#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4hir s VAL 2 N 0.00 4.47 0.08 1.55 1.01 -1.26 -5.07 120.40 121.18 4hir s VAL 2 Ca 0.00 0.87 0.00 0.00 0.00 0.00 0.00 61.98 62.85 4hir s VAL 2 Cb 0.00 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.67 4hir s VAL 2 CO 0.00 -0.98 0.01 -1.22 0.00 0.00 0.00 175.10 172.91 4hir n TYR 3 N -2.65 -0.08 -3.58 5.22 4.01 -1.26 -5.16 117.16 113.67 4hir n TYR 3 Ca 0.07 -0.37 -0.24 0.00 -0.16 0.00 0.00 57.90 57.20 4hir n TYR 3 Cb 0.54 -0.05 0.03 0.00 -0.31 0.00 0.00 39.34 39.54 4hir n TYR 3 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 4hir n THR 4 N -0.27 0.00 -3.42 -0.72 -2.24 -1.26 -4.93 114.28 101.44 4hir n THR 4 Ca -0.03 -2.13 -0.32 0.00 -2.27 0.00 0.00 64.05 59.30 4hir n THR 4 Cb 0.09 -0.20 -0.05 0.00 -2.10 0.00 0.00 70.33 68.08 4hir n THR 4 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 4hir s ASP 5 N -4.42 6.64 1.11 3.42 1.11 -1.26 -1.98 116.67 121.29 4hir s ASP 5 Ca 0.43 0.92 -0.18 0.00 0.18 0.00 0.00 52.55 53.89 4hir s ASP 5 Cb -0.03 -2.22 0.26 0.00 1.07 0.00 0.00 42.92 41.99 4hir s ASP 5 CO 0.27 -0.05 1.20 0.00 1.18 0.00 0.00 175.17 177.78 4hir n THR 7 N -4.38 0.00 -3.84 0.00 -2.24 -1.26 -4.96 114.28 97.60 4hir n THR 7 Ca 0.15 -0.06 -0.07 0.00 -2.27 0.00 0.00 64.05 61.80 4hir n THR 7 Cb 0.59 0.33 -0.01 0.00 -2.10 0.00 0.00 70.33 69.15 4hir n THR 7 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 4hir s GLU 8 N 0.00 1.81 0.81 -0.78 2.02 -1.26 -5.14 118.70 116.16 4hir s GLU 8 Ca 0.02 -1.04 -0.14 0.00 0.02 0.00 0.00 54.97 53.83 4hir s GLU 8 Cb 0.02 0.59 0.20 0.00 0.10 0.00 0.00 34.13 35.04 4hir s GLU 8 CO -0.01 -0.83 0.77 0.43 0.02 0.00 0.00 175.26 175.64 4hir n SER 9 N -0.66 -1.48 0.00 -0.19 7.64 -1.26 -4.24 113.62 113.43 4hir n SER 9 Ca -0.05 -1.01 0.00 0.00 1.01 0.00 0.00 58.87 58.82 4hir n SER 9 Cb 0.59 -0.69 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 4hir n SER 9 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 4hir n GLY 10 N -2.24 0.00 0.00 0.23 0.00 0.69 -4.83 105.19 99.04 4hir n GLY 10 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 4hir n GLY 10 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 4hir n GLN 11 N 0.03 -0.49 0.00 1.61 3.00 -1.26 -4.14 117.38 116.12 4hir n GLN 11 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 4hir n GLN 11 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 4hir n GLN 11 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 4hir n ASN 12 N -1.53 0.00 -1.98 1.08 4.13 -0.46 -3.93 115.26 112.57 4hir n ASN 12 Ca 0.00 0.00 -0.07 0.00 1.68 0.00 0.00 54.58 56.19 4hir n ASN 12 Cb 0.00 0.21 -0.10 0.00 -1.54 0.00 0.00 39.78 38.35 4hir n ASN 12 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 4hir n LEU 13 N -2.46 4.15 0.00 3.41 4.77 -1.26 -3.13 117.00 122.48 4hir n LEU 13 Ca 0.00 -2.43 0.00 0.00 -0.03 0.00 0.00 56.01 53.55 4hir n LEU 13 Cb 0.00 -1.06 0.00 0.00 -2.33 0.00 0.00 43.42 40.03 4hir n LEU 13 CO 0.00 1.12 0.00 0.00 -1.33 0.00 0.00 177.39 177.18 4hir s LEU 15 N 0.00 2.56 0.00 0.00 1.43 -0.84 -2.47 118.68 119.36 4hir s LEU 15 Ca 0.00 -0.42 0.05 0.00 -1.03 0.00 0.00 54.13 52.73 4hir s LEU 15 Cb 0.00 -1.58 0.08 0.00 0.03 0.00 0.00 46.19 44.72 4hir s LEU 15 CO 0.00 0.12 1.00 0.00 0.23 0.00 0.00 176.35 177.70 4hir n GLU 17 N 0.09 0.56 0.00 0.00 2.13 -1.22 -3.69 120.64 118.51 4hir n GLU 17 Ca 0.01 -2.14 0.00 0.00 0.66 0.00 0.00 57.16 55.68 4hir n GLU 17 Cb 0.77 -1.48 0.00 0.00 0.27 0.00 0.00 31.44 31.00 4hir n GLU 17 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 4hir n GLY 18 N 2.59 2.00 0.08 8.31 0.00 -1.26 -2.45 105.19 114.46 4hir n GLY 18 Ca 0.17 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.26 4hir n GLY 18 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 4hir n SER 19 N 5.41 0.00 -4.83 1.61 2.88 -1.26 -5.07 113.62 112.36 4hir n SER 19 Ca 0.00 -1.12 -0.37 0.00 -1.33 0.00 0.00 58.87 56.04 4hir n SER 19 Cb 0.00 -0.02 -0.06 0.00 -0.75 0.00 0.00 64.21 63.37 4hir n SER 19 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 4hir s ASN 20 N -0.12 6.64 0.41 -3.46 0.02 -1.02 -4.99 114.94 112.41 4hir s ASN 20 Ca 0.00 0.76 -0.24 0.00 -1.02 0.00 0.00 52.86 52.36 4hir s ASN 20 Cb 0.00 -2.19 -0.08 0.00 0.02 0.00 0.00 41.25 38.99 4hir s ASN 20 CO 0.00 0.31 1.11 -0.69 0.02 0.00 0.00 177.10 177.85 4hir s VAL 21 N -0.82 3.41 -0.09 1.60 1.01 -1.26 -2.84 120.40 121.41 4hir s VAL 21 Ca 0.20 1.12 -0.04 0.00 0.00 0.00 0.00 61.98 63.27 4hir s VAL 21 Cb -0.15 -3.60 0.05 0.00 0.00 0.00 0.00 36.38 32.68 4hir s VAL 21 CO 0.09 0.05 0.18 0.00 0.00 0.00 0.00 175.10 175.42 4hir n GLY 23 N 4.65 -1.95 3.64 0.00 0.00 -1.18 -4.21 105.19 106.14 4hir n GLY 23 Ca -0.18 0.74 -0.53 0.00 0.00 0.00 0.00 46.02 46.05 4hir n GLY 23 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 4hir n GLN 24 N 0.00 1.26 0.00 1.61 7.27 -1.26 0.14 117.38 126.40 4hir n GLN 24 Ca 0.00 0.46 0.00 0.00 0.07 0.00 0.00 57.00 57.53 4hir n GLN 24 Cb 0.00 -2.13 0.00 0.00 2.41 0.00 0.00 30.24 30.52 4hir n GLN 24 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 4hir n GLY 25 N 3.23 2.90 0.00 1.69 0.00 -1.26 -4.96 105.19 106.79 4hir n GLY 25 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 4hir n GLY 25 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 4hir n ASN 26 N 0.26 0.79 -4.00 1.61 4.13 0.38 -3.99 115.26 114.45 4hir n ASN 26 Ca 0.00 -0.89 -0.08 0.00 1.68 0.00 0.00 54.58 55.29 4hir n ASN 26 Cb 0.00 0.00 -0.09 0.00 -1.54 0.00 0.00 39.78 38.15 4hir n ASN 26 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 4hir s LYS 27 N -1.68 0.69 0.24 3.52 2.20 0.44 -3.75 119.74 121.39 4hir s LYS 27 Ca 0.00 -1.09 0.06 0.00 -0.36 0.00 0.00 55.97 54.58 4hir s LYS 27 Cb 0.00 0.26 -0.05 0.00 -1.51 0.00 0.00 37.83 36.52 4hir s LYS 27 CO 0.00 -0.17 -0.08 0.00 -0.36 0.00 0.00 175.35 174.75 4hir s ILE 29 N -3.08 -0.01 -0.23 0.00 -1.09 -0.79 0.25 121.20 116.24 4hir s ILE 29 Ca 0.27 0.18 -0.29 0.00 -2.23 0.00 0.00 60.65 58.58 4hir s ILE 29 Cb 0.03 -0.11 -0.01 0.00 -1.58 0.00 0.00 42.46 40.79 4hir s ILE 29 CO 0.09 0.09 1.29 -0.76 -1.23 0.00 0.00 174.94 174.42 4hir s LEU 30 N 1.00 4.03 0.00 2.97 1.43 -1.26 -1.91 118.68 124.93 4hir s LEU 30 Ca -0.09 1.45 0.00 0.00 -1.03 0.00 0.00 54.13 54.46 4hir s LEU 30 Cb -0.12 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.56 4hir s LEU 30 CO -0.03 -0.93 0.00 0.61 0.23 0.00 0.00 176.35 176.24 4hir n GLY 31 N 3.97 -1.84 0.00 -3.19 0.00 0.82 -4.85 105.19 100.11 4hir n GLY 31 Ca 0.14 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.59 4hir n GLY 31 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 4hir n SER 32 N 0.00 0.00 -3.37 1.61 7.64 0.99 -4.69 113.62 115.80 4hir n SER 32 Ca 0.00 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.57 4hir n SER 32 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 4hir n SER 32 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 4hir n ASP 33 N 0.00 4.01 -0.38 6.43 2.03 -1.26 -2.96 116.55 124.41 4hir n ASP 33 Ca 0.00 -2.48 -0.04 0.00 0.52 0.00 0.00 54.79 52.79 4hir n ASP 33 Cb 0.00 -1.13 -0.01 0.00 -0.72 0.00 0.00 41.12 39.27 4hir n ASP 33 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 4hir n GLY 34 N 4.07 0.33 0.00 0.27 0.00 -1.26 -4.98 105.19 103.61 4hir n GLY 34 Ca 0.47 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.71 4hir n GLY 34 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 4hir n GLU 35 N -1.74 1.20 0.00 1.61 1.02 -1.15 -5.14 120.64 116.43 4hir n GLU 35 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 4hir n GLU 35 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.85 4hir n GLU 35 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 4hir n LYS 36 N 0.00 3.59 -2.30 3.49 5.02 -1.26 -3.49 118.16 123.20 4hir n LYS 36 Ca 0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.89 4hir n LYS 36 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 4hir n LYS 36 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 4hir s ASN 37 N -0.71 6.82 0.17 4.39 0.01 -1.26 0.33 114.94 124.69 4hir s ASN 37 Ca 0.00 2.42 -0.05 0.00 -0.71 0.00 0.00 52.86 54.52 4hir s ASN 37 Cb 0.00 -2.63 -0.03 0.00 0.41 0.00 0.00 41.25 39.01 4hir s ASN 37 CO 0.00 -0.47 0.19 -1.58 -1.51 0.00 0.00 177.10 173.73 4hir s GLN 38 N -1.90 1.13 -0.54 -0.60 0.74 -0.80 -4.78 119.66 112.90 4hir s GLN 38 Ca 0.51 -1.38 0.01 0.00 0.05 0.00 0.00 55.36 54.55 4hir s GLN 38 Cb -0.33 0.31 0.14 0.00 1.10 0.00 0.00 33.01 34.23 4hir s GLN 38 CO 0.43 -0.38 0.31 0.00 -0.55 0.00 0.00 175.29 175.10 4hir s VAL 40 N -0.09 4.90 0.64 0.00 0.11 0.64 -4.76 120.40 121.85 4hir s VAL 40 Ca 0.16 1.04 -0.17 0.00 -2.93 0.00 0.00 61.98 60.08 4hir s VAL 40 Cb -0.23 -3.81 -0.07 0.00 -1.53 0.00 0.00 36.38 30.73 4hir s VAL 40 CO -0.02 0.54 0.49 1.07 -3.33 0.00 0.00 175.10 173.85 4hir n THR 41 N 1.96 2.00 -0.72 5.04 5.66 -1.26 0.17 114.28 127.13 4hir n THR 41 Ca -0.11 -0.46 0.00 0.00 -3.05 0.00 0.00 64.05 60.43 4hir n THR 41 Cb 0.51 -0.68 0.00 0.00 -1.55 0.00 0.00 70.33 68.61 4hir n THR 41 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 4hir n GLY 42 N 1.77 0.40 3.06 1.09 0.00 -1.26 -4.12 105.19 106.14 4hir n GLY 42 Ca 0.11 -1.48 -0.12 0.00 0.00 0.00 0.00 46.02 44.53 4hir n GLY 42 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 4hir s GLU 43 N -2.00 0.28 0.00 1.61 2.02 -1.25 -2.93 118.70 116.43 4hir s GLU 43 Ca 0.00 0.02 0.00 0.00 0.02 0.00 0.00 54.97 55.01 4hir s GLU 43 Cb 0.00 0.12 0.00 0.00 0.10 0.00 0.00 34.13 34.35 4hir s GLU 43 CO 0.00 -0.05 0.00 0.41 0.02 0.00 0.00 175.26 175.64 4hir n GLY 44 N 2.51 4.79 3.19 -1.39 0.00 -1.26 -4.90 105.19 108.12 4hir n GLY 44 Ca -0.16 -0.86 -0.15 0.00 0.00 0.00 0.00 46.02 44.86 4hir n GLY 44 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 4hir s THR 45 N 0.49 1.00 0.00 2.61 -1.32 -1.26 -4.94 115.64 112.22 4hir s THR 45 Ca 0.00 -1.70 0.00 0.00 -1.21 0.00 0.00 61.69 58.78 4hir s THR 45 Cb 0.00 -1.44 0.00 0.00 -1.51 0.00 0.00 72.50 69.55 4hir s THR 45 CO 0.00 -0.57 0.00 -2.65 -2.21 0.00 0.00 174.62 169.19 4hir n PRO 46 N 0.45 -0.36 -3.89 7.08 -0.02 -1.26 -1.36 135.00 135.64 4hir n PRO 46 Ca -0.15 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.03 4hir n PRO 46 Cb 0.58 0.00 -0.12 0.00 -0.02 0.00 0.00 33.50 33.94 4hir n PRO 46 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 4hir s GLU 47 N -1.74 2.28 1.10 -0.52 -6.30 -1.26 -4.37 118.70 107.89 4hir s GLU 47 Ca 0.00 -2.91 -0.13 0.00 -2.50 0.00 0.00 54.97 49.43 4hir s GLU 47 Cb 0.00 -3.43 0.25 0.00 0.00 0.00 0.00 34.13 30.94 4hir s GLU 47 CO 0.00 -1.19 1.06 -2.14 0.02 0.00 0.00 175.26 173.01 4hir s PRO 48 N -0.75 -0.38 0.00 4.30 0.02 -1.26 -5.04 135.00 131.89 4hir s PRO 48 Ca 0.20 0.68 0.29 0.00 0.02 0.00 0.00 61.00 62.20 4hir s PRO 48 Cb -0.17 -1.63 1.33 0.00 0.02 0.00 0.00 34.50 34.05 4hir s PRO 48 CO -0.07 -3.32 1.90 1.04 -0.33 0.00 0.00 177.00 176.22