.00 -0.10 0.00 0.00 175.22 171.78 1nfy s HIS 13 N 1.14 1.73 -0.34 0.00 3.76 -0.20 -4.98 115.29 116.41 1nfy s HIS 13 Ca -0.06 -0.39 -0.07 0.00 -0.15 0.00 0.00 55.06 54.39 1nfy s HIS 13 Cb -0.14 -1.00 0.04 0.00 1.11 0.00 0.00 32.58 32.59 1nfy s HIS 13 CO -0.01 0.13 0.10 -1.21 -0.85 0.00 0.00 174.74 172.90 1nfy s GLU 14 N -1.47 2.67 -0.06 1.40 2.02 -1.26 0.46 118.70 122.46 1nfy s GLU 14 Ca 0.06 -1.15 0.06 0.00 0.02 0.00 0.00 54.97 53.97 1nfy s GLU 14 Cb -0.09 -3.46 -0.01 0.00 0.10 0.00 0.00 34.13 30.67 1nfy s GLU 14 CO 0.03 -0.64 -0.25 -1.83 0.02 0.00 0.00 175.26 172.59 1nfy s GLU 15 N 1.42 2.53 -1.53 1.61 -1.05 0.96 -4.69 118.70 117.94 1nfy s GLU 15 Ca -0.01 -0.89 -0.15 0.00 -0.15 0.00 0.00 54.97 53.77 1nfy s GLU 15 Cb -0.19 -2.14 0.12 0.00 -0.44 0.00 0.00 34.13 31.48 1nfy s GLU 15 CO 0.03 0.37 0.75 1.04 0.95 0.00 0.00 175.26 178.40 1nfy n GLN 16 N 2.97 -3.81 -0.93 -4.83 6.02 -1.26 0.79 117.38 116.32 1nfy n GLN 16 Ca -0.17 0.46 0.00 0.00 -0.01 0.00 0.00 57.00 57.27 1nfy n GLN 16 Cb 0.52 -5.22 0.00 0.00 1.02 0.00 0.00 30.24 26.56 1nfy n GLN 16 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1nfy n ASN 17 N -2.58 -3.03 -4.70 1.08 4.05 -1.26 -4.99 115.26 103.83 1nfy n ASN 17 Ca 0.04 0.00 -0.24 0.00 0.45 0.00 0.00 54.58 54.83 1nfy n ASN 17 Cb 0.51 -1.64 -0.07 0.00 1.23 0.00 0.00 39.78 39.82 1nfy n ASN 17 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 1nfy s SER 18 N -2.17 4.89 -0.05 1.20 0.15 0.24 -4.99 113.70 112.96 1nfy s SER 18 Ca 0.00 -0.44 -0.18 0.00 0.70 0.00 0.00 55.95 56.04 1nfy s SER 18 Cb 0.00 -1.06 -0.05 0.00 -1.71 0.00 0.00 66.02 63.20 1nfy s SER 18 CO 0.00 0.03 0.48 -0.69 1.20 0.00 0.00 173.24 174.26 1nfy s VAL 19 N -2.02 5.07 -0.14 4.45 1.01 -1.26 -0.03 120.40 127.48 1nfy s VAL 19 Ca 0.30 0.98 -0.01 0.00 0.00 0.00 0.00 61.98 63.25 1nfy s VAL 19 Cb -0.08 -3.81 0.04 0.00 0.00 0.00 0.00 36.38 32.53 1nfy s VAL 19 CO 0.21 0.43 -0.05 0.54 0.00 0.00 0.00 175.10 176.22 1nfy s VAL 20 N -0.10 0.99 0.32 2.92 0.11 0.17 -4.91 120.40 119.90 1nfy s VAL 20 Ca 0.26 -0.45 -0.05 0.00 -2.93 0.00 0.00 61.98 58.81 1nfy s VAL 20 Cb -0.16 -1.13 -0.05 0.00 -1.53 0.00 0.00 36.38 33.51 1nfy s VAL 20 CO 0.13 0.20 0.59 0.00 -3.33 0.00 0.00 175.10 172.69 1nfy s SER 22 N -3.35 0.01 0.29 0.00 1.04 -0.63 -4.95 113.70 106.12 1nfy s SER 22 Ca 0.44 -0.96 0.02 0.00 0.48 0.00 0.00 55.95 55.94 1nfy s SER 22 Cb -0.10 0.66 -0.06 0.00 0.10 0.00 0.00 66.02 66.62 1nfy s SER 22 CO 0.32 -1.27 0.08 0.00 0.98 0.00 0.00 173.24 173.35 1nfy s ALA 24 N -3.54 2.47 0.26 0.00 0.00 -1.26 -4.91 121.76 114.77 1nfy s ALA 24 Ca 0.37 -0.03 -0.31 0.00 0.00 0.00 0.00 51.96 51.99 1nfy s ALA 24 Cb 0.08 -3.15 -0.12 0.00 0.00 0.00 0.00 23.12 19.93 1nfy s ALA 24 CO 0.15 -1.47 1.62 0.54 0.00 0.00 0.00 175.76 176.60 1nfy n ARG 25 N -3.28 2.63 0.00 0.00 1.74 -1.26 -1.96 116.66 114.53 1nfy n ARG 25 Ca 0.07 0.94 0.00 0.00 -0.77 0.00 0.00 57.85 58.09 1nfy n ARG 25 Cb 0.55 -2.73 0.00 0.00 -1.02 0.00 0.00 32.46 29.26 1nfy n ARG 25 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nfy n GLY 26 N 2.75 0.51 3.26 -0.13 0.00 -1.26 -4.68 105.19 105.64 1nfy n GLY 26 Ca 0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.94 1nfy n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nfy s TYR 27 N -2.00 1.52 -0.01 1.61 1.51 -0.83 0.39 117.35 119.55 1nfy s TYR 27 Ca 0.00 -0.52 0.06 0.00 -1.01 0.00 0.00 57.07 55.60 1nfy s TYR 27 Cb 0.00 -0.79 -0.01 0.00 -0.11 0.00 0.00 41.96 41.04 1nfy s TYR 27 CO 0.00 0.19 -0.19 0.95 -1.11 0.00 0.00 175.55 175.39 1nfy s THR 28 N -2.00 1.48 0.26 -0.71 -4.23 0.13 -4.76 115.64 105.81 1nfy s THR 28 Ca 0.10 -0.80 -0.30 0.00 -1.18 0.00 0.00 61.69 59.51 1nfy s THR 28 Cb -0.06 -1.23 -0.11 0.00 1.34 0.00 0.00 72.50 72.45 1nfy s THR 28 CO 0.04 0.42 1.50 -0.22 -0.54 0.00 0.00 174.62 175.82 1nfy s LEU 29 N -0.43 4.37 0.89 4.79 2.96 -1.26 -0.31 118.68 129.68 1nfy s LEU 29 Ca 0.07 2.77 -0.12 0.00 -0.22 0.00 0.00 54.13 56.63 1nfy s LEU 29 Cb -0.07 -3.63 0.13 0.00 0.50 0.00 0.00 46.19 43.12 1nfy s LEU 29 CO -0.01 -0.79 1.11 0.00 -1.32 0.00 0.00 176.35 175.35 1nfy s ALA 30 N 0.06 1.76 0.51 5.97 0.00 0.33 -4.86 121.76 125.53 1nfy s ALA 30 Ca 0.61 -0.36 0.21 0.00 0.00 0.00 0.00 51.96 52.42 1nfy s ALA 30 Cb -0.44 -3.08 1.29 0.00 0.00 0.00 0.00 23.12 20.89 1nfy s ALA 30 CO 0.44 -2.22 2.03 -0.44 0.00 0.00 0.00 175.76 175.57 1nfy h ASP 31 N -1.45 0.08 0.00 0.00 3.32 -1.94 0.29 116.42 116.72 1nfy h ASP 31 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1nfy h ASP 31 Cb 1.31 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.84 1nfy h ASP 31 CO 0.60 0.04 0.00 -0.46 -1.72 0.00 0.00 179.24 177.70 1nfy n ASN 32 N -4.43 0.00 -0.65 6.45 0.23 -1.26 -4.88 115.26 110.72 1nfy n ASN 32 Ca 0.07 -0.97 -0.08 0.00 -0.53 0.00 0.00 54.58 53.07 1nfy n ASN 32 Cb 0.44 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.10 1nfy n ASN 32 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1nfy n GLY 33 N 0.60 0.87 1.06 4.83 0.00 0.10 -4.75 105.19 107.91 1nfy n GLY 33 Ca 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1nfy n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nfy n LYS 34 N -1.01 0.00 -1.72 1.61 5.02 -1.26 -4.22 118.16 116.58 1nfy n LYS 34 Ca -0.08 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.88 1nfy n LYS 34 Cb 0.50 -0.41 0.05 0.00 -0.02 0.00 0.00 35.03 35.14 1nfy n LYS 34 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nfy s ALA 35 N -1.89 2.54 -0.19 7.82 0.00 -1.26 -1.81 121.76 126.97 1nfy s ALA 35 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.35 1nfy s ALA 35 Cb 0.00 -3.27 0.01 0.00 0.00 0.00 0.00 23.12 19.87 1nfy s ALA 35 CO 0.00 -1.22 -0.17 0.00 0.00 0.00 0.00 175.76 174.37 1nfy s ILE 37 N 1.29 4.72 0.35 0.00 -1.09 0.58 -4.86 121.20 122.19 1nfy s ILE 37 Ca 0.04 -0.05 -0.29 0.00 -2.23 0.00 0.00 60.65 58.13 1nfy s ILE 37 Cb -0.13 -3.16 -0.11 0.00 -1.58 0.00 0.00 42.46 37.48 1nfy s ILE 37 CO -0.10 0.41 1.53 -2.65 -1.23 0.00 0.00 174.94 172.90 1nfy n PRO 38 N 3.99 2.70 0.02 2.79 -0.02 -1.26 0.17 135.00 143.39 1nfy n PRO 38 Ca -0.16 0.95 -0.20 0.00 -2.02 0.00 0.00 63.50 62.07 1nfy n PRO 38 Cb 0.52 -2.70 -0.10 0.00 -0.02 0.00 0.00 33.50 31.20 1nfy n PRO 38 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1nfy h THR 39 N 3.10 1.28 -0.45 3.45 2.02 -0.40 -3.45 112.91 118.46 1nfy h THR 39 Ca -0.49 -2.17 0.00 0.00 0.77 0.00 0.00 66.41 64.51 1nfy h THR 39 Cb 1.24 2.29 0.00 0.00 -1.74 0.00 0.00 68.15 69.93 1nfy h THR 39 CO 0.69 0.68 0.00 0.61 0.37 0.00 0.00 175.52 177.87 1nfy n GLY 40 N 0.99 4.41 3.78 2.16 0.00 -1.26 -5.10 105.19 110.17 1nfy n GLY 40 Ca -0.10 -0.98 -0.37 0.00 0.00 0.00 0.00 46.02 44.57 1nfy n GLY 40 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1nfy s PRO 41 N 1.55 4.09 -1.12 1.61 0.02 -1.26 -4.12 135.00 135.77 1nfy s PRO 41 Ca 0.00 1.62 -0.18 0.00 0.02 0.00 0.00 61.00 62.46 1nfy s PRO 41 Cb 0.00 -2.56 -0.02 0.00 0.02 0.00 0.00 34.50 31.94 1nfy s PRO 41 CO 0.00 -0.23 0.82 0.66 -0.33 0.00 0.00 177.00 177.92 1nfy n TYR 42 N -0.07 -2.00 -1.41 6.54 4.01 -1.26 -4.96 117.16 118.00 1nfy n TYR 42 Ca 0.05 0.52 -0.32 0.00 -0.16 0.00 0.00 57.90 57.99 1nfy n TYR 42 Cb 0.49 -3.56 0.08 0.00 -0.31 0.00 0.00 39.34 36.03 1nfy n TYR 42 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1nfy s PRO 43 N -5.71 2.38 0.74 -0.72 0.04 -1.26 -4.96 135.00 125.52 1nfy s PRO 43 Ca 0.47 1.29 -0.15 0.00 0.04 0.00 0.00 61.00 62.65 1nfy s PRO 43 Cb -0.15 -1.90 0.05 0.00 0.04 0.00 0.00 34.50 32.53 1nfy s PRO 43 CO 0.84 -1.56 1.20 0.00 0.04 0.00 0.00 177.00 177.52 1nfy n GLY 45 N 0.36 0.40 3.50 0.00 0.00 -1.26 -5.00 105.19 103.20 1nfy n GLY 45 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 1nfy n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nfy s LYS 46 N -0.69 3.53 0.40 1.61 -0.14 -1.23 -5.09 119.74 118.14 1nfy s LYS 46 Ca 0.00 -0.53 -0.25 0.00 -1.36 0.00 0.00 55.97 53.82 1nfy s LYS 46 Cb 0.00 -2.85 -0.08 0.00 -1.68 0.00 0.00 37.83 33.22 1nfy s LYS 46 CO 0.00 0.30 1.20 -0.65 -0.76 0.00 0.00 175.35 175.44 1nfy s GLN 47 N 0.18 4.02 0.00 1.68 -0.21 -1.26 -4.93 119.66 119.15 1nfy s GLN 47 Ca -0.02 1.91 -0.25 0.00 0.02 0.00 0.00 55.36 57.02 1nfy s GLN 47 Cb -0.14 -2.69 -0.05 0.00 1.00 0.00 0.00 33.01 31.14 1nfy s GLN 47 CO 0.03 -0.36 0.75 0.95 -2.12 0.00 0.00 175.29 174.54 1nfy s THR 48 N -1.38 4.85 -1.65 -0.19 -4.23 -1.26 -4.95 115.64 106.83 1nfy s THR 48 Ca 0.57 1.58 0.14 0.00 -1.18 0.00 0.00 61.69 62.80 1nfy s THR 48 Cb -0.32 -4.09 0.09 0.00 1.34 0.00 0.00 72.50 69.51 1nfy s THR 48 CO 0.41 0.32 0.91 0.18 -0.54 0.00 0.00 174.62 175.89 1nfy n LEU 49 N 3.18 2.02 0.00 4.79 4.77 -1.26 -5.28 117.00 125.22 1nfy n LEU 49 Ca -0.02 -0.95 0.00 0.00 -0.03 0.00 0.00 56.01 55.01 1nfy n LEU 49 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1nfy n LEU 49 CO 0.47 0.37 0.00 -1.84 -1.33 0.00 0.00 177.39 175.06