#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 4.10 0.00 3.34 1.01 -1.26 -5.08 120.40 122.52 4hir s VAL 2 Ca 0.00 0.68 0.00 0.00 0.00 0.00 0.00 61.98 62.66 4hir s VAL 2 Cb 0.00 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.74 4hir s VAL 2 CO 0.00 -0.89 0.00 -1.22 0.00 0.00 0.00 175.10 172.99 4hir n TYR 3 N -2.92 -1.75 -2.80 5.22 4.02 -1.26 -5.13 117.16 112.54 4hir n TYR 3 Ca 0.07 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.75 4hir n TYR 3 Cb 0.55 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.93 4hir n TYR 3 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 4hir s THR 4 N 0.96 2.47 0.18 -0.72 -4.23 -1.26 -4.92 115.64 108.11 4hir s THR 4 Ca 0.00 -0.80 -0.05 0.00 -1.18 0.00 0.00 61.69 59.66 4hir s THR 4 Cb 0.00 -2.67 -0.06 0.00 1.34 0.00 0.00 72.50 71.11 4hir s THR 4 CO 0.00 0.00 0.42 -1.81 -0.54 0.00 0.00 174.62 172.69 4hir s ASP 5 N -4.55 6.50 0.81 3.99 1.01 -1.26 -2.25 116.67 120.92 4hir s ASP 5 Ca 0.60 0.64 -0.12 0.00 0.71 0.00 0.00 52.55 54.39 4hir s ASP 5 Cb -0.08 -2.11 0.08 0.00 1.01 0.00 0.00 42.92 41.82 4hir s ASP 5 CO 0.39 -0.00 1.11 0.00 0.21 0.00 0.00 175.17 176.88 4hir n THR 7 N -3.43 0.24 -3.83 0.00 -2.24 -1.26 -4.94 114.28 98.82 4hir n THR 7 Ca 0.07 -0.25 -0.06 0.00 -2.27 0.00 0.00 64.05 61.53 4hir n THR 7 Cb 0.57 0.79 0.01 0.00 -2.10 0.00 0.00 70.33 69.60 4hir n THR 7 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 4hir s GLU 8 N -0.28 1.80 0.41 -0.78 2.12 -1.26 -5.14 118.70 115.58 4hir s GLU 8 Ca 0.01 -1.11 -0.12 0.00 0.36 0.00 0.00 54.97 54.12 4hir s GLU 8 Cb 0.01 0.54 -0.07 0.00 0.26 0.00 0.00 34.13 34.88 4hir s GLU 8 CO 0.00 -0.84 0.80 -1.12 -0.54 0.00 0.00 175.26 173.56 4hir s SER 9 N -3.08 6.55 0.00 -1.70 0.01 -1.26 -4.03 113.70 110.19 4hir s SER 9 Ca 0.15 1.20 0.00 0.00 1.31 0.00 0.00 55.95 58.61 4hir s SER 9 Cb -0.04 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.84 4hir s SER 9 CO 0.08 -0.41 0.00 0.61 0.41 0.00 0.00 173.24 173.92 4hir n GLY 10 N -1.28 3.18 2.99 3.44 0.00 0.31 -4.85 105.19 108.97 4hir n GLY 10 Ca 0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.76 -2.34 0.00 1.61 3.00 -1.26 -3.36 117.38 113.28 4hir n GLN 11 Ca 0.00 -0.69 0.00 0.00 -0.01 0.00 0.00 57.00 56.30 4hir n GLN 11 Cb 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 30.24 28.78 4hir n GLN 11 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 4hir n ASN 12 N -1.26 0.00 -1.91 1.08 2.85 -0.18 -2.95 115.26 112.89 4hir n ASN 12 Ca 0.06 0.00 -0.08 0.00 -0.11 0.00 0.00 54.58 54.45 4hir n ASN 12 Cb 0.32 0.00 -0.11 0.00 1.24 0.00 0.00 39.78 41.22 4hir n ASN 12 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 4hir n LEU 13 N -1.53 4.84 0.00 1.20 4.77 -1.26 -2.48 117.00 122.54 4hir n LEU 13 Ca 0.00 -2.76 0.00 0.00 -0.03 0.00 0.00 56.01 53.22 4hir n LEU 13 Cb 0.00 -1.23 0.00 0.00 -2.33 0.00 0.00 43.42 39.86 4hir n LEU 13 CO 0.00 1.36 0.00 0.00 -1.33 0.00 0.00 177.39 177.42 4hir s LEU 15 N 0.00 1.93 0.03 0.00 1.43 -0.95 -1.40 118.68 119.71 4hir s LEU 15 Ca 0.00 -0.49 -0.02 0.00 -1.03 0.00 0.00 54.13 52.59 4hir s LEU 15 Cb 0.00 -1.24 -0.01 0.00 0.03 0.00 0.00 46.19 44.98 4hir s LEU 15 CO 0.00 0.09 -0.03 0.00 0.23 0.00 0.00 176.35 176.63 4hir n GLU 17 N -3.13 2.96 0.00 0.00 1.02 -1.25 -4.71 120.64 115.52 4hir n GLU 17 Ca -0.01 -2.97 0.00 0.00 -0.02 0.00 0.00 57.16 54.16 4hir n GLU 17 Cb 0.05 -3.42 0.00 0.00 -0.02 0.00 0.00 31.44 28.05 4hir n GLU 17 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 4hir n GLY 18 N 4.96 1.56 0.57 0.62 0.00 -1.26 -2.39 105.19 109.25 4hir n GLY 18 Ca 0.50 -0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.55 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 10.15 2.21 -4.70 1.61 2.88 -1.26 -4.91 113.62 119.60 4hir n SER 19 Ca 0.00 -1.60 -0.42 0.00 -1.33 0.00 0.00 58.87 55.52 4hir n SER 19 Cb 0.00 -0.01 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 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 -1.17 7.27 0.54 -3.46 0.01 -1.01 -4.96 114.94 112.17 4hir s ASN 20 Ca 0.17 1.60 -0.20 0.00 -0.71 0.00 0.00 52.86 53.71 4hir s ASN 20 Cb 0.12 -2.56 -0.05 0.00 0.41 0.00 0.00 41.25 39.17 4hir s ASN 20 CO 0.18 -0.39 1.20 -0.69 -1.51 0.00 0.00 177.10 175.88 4hir s VAL 21 N 1.67 2.78 -0.15 1.60 1.01 -1.26 -2.60 120.40 123.45 4hir s VAL 21 Ca 0.50 0.52 -0.04 0.00 0.00 0.00 0.00 61.98 62.97 4hir s VAL 21 Cb -0.20 -3.23 0.07 0.00 0.00 0.00 0.00 36.38 33.02 4hir s VAL 21 CO 0.22 -0.07 0.17 0.00 0.00 0.00 0.00 175.10 175.42 4hir n GLY 23 N 5.31 0.21 3.70 0.00 0.00 -1.04 -3.97 105.19 109.41 4hir n GLY 23 Ca -0.05 0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 4hir n GLY 23 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 4hir s GLN 24 N 0.00 4.15 0.00 1.61 0.74 -1.26 -0.42 119.66 124.48 4hir s GLN 24 Ca 0.00 2.53 0.00 0.00 0.05 0.00 0.00 55.36 57.94 4hir s GLN 24 Cb 0.00 -3.44 0.00 0.00 1.10 0.00 0.00 33.01 30.67 4hir s GLN 24 CO 0.00 -0.78 0.00 0.41 -0.55 0.00 0.00 175.29 174.37 4hir n GLY 25 N 4.09 2.91 0.00 2.59 0.00 -1.26 -4.94 105.19 108.58 4hir n GLY 25 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 4hir n GLY 25 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 4hir n ASN 26 N 0.35 1.69 -3.59 1.61 0.23 0.44 -3.97 115.26 112.01 4hir n ASN 26 Ca 0.00 -0.72 -0.16 0.00 -0.53 0.00 0.00 54.58 53.17 4hir n ASN 26 Cb 0.00 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 37.57 4hir n ASN 26 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 4hir s LYS 27 N -1.15 0.15 0.69 -3.83 2.20 0.35 -3.74 119.74 114.40 4hir s LYS 27 Ca 0.00 0.50 -0.11 0.00 -0.36 0.00 0.00 55.97 56.00 4hir s LYS 27 Cb 0.00 -0.54 0.00 0.00 -1.51 0.00 0.00 37.83 35.79 4hir s LYS 27 CO 0.00 -0.44 1.08 0.00 -0.36 0.00 0.00 175.35 175.63 4hir s ILE 29 N -3.32 -0.29 0.20 0.00 -1.09 -0.30 0.11 121.20 116.51 4hir s ILE 29 Ca 0.58 0.18 -0.30 0.00 -2.23 0.00 0.00 60.65 58.87 4hir s ILE 29 Cb -0.11 -0.53 -0.08 0.00 -1.58 0.00 0.00 42.46 40.16 4hir s ILE 29 CO 0.52 0.07 1.03 -0.76 -1.23 0.00 0.00 174.94 174.57 4hir s LEU 30 N 1.96 4.54 0.00 2.97 1.43 -1.26 -1.18 118.68 127.14 4hir s LEU 30 Ca -0.05 2.03 0.00 0.00 -1.03 0.00 0.00 54.13 55.08 4hir s LEU 30 Cb -0.11 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.51 4hir s LEU 30 CO -0.11 -0.08 0.00 0.61 0.23 0.00 0.00 176.35 177.01 4hir n GLY 31 N 1.78 1.22 4.23 -3.19 0.00 -0.64 -4.85 105.19 103.75 4hir n GLY 31 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 4hir n GLY 31 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 4hir n SER 32 N -0.24 0.00 -3.44 1.61 2.88 0.22 -4.75 113.62 109.90 4hir n SER 32 Ca 0.00 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.17 4hir n SER 32 Cb 0.00 -0.19 -0.02 0.00 -0.75 0.00 0.00 64.21 63.25 4hir n SER 32 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 4hir n ASP 33 N 0.00 6.09 -1.42 -3.46 -0.08 -1.26 -3.01 116.55 113.42 4hir n ASP 33 Ca 0.00 -2.62 -0.14 0.00 -1.51 0.00 0.00 54.79 50.52 4hir n ASP 33 Cb 0.00 -1.47 -0.03 0.00 2.34 0.00 0.00 41.12 41.97 4hir n ASP 33 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 4hir n GLY 34 N 3.86 0.44 3.23 0.27 0.00 -1.26 -4.94 105.19 106.79 4hir n GLY 34 Ca 0.62 -0.31 -0.12 0.00 0.00 0.00 0.00 46.02 46.21 4hir n GLY 34 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 4hir s GLU 35 N -4.13 1.27 0.45 1.61 2.02 -1.16 -5.16 118.70 113.59 4hir s GLU 35 Ca 0.00 -1.64 0.07 0.00 0.02 0.00 0.00 54.97 53.42 4hir s GLU 35 Cb 0.00 0.29 0.02 0.00 0.10 0.00 0.00 34.13 34.53 4hir s GLU 35 CO 0.00 -0.43 0.61 0.15 0.02 0.00 0.00 175.26 175.61 4hir s LYS 36 N -4.09 2.77 1.15 1.61 1.02 -1.26 0.69 119.74 121.63 4hir s LYS 36 Ca 0.38 -1.16 -0.17 0.00 0.02 0.00 0.00 55.97 55.04 4hir s LYS 36 Cb 0.06 -2.71 0.17 0.00 -0.52 0.00 0.00 37.83 34.84 4hir s LYS 36 CO 0.13 -0.36 0.37 0.09 -0.92 0.00 0.00 175.35 174.66 4hir n ASN 37 N -1.95 -2.17 -3.56 2.83 4.13 -1.26 -1.61 115.26 111.66 4hir n ASN 37 Ca 0.08 -0.14 -0.15 0.00 1.68 0.00 0.00 54.58 56.05 4hir n ASN 37 Cb 0.59 -1.07 -0.06 0.00 -1.54 0.00 0.00 39.78 37.71 4hir n ASN 37 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 4hir s GLN 38 N -3.79 1.03 -0.34 3.52 0.74 -0.33 -4.56 119.66 115.93 4hir s GLN 38 Ca 0.61 -0.06 -0.03 0.00 0.05 0.00 0.00 55.36 55.93 4hir s GLN 38 Cb -0.17 0.47 0.06 0.00 1.10 0.00 0.00 33.01 34.48 4hir s GLN 38 CO 0.66 -0.35 0.08 0.00 -0.55 0.00 0.00 175.29 175.13 4hir s VAL 40 N 1.26 3.79 0.49 0.00 0.11 -0.69 -4.97 120.40 120.37 4hir s VAL 40 Ca -0.01 -1.48 -0.19 0.00 -2.93 0.00 0.00 61.98 57.38 4hir s VAL 40 Cb -0.21 -2.94 -0.09 0.00 -1.53 0.00 0.00 36.38 31.62 4hir s VAL 40 CO -0.01 -0.17 0.99 0.28 -3.33 0.00 0.00 175.10 172.85 4hir s THR 41 N -1.86 4.32 0.00 5.04 -1.32 -1.26 0.13 115.64 120.69 4hir s THR 41 Ca 0.29 1.27 0.00 0.00 -1.21 0.00 0.00 61.69 62.04 4hir s THR 41 Cb -0.09 -3.61 0.00 0.00 -1.51 0.00 0.00 72.50 67.29 4hir s THR 41 CO 0.20 -0.48 0.00 0.61 -2.21 0.00 0.00 174.62 172.74 4hir n GLY 42 N -1.01 -0.25 2.99 6.08 0.00 -1.26 -4.40 105.19 107.34 4hir n GLY 42 Ca 0.07 -0.01 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 4hir n GLY 42 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 4hir s GLU 43 N 0.00 0.46 0.00 1.61 2.12 -1.26 -4.62 118.70 117.00 4hir s GLU 43 Ca 0.00 0.32 0.00 0.00 0.36 0.00 0.00 54.97 55.65 4hir s GLU 43 Cb 0.00 -0.12 0.00 0.00 0.26 0.00 0.00 34.13 34.27 4hir s GLU 43 CO 0.00 -0.99 0.00 0.41 -0.54 0.00 0.00 175.26 174.14 4hir n GLY 44 N 5.38 4.77 3.08 -1.50 0.00 -1.25 -4.93 105.19 110.73 4hir n GLY 44 Ca 0.01 -2.12 -0.15 0.00 0.00 0.00 0.00 46.02 43.76 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 0.28 0.70 0.48 2.61 -1.32 -1.21 -4.91 115.64 112.25 4hir s THR 45 Ca 0.00 -1.00 -0.24 0.00 -1.21 0.00 0.00 61.69 59.23 4hir s THR 45 Cb 0.00 -0.71 -0.07 0.00 -1.51 0.00 0.00 72.50 70.21 4hir s THR 45 CO 0.00 -0.25 1.41 -0.81 -2.21 0.00 0.00 174.62 172.77 4hir n PRO 46 N 1.67 2.10 -2.26 7.08 -0.04 -1.26 -1.01 135.00 141.28 4hir n PRO 46 Ca -0.21 0.75 -0.43 0.00 -0.04 0.00 0.00 63.50 63.58 4hir n PRO 46 Cb 0.55 -2.61 -0.02 0.00 -0.04 0.00 0.00 33.50 31.37 4hir n PRO 46 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 4hir s GLU 47 N -2.56 4.04 -0.13 0.54 -6.30 -1.26 -4.82 118.70 108.21 4hir s GLU 47 Ca 0.64 1.68 -0.29 0.00 -2.50 0.00 0.00 54.97 54.49 4hir s GLU 47 Cb -0.44 -3.90 -0.04 0.00 0.00 0.00 0.00 34.13 29.75 4hir s GLU 47 CO 0.55 -0.97 1.63 -1.25 0.02 0.00 0.00 175.26 175.24 4hir s PRO 48 N 4.05 4.00 0.00 4.30 0.04 -1.26 -5.03 135.00 141.10 4hir s PRO 48 Ca 0.63 1.95 0.01 0.00 0.04 0.00 0.00 61.00 63.63 4hir s PRO 48 Cb -0.24 -4.00 0.01 0.00 0.04 0.00 0.00 34.50 30.31 4hir s PRO 48 CO 0.23 -1.05 0.52 0.00 0.04 0.00 0.00 177.00 176.75