#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f0s n SER 2 N -1.69 0.39 -4.28 0.00 7.64 -1.26 -3.24 113.62 111.17 1f0s n SER 2 Ca 0.03 -0.04 -0.44 0.00 1.01 0.00 0.00 58.87 59.43 1f0s n SER 2 Cb 0.16 0.05 -0.07 0.00 -1.01 0.00 0.00 64.21 63.34 1f0s n SER 2 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1f0s s LEU 3 N -3.07 5.91 -1.59 -3.43 0.20 -0.13 -4.62 118.68 111.95 1f0s s LEU 3 Ca 0.12 -1.76 -0.13 0.00 0.69 0.00 0.00 54.13 53.04 1f0s s LEU 3 Cb 0.18 -2.13 0.10 0.00 -0.43 0.00 0.00 46.19 43.91 1f0s s LEU 3 CO 0.66 -0.77 0.76 -0.67 -0.29 0.00 0.00 176.35 176.04 1f0s n ASP 4 N 5.12 -3.02 -1.86 3.68 2.03 -1.26 -0.97 116.55 120.26 1f0s n ASP 4 Ca -0.12 -0.95 -0.20 0.00 0.52 0.00 0.00 54.79 54.05 1f0s n ASP 4 Cb 0.41 -3.14 -0.06 0.00 -0.72 0.00 0.00 41.12 37.61 1f0s n ASP 4 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1f0s n ASN 5 N -2.78 -5.31 -0.16 1.67 5.15 -1.20 -1.88 115.26 110.75 1f0s n ASN 5 Ca -0.02 0.32 -0.02 0.00 -0.60 0.00 0.00 54.58 54.26 1f0s n ASN 5 Cb 0.54 -4.61 -0.01 0.00 -0.53 0.00 0.00 39.78 35.17 1f0s n ASN 5 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1f0s n GLY 6 N -0.58 0.40 2.20 8.20 0.00 -0.14 -2.06 105.19 113.21 1f0s n GLY 6 Ca -0.21 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1f0s n GLY 6 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1f0s n ASP 7 N -0.48 -2.66 -4.84 1.61 2.03 -0.79 -4.98 116.55 106.45 1f0s n ASP 7 Ca -0.02 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.97 1f0s n ASP 7 Cb 0.31 -0.56 -0.03 0.00 -0.72 0.00 0.00 41.12 40.12 1f0s n ASP 7 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1f0s h ASP 9 N 0.86 0.63 0.00 0.00 5.19 -1.73 -3.47 116.42 117.90 1f0s h ASP 9 Ca -0.47 -0.64 0.00 0.00 -0.62 0.00 0.00 57.03 55.30 1f0s h ASP 9 Cb 1.19 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.50 1f0s h ASP 9 CO 0.61 1.49 0.00 0.00 -3.12 0.00 0.00 179.24 178.22 1f0s n GLN 10 N -3.65 0.00 -1.76 3.56 6.02 -1.26 -5.01 117.38 115.29 1f0s n GLN 10 Ca -0.12 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.46 1f0s n GLN 10 Cb 1.02 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 32.28 1f0s n GLN 10 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1f0s n PHE 11 N 0.00 2.88 -4.29 1.08 3.72 -0.98 -4.90 117.46 114.98 1f0s n PHE 11 Ca 0.00 0.40 -0.21 0.00 -0.05 0.00 0.00 57.45 57.60 1f0s n PHE 11 Cb 0.00 -2.54 -0.16 0.00 -0.94 0.00 0.00 39.48 35.84 1f0s n PHE 11 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1f0s s HIS 13 N 0.72 0.69 -0.55 0.00 2.46 -0.62 -4.99 115.29 113.01 1f0s s HIS 13 Ca -0.11 -0.15 -0.17 0.00 0.47 0.00 0.00 55.06 55.10 1f0s s HIS 13 Cb -0.14 -0.44 0.12 0.00 -0.13 0.00 0.00 32.58 31.99 1f0s s HIS 13 CO 0.01 -0.01 0.54 -1.21 -2.47 0.00 0.00 174.74 171.60 1f0s s GLU 14 N -0.27 3.01 -0.08 2.88 2.02 -1.26 -0.61 118.70 124.39 1f0s s GLU 14 Ca 0.02 -1.56 -0.01 0.00 0.02 0.00 0.00 54.97 53.44 1f0s s GLU 14 Cb -0.03 -4.27 -0.03 0.00 0.10 0.00 0.00 34.13 29.89 1f0s s GLU 14 CO -0.00 -1.35 -0.01 -2.00 0.02 0.00 0.00 175.26 171.92 1f0s s GLU 15 N 1.90 2.94 -1.67 1.61 2.12 0.36 -4.62 118.70 121.35 1f0s s GLU 15 Ca 0.06 -0.44 -0.08 0.00 0.36 0.00 0.00 54.97 54.87 1f0s s GLU 15 Cb -0.28 -2.76 0.08 0.00 0.26 0.00 0.00 34.13 31.44 1f0s s GLU 15 CO 0.04 0.69 0.22 1.04 -0.54 0.00 0.00 175.26 176.71 1f0s n GLN 16 N 2.11 -0.90 -2.05 4.30 3.00 -1.26 0.13 117.38 122.71 1f0s n GLN 16 Ca -0.18 0.11 -0.17 0.00 -0.01 0.00 0.00 57.00 56.75 1f0s n GLN 16 Cb 0.53 -3.99 -0.03 0.00 0.00 0.00 0.00 30.24 26.75 1f0s n GLN 16 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1f0s n ASN 17 N -2.74 -5.02 -4.33 1.08 4.05 -1.26 -4.99 115.26 102.05 1f0s n ASN 17 Ca -0.17 0.13 -0.17 0.00 0.45 0.00 0.00 54.58 54.82 1f0s n ASN 17 Cb 0.61 -4.08 -0.10 0.00 1.23 0.00 0.00 39.78 37.44 1f0s n ASN 17 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 1f0s s SER 18 N -2.43 1.45 -0.17 1.20 0.15 0.34 -5.13 113.70 109.10 1f0s s SER 18 Ca 0.00 -1.34 -0.05 0.00 0.70 0.00 0.00 55.95 55.26 1f0s s SER 18 Cb 0.00 0.10 -0.03 0.00 -1.71 0.00 0.00 66.02 64.38 1f0s s SER 18 CO 0.00 -0.67 0.01 -0.69 1.20 0.00 0.00 173.24 173.09 1f0s s VAL 19 N -3.63 4.31 -0.08 4.45 1.01 -1.26 -0.48 120.40 124.71 1f0s s VAL 19 Ca 0.35 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.14 1f0s s VAL 19 Cb 0.07 -2.92 0.01 0.00 0.00 0.00 0.00 36.38 33.55 1f0s s VAL 19 CO 0.12 0.48 -0.14 -0.69 0.00 0.00 0.00 175.10 174.87 1f0s s VAL 20 N 0.39 1.31 0.14 2.92 1.01 0.22 -4.93 120.40 121.45 1f0s s VAL 20 Ca -0.01 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.41 1f0s s VAL 20 Cb -0.13 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 1f0s s VAL 20 CO 0.02 0.40 0.31 0.00 0.00 0.00 0.00 175.10 175.82 1f0s s SER 22 N -2.98 0.14 0.22 0.00 1.04 -0.90 -4.92 113.70 106.31 1f0s s SER 22 Ca 0.36 -1.09 0.02 0.00 0.48 0.00 0.00 55.95 55.73 1f0s s SER 22 Cb -0.12 0.61 -0.05 0.00 0.10 0.00 0.00 66.02 66.57 1f0s s SER 22 CO 0.28 -1.20 0.02 0.00 0.98 0.00 0.00 173.24 173.33 1f0s s ALA 24 N -3.59 2.26 0.19 0.00 0.00 -1.26 -4.89 121.76 114.47 1f0s s ALA 24 Ca 0.29 0.09 -0.33 0.00 0.00 0.00 0.00 51.96 52.02 1f0s s ALA 24 Cb 0.06 -3.21 -0.13 0.00 0.00 0.00 0.00 23.12 19.85 1f0s s ALA 24 CO 0.08 -1.70 1.64 -2.13 0.00 0.00 0.00 175.76 173.66 1f0s n ARG 25 N -3.46 2.46 0.00 0.00 0.63 -1.26 -1.93 116.66 113.10 1f0s n ARG 25 Ca 0.08 0.89 0.00 0.00 -0.92 0.00 0.00 57.85 57.90 1f0s n ARG 25 Cb 0.54 -2.69 0.00 0.00 0.45 0.00 0.00 32.46 30.76 1f0s n ARG 25 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1f0s n GLY 26 N 3.59 0.65 3.31 5.14 0.00 -1.26 -4.73 105.19 111.90 1f0s n GLY 26 Ca 0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 1f0s n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1f0s s TYR 27 N -2.00 1.66 -0.06 1.61 1.51 -0.81 -0.14 117.35 119.12 1f0s s TYR 27 Ca 0.00 -0.54 0.03 0.00 -1.01 0.00 0.00 57.07 55.55 1f0s s TYR 27 Cb 0.00 -0.81 0.00 0.00 -0.11 0.00 0.00 41.96 41.04 1f0s s TYR 27 CO 0.00 0.29 -0.15 0.95 -1.11 0.00 0.00 175.55 175.53 1f0s s THR 28 N -2.50 1.34 0.14 -0.71 -4.23 0.26 -4.82 115.64 105.12 1f0s s THR 28 Ca 0.17 -0.63 -0.31 0.00 -1.18 0.00 0.00 61.69 59.74 1f0s s THR 28 Cb -0.03 -1.18 -0.10 0.00 1.34 0.00 0.00 72.50 72.53 1f0s s THR 28 CO 0.06 0.39 1.70 -0.22 -0.54 0.00 0.00 174.62 176.01 1f0s s LEU 29 N 0.33 4.38 1.19 4.79 2.96 -1.26 0.53 118.68 131.59 1f0s s LEU 29 Ca -0.10 2.70 -0.14 0.00 -0.22 0.00 0.00 54.13 56.37 1f0s s LEU 29 Cb -0.14 -3.58 0.29 0.00 0.50 0.00 0.00 46.19 43.27 1f0s s LEU 29 CO 0.03 -0.93 1.02 0.00 -1.32 0.00 0.00 176.35 175.16 1f0s s ALA 30 N 1.92 -0.51 0.41 5.97 0.00 0.20 -4.83 121.76 124.93 1f0s s ALA 30 Ca 0.75 -0.25 0.32 0.00 0.00 0.00 0.00 51.96 52.78 1f0s s ALA 30 Cb -0.45 -3.20 1.62 0.00 0.00 0.00 0.00 23.12 21.09 1f0s s ALA 30 CO 0.33 -3.91 2.12 -0.44 0.00 0.00 0.00 175.76 173.86 1f0s h ASP 31 N -2.69 0.00 -0.10 0.00 5.19 -1.93 -1.14 116.42 115.75 1f0s h ASP 31 Ca -0.61 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.80 1f0s h ASP 31 Cb 1.34 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.85 1f0s h ASP 31 CO 0.50 0.08 0.00 -0.46 -3.12 0.00 0.00 179.24 176.23 1f0s n ASN 32 N -3.46 0.80 -0.52 6.45 0.23 -1.26 -4.88 115.26 112.62 1f0s n ASN 32 Ca -0.02 -2.03 -0.05 0.00 -0.53 0.00 0.00 54.58 51.95 1f0s n ASN 32 Cb 0.22 -0.16 -0.02 0.00 -2.08 0.00 0.00 39.78 37.73 1f0s n ASN 32 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1f0s n GLY 33 N 0.55 0.52 1.12 4.83 0.00 -0.43 -4.67 105.19 107.11 1f0s n GLY 33 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1f0s n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1f0s n LYS 34 N -0.25 0.00 -1.96 1.61 5.02 -1.26 -4.01 118.16 117.30 1f0s n LYS 34 Ca -0.05 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.90 1f0s n LYS 34 Cb 0.41 -0.45 0.03 0.00 -0.02 0.00 0.00 35.03 35.00 1f0s n LYS 34 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1f0s s ALA 35 N -2.00 2.58 -0.19 7.82 0.00 -1.26 -2.02 121.76 126.69 1f0s s ALA 35 Ca 0.00 0.61 -0.01 0.00 0.00 0.00 0.00 51.96 52.56 1f0s s ALA 35 Cb 0.00 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.80 1f0s s ALA 35 CO 0.00 -1.04 -0.12 0.00 0.00 0.00 0.00 175.76 174.60 1f0s s ILE 37 N 1.18 5.05 0.32 0.00 -1.09 0.19 -4.84 121.20 122.01 1f0s s ILE 37 Ca 0.02 0.06 -0.29 0.00 -2.23 0.00 0.00 60.65 58.20 1f0s s ILE 37 Cb -0.14 -3.28 -0.11 0.00 -1.58 0.00 0.00 42.46 37.35 1f0s s ILE 37 CO -0.04 0.47 1.45 -2.84 -1.23 0.00 0.00 174.94 172.75 1f0s s PRO 38 N 0.23 4.21 0.01 2.79 0.02 -1.26 0.91 135.00 141.91 1f0s s PRO 38 Ca 0.06 2.43 -0.21 0.00 0.02 0.00 0.00 61.00 63.29 1f0s s PRO 38 Cb -0.12 -3.03 -0.18 0.00 0.02 0.00 0.00 34.50 31.19 1f0s s PRO 38 CO -0.00 -0.44 1.22 1.15 -0.33 0.00 0.00 177.00 178.59 1f0s h THR 39 N 3.18 1.41 -0.61 0.99 2.02 -0.86 -3.45 112.91 115.60 1f0s h THR 39 Ca -0.49 -1.61 0.00 0.00 0.77 0.00 0.00 66.41 65.09 1f0s h THR 39 Cb 1.23 2.24 0.00 0.00 -1.74 0.00 0.00 68.15 69.88 1f0s h THR 39 CO 0.70 0.46 0.00 0.61 0.37 0.00 0.00 175.52 177.66 1f0s n GLY 40 N 0.57 5.25 3.83 2.16 0.00 -1.26 -5.09 105.19 110.65 1f0s n GLY 40 Ca -0.08 -1.30 -0.33 0.00 0.00 0.00 0.00 46.02 44.31 1f0s n GLY 40 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1f0s s PRO 41 N 1.39 4.15 -1.09 1.61 0.04 -1.26 -4.21 135.00 135.62 1f0s s PRO 41 Ca 0.00 1.05 -0.13 0.00 0.04 0.00 0.00 61.00 61.96 1f0s s PRO 41 Cb 0.00 -2.19 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 1f0s s PRO 41 CO 0.00 -0.07 0.86 0.66 0.04 0.00 0.00 177.00 178.49 1f0s n TYR 42 N -0.83 -2.21 -1.81 0.56 4.01 -1.26 -4.96 117.16 110.66 1f0s n TYR 42 Ca 0.07 0.67 -0.32 0.00 -0.16 0.00 0.00 57.90 58.15 1f0s n TYR 42 Cb 0.54 -3.82 0.04 0.00 -0.31 0.00 0.00 39.34 35.79 1f0s n TYR 42 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1f0s s PRO 43 N -5.14 2.98 0.79 -0.72 0.04 -1.26 -4.97 135.00 126.72 1f0s s PRO 43 Ca 0.46 1.25 -0.14 0.00 0.04 0.00 0.00 61.00 62.61 1f0s s PRO 43 Cb -0.11 -1.98 0.06 0.00 0.04 0.00 0.00 34.50 32.50 1f0s s PRO 43 CO 0.80 -1.09 1.08 0.00 0.04 0.00 0.00 177.00 177.83 1f0s n GLY 45 N 0.78 0.18 3.41 0.00 0.00 -1.26 -4.99 105.19 103.31 1f0s n GLY 45 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 1f0s n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f0s s LYS 46 N -1.29 3.33 0.40 1.61 -0.14 -1.19 -5.09 119.74 117.36 1f0s s LYS 46 Ca 0.00 -0.65 -0.26 0.00 -1.36 0.00 0.00 55.97 53.70 1f0s s LYS 46 Cb 0.00 -2.66 -0.09 0.00 -1.68 0.00 0.00 37.83 33.41 1f0s s LYS 46 CO 0.00 0.28 1.24 -0.65 -0.76 0.00 0.00 175.35 175.45 1f0s s GLN 47 N 0.20 4.04 0.02 1.68 -0.21 -1.26 -4.92 119.66 119.22 1f0s s GLN 47 Ca -0.07 2.01 -0.26 0.00 0.02 0.00 0.00 55.36 57.06 1f0s s GLN 47 Cb -0.15 -2.75 -0.05 0.00 1.00 0.00 0.00 33.01 31.06 1f0s s GLN 47 CO 0.05 -0.38 0.82 0.95 -2.12 0.00 0.00 175.29 174.60 1f0s s THR 48 N -1.32 4.79 -0.24 -0.19 -4.23 -1.26 -4.97 115.64 108.22 1f0s s THR 48 Ca 0.56 1.73 0.08 0.00 -1.18 0.00 0.00 61.69 62.88 1f0s s THR 48 Cb -0.35 -4.16 -0.10 0.00 1.34 0.00 0.00 72.50 69.23 1f0s s THR 48 CO 0.44 0.30 0.28 0.18 -0.54 0.00 0.00 174.62 175.28 1f0s n LEU 49 N 3.18 0.23 0.00 4.79 4.77 -1.26 -5.27 117.00 123.45 1f0s n LEU 49 Ca -0.00 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.67 1f0s n LEU 49 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1f0s n LEU 49 CO 0.48 0.06 0.00 1.21 -1.33 0.00 0.00 177.39 177.81