#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 6hir s VAL 2 N 0.00 0.93 0.60 2.52 1.01 -1.26 -5.15 120.40 119.05 6hir s VAL 2 Ca 0.00 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.37 6hir s VAL 2 Cb 0.00 -0.80 0.11 0.00 0.00 0.00 0.00 36.38 35.69 6hir s VAL 2 CO 0.00 0.16 0.83 -1.22 0.00 0.00 0.00 175.10 174.86 6hir n TYR 3 N 2.50 -2.76 -2.20 5.22 4.01 -1.26 -5.12 117.16 117.55 6hir n TYR 3 Ca -0.15 -1.68 -0.04 0.00 -0.16 0.00 0.00 57.90 55.86 6hir n TYR 3 Cb 0.56 -0.59 0.02 0.00 -0.31 0.00 0.00 39.34 39.02 6hir n TYR 3 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 6hir n THR 4 N -2.49 0.00 -2.51 -0.72 -2.24 -1.26 -4.86 114.28 100.20 6hir n THR 4 Ca 0.15 -0.25 -0.24 0.00 -2.27 0.00 0.00 64.05 61.44 6hir n THR 4 Cb 0.53 -1.36 0.04 0.00 -2.10 0.00 0.00 70.33 67.44 6hir n THR 4 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 6hir s ASP 5 N -1.68 5.27 0.51 3.42 1.01 -1.26 -2.17 116.67 121.77 6hir s ASP 5 Ca 0.11 0.31 0.00 0.00 0.71 0.00 0.00 52.55 53.68 6hir s ASP 5 Cb -0.01 -1.19 0.02 0.00 1.01 0.00 0.00 42.92 42.75 6hir s ASP 5 CO 0.07 -1.21 0.73 0.00 0.21 0.00 0.00 175.17 174.98 6hir n THR 7 N -2.24 0.00 -4.18 0.00 -2.24 -1.26 -5.01 114.28 99.36 6hir n THR 7 Ca 0.05 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.70 6hir n THR 7 Cb 0.59 0.81 -0.09 0.00 -2.10 0.00 0.00 70.33 69.54 6hir n THR 7 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 6hir s GLU 8 N 0.00 1.39 -0.07 -0.78 2.02 -1.26 -5.12 118.70 114.88 6hir s GLU 8 Ca 0.00 -1.64 -0.15 0.00 0.02 0.00 0.00 54.97 53.20 6hir s GLU 8 Cb 0.00 0.32 -0.05 0.00 0.10 0.00 0.00 34.13 34.50 6hir s GLU 8 CO 0.00 -0.50 0.38 -1.12 0.02 0.00 0.00 175.26 174.05 6hir s SER 9 N -3.18 6.68 0.00 -0.19 0.01 -1.26 -4.13 113.70 111.63 6hir s SER 9 Ca 0.36 0.81 0.00 0.00 1.31 0.00 0.00 55.95 58.43 6hir s SER 9 Cb 0.05 -2.23 0.00 0.00 0.21 0.00 0.00 66.02 64.04 6hir s SER 9 CO 0.15 0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.62 6hir n GLY 10 N 2.48 2.50 0.40 3.44 0.00 0.67 -4.92 105.19 109.76 6hir n GLY 10 Ca -0.12 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.87 6hir n GLY 10 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 6hir n GLN 11 N -0.59 -1.12 0.01 1.61 3.00 -1.26 -2.59 117.38 116.44 6hir n GLN 11 Ca 0.00 -0.14 0.00 0.00 -0.01 0.00 0.00 57.00 56.85 6hir n GLN 11 Cb 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 30.24 30.02 6hir n GLN 11 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 6hir n ASN 12 N -2.29 -0.06 -4.56 1.08 4.13 -0.01 -3.44 115.26 110.11 6hir n ASN 12 Ca 0.01 0.02 -0.37 0.00 1.68 0.00 0.00 54.58 55.92 6hir n ASN 12 Cb 0.06 0.28 -0.03 0.00 -1.54 0.00 0.00 39.78 38.54 6hir n ASN 12 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 6hir s LEU 13 N -5.06 3.45 0.00 3.41 1.43 -1.26 -2.73 118.68 117.92 6hir s LEU 13 Ca 0.00 -1.47 0.00 0.00 -1.03 0.00 0.00 54.13 51.63 6hir s LEU 13 Cb 0.00 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.65 6hir s LEU 13 CO 0.00 -1.85 0.00 0.00 0.23 0.00 0.00 176.35 174.73 6hir s LEU 15 N 0.00 2.90 -0.18 0.00 1.43 -0.92 -3.58 118.68 118.34 6hir s LEU 15 Ca 0.00 -1.74 -0.15 0.00 -1.03 0.00 0.00 54.13 51.22 6hir s LEU 15 Cb 0.00 -1.08 -0.07 0.00 0.03 0.00 0.00 46.19 45.07 6hir s LEU 15 CO 0.00 -0.40 -0.23 0.00 0.23 0.00 0.00 176.35 175.95 6hir s GLU 17 N -2.56 3.27 3.87 0.00 2.02 -1.26 -4.53 118.70 119.51 6hir s GLU 17 Ca -0.25 -0.80 0.00 0.00 0.02 0.00 0.00 54.97 53.94 6hir s GLU 17 Cb 0.05 -4.46 0.00 0.00 0.10 0.00 0.00 34.13 29.82 6hir s GLU 17 CO 0.38 -1.98 0.00 0.41 0.02 0.00 0.00 175.26 174.09 6hir n GLY 18 N 5.59 0.51 0.03 -1.39 0.00 -1.26 -0.49 105.19 108.18 6hir n GLY 18 Ca 0.07 0.63 0.01 0.00 0.00 0.00 0.00 46.02 46.73 6hir n GLY 18 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 6hir n SER 19 N 8.09 1.57 -4.82 1.61 3.41 -1.26 -4.93 113.62 117.29 6hir n SER 19 Ca 0.00 -1.93 -0.35 0.00 -0.26 0.00 0.00 58.87 56.33 6hir n SER 19 Cb 0.00 -0.06 -0.06 0.00 -0.26 0.00 0.00 64.21 63.83 6hir n SER 19 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 6hir s ASN 20 N -1.02 7.03 -0.12 4.04 0.01 0.36 -4.97 114.94 120.26 6hir s ASN 20 Ca 0.04 1.51 -0.20 0.00 -0.71 0.00 0.00 52.86 53.49 6hir s ASN 20 Cb 0.03 -2.46 -0.04 0.00 0.41 0.00 0.00 41.25 39.20 6hir s ASN 20 CO 0.00 -0.11 0.59 -0.69 -1.51 0.00 0.00 177.10 175.38 6hir s VAL 21 N -1.75 5.10 -0.25 1.60 1.01 -1.26 -3.32 120.40 121.52 6hir s VAL 21 Ca 0.50 1.16 -0.02 0.00 0.00 0.00 0.00 61.98 63.63 6hir s VAL 21 Cb -0.14 -3.92 0.08 0.00 0.00 0.00 0.00 36.38 32.40 6hir s VAL 21 CO 0.19 0.25 0.06 0.00 0.00 0.00 0.00 175.10 175.60 6hir n GLY 23 N 4.97 1.51 3.06 0.00 0.00 -1.10 -4.38 105.19 109.25 6hir n GLY 23 Ca -0.06 0.13 -0.50 0.00 0.00 0.00 0.00 46.02 45.60 6hir n GLY 23 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 6hir n GLN 24 N 0.00 0.00 0.00 1.61 7.27 -1.26 0.32 117.38 125.32 6hir n GLN 24 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 6hir n GLN 24 Cb 0.00 -1.21 0.00 0.00 2.41 0.00 0.00 30.24 31.44 6hir n GLN 24 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 6hir n GLY 25 N 1.43 2.00 1.69 1.69 0.00 -1.26 -4.98 105.19 105.77 6hir n GLY 25 Ca 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.12 6hir n GLY 25 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 6hir n ASN 26 N 0.00 -0.67 -4.13 1.61 0.23 0.15 -4.54 115.26 107.91 6hir n ASN 26 Ca 0.00 -1.96 -0.21 0.00 -0.53 0.00 0.00 54.58 51.88 6hir n ASN 26 Cb 0.00 1.26 -0.14 0.00 -2.08 0.00 0.00 39.78 38.82 6hir n ASN 26 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 6hir s LYS 27 N -2.42 0.99 -0.01 -3.83 2.20 0.17 -3.96 119.74 112.88 6hir s LYS 27 Ca 0.15 -0.67 0.06 0.00 -0.36 0.00 0.00 55.97 55.15 6hir s LYS 27 Cb -0.00 -0.99 -0.03 0.00 -1.51 0.00 0.00 37.83 35.30 6hir s LYS 27 CO 0.11 0.25 -0.19 0.00 -0.36 0.00 0.00 175.35 175.16 6hir s ILE 29 N -0.75 1.67 0.00 0.00 -1.09 -0.36 -0.24 121.20 120.43 6hir s ILE 29 Ca 0.12 -0.84 0.00 0.00 -2.23 0.00 0.00 60.65 57.70 6hir s ILE 29 Cb -0.10 -1.43 0.00 0.00 -1.58 0.00 0.00 42.46 39.35 6hir s ILE 29 CO 0.01 0.47 0.00 0.18 -1.23 0.00 0.00 174.94 174.38 6hir n LEU 30 N 3.15 0.00 -2.73 2.97 4.77 -1.26 -0.52 117.00 123.38 6hir n LEU 30 Ca -0.18 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.44 6hir n LEU 30 Cb 0.53 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.54 6hir n LEU 30 CO 0.25 -0.49 1.15 0.61 -1.33 0.00 0.00 177.39 177.59 6hir n GLY 31 N 4.75 -0.13 0.00 -0.72 0.00 -1.21 -4.52 105.19 103.37 6hir n GLY 31 Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 46.02 46.74 6hir n GLY 31 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 6hir n SER 32 N 5.10 0.00 -4.21 1.61 7.64 -1.17 -4.56 113.62 118.03 6hir n SER 32 Ca 0.36 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.84 6hir n SER 32 Cb -0.02 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.14 6hir n SER 32 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 6hir s ASP 33 N -1.61 6.50 0.00 6.43 1.01 -1.26 -4.58 116.67 123.16 6hir s ASP 33 Ca 0.00 -3.55 0.00 0.00 0.71 0.00 0.00 52.55 49.71 6hir s ASP 33 Cb 0.00 -2.04 0.00 0.00 1.01 0.00 0.00 42.92 41.89 6hir s ASP 33 CO 0.00 -0.26 0.00 0.61 0.21 0.00 0.00 175.17 175.73 6hir n GLY 34 N 2.65 0.04 0.00 0.21 0.00 -1.26 -4.92 105.19 101.91 6hir n GLY 34 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 6hir n GLY 34 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 6hir n GLU 35 N 0.34 1.45 -0.41 1.61 1.02 -1.26 -5.08 120.64 118.31 6hir n GLU 35 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 6hir n GLU 35 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.82 6hir n GLU 35 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 6hir n LYS 36 N -0.58 1.24 -2.19 3.49 5.02 -1.26 -4.00 118.16 119.88 6hir n LYS 36 Ca 0.00 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.02 6hir n LYS 36 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.06 6hir n LYS 36 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 6hir s ASN 37 N -1.00 5.30 -0.07 4.39 0.01 -1.26 -3.03 114.94 119.28 6hir s ASN 37 Ca 0.00 0.76 -0.12 0.00 -0.71 0.00 0.00 52.86 52.80 6hir s ASN 37 Cb 0.00 -1.59 0.02 0.00 0.41 0.00 0.00 41.25 40.09 6hir s ASN 37 CO 0.00 -1.32 0.29 -1.58 -1.51 0.00 0.00 177.10 172.98 6hir s GLN 38 N -5.18 0.47 -0.62 -0.60 0.74 0.33 -4.80 119.66 109.99 6hir s GLN 38 Ca 0.57 0.13 -0.17 0.00 0.05 0.00 0.00 55.36 55.94 6hir s GLN 38 Cb -0.11 0.22 0.14 0.00 1.10 0.00 0.00 33.01 34.35 6hir s GLN 38 CO 0.47 -0.10 0.64 0.00 -0.55 0.00 0.00 175.29 175.75 6hir s VAL 40 N 1.75 4.48 0.38 0.00 0.11 0.17 -4.91 120.40 122.39 6hir s VAL 40 Ca 0.09 -0.16 -0.28 0.00 -2.93 0.00 0.00 61.98 58.70 6hir s VAL 40 Cb -0.24 -2.95 -0.11 0.00 -1.53 0.00 0.00 36.38 31.56 6hir s VAL 40 CO 0.01 0.55 1.49 0.28 -3.33 0.00 0.00 175.10 174.10 6hir s THR 41 N -0.32 2.04 -2.29 5.04 -1.32 -1.26 0.45 115.64 117.98 6hir s THR 41 Ca 0.07 0.04 0.00 0.00 -1.21 0.00 0.00 61.69 60.59 6hir s THR 41 Cb -0.12 -3.02 0.00 0.00 -1.51 0.00 0.00 72.50 67.85 6hir s THR 41 CO 0.02 0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.05 6hir n GLY 42 N 0.45 -0.64 2.97 6.08 0.00 -1.26 -4.55 105.19 108.23 6hir n GLY 42 Ca 0.01 -0.49 -0.31 0.00 0.00 0.00 0.00 46.02 45.24 6hir n GLY 42 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 6hir s GLU 43 N -1.23 1.78 0.17 1.61 2.02 -1.26 -4.17 118.70 117.63 6hir s GLU 43 Ca 0.00 -1.02 0.07 0.00 0.02 0.00 0.00 54.97 54.04 6hir s GLU 43 Cb 0.00 -2.60 -0.04 0.00 0.10 0.00 0.00 34.13 31.58 6hir s GLU 43 CO 0.00 -0.56 -0.15 0.20 0.02 0.00 0.00 175.26 174.77 6hir s GLY 44 N 1.35 1.31 0.08 -1.39 0.00 -1.25 -4.93 107.32 102.48 6hir s GLY 44 Ca -0.06 -1.53 -0.07 0.00 0.00 0.00 0.00 44.72 43.06 6hir s GLY 44 CO -0.06 -1.61 0.35 -1.08 0.00 0.00 0.00 173.10 170.69 6hir s THR 45 N -2.67 5.19 0.52 0.90 -1.32 -1.07 -4.77 115.64 112.41 6hir s THR 45 Ca 0.18 0.20 -0.08 0.00 -1.21 0.00 0.00 61.69 60.78 6hir s THR 45 Cb -0.02 -3.62 0.12 0.00 -1.51 0.00 0.00 72.50 67.47 6hir s THR 45 CO 0.05 0.21 0.27 -2.65 -2.21 0.00 0.00 174.62 170.30 6hir n PRO 46 N 0.65 -1.91 -3.61 7.08 -0.01 -1.26 -0.83 135.00 135.10 6hir n PRO 46 Ca -0.07 -0.46 -0.40 0.00 -0.01 0.00 0.00 63.50 62.57 6hir n PRO 46 Cb 0.52 -0.70 -0.10 0.00 -0.01 0.00 0.00 33.50 33.21 6hir n PRO 46 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 175.50 173.49 6hir s GLU 47 N -3.11 2.43 0.00 -0.52 -6.30 -1.25 -4.20 118.70 105.76 6hir s GLU 47 Ca 0.21 -1.67 0.00 0.00 -2.50 0.00 0.00 54.97 51.01 6hir s GLU 47 Cb -0.04 -3.81 0.00 0.00 0.00 0.00 0.00 34.13 30.29 6hir s GLU 47 CO 0.18 -1.09 0.00 -2.30 0.02 0.00 0.00 175.26 172.07 6hir n PRO 48 N 4.85 -1.63 0.00 4.30 -0.02 -1.26 -4.98 135.00 136.26 6hir n PRO 48 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 6hir n PRO 48 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.90 6hir n PRO 48 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52