#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 3.57 0.00 2.52 1.01 -1.26 -5.04 120.40 121.19 4hir s VAL 2 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.32 4hir s VAL 2 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.90 4hir s VAL 2 CO 0.00 -0.59 0.00 -1.22 0.00 0.00 0.00 175.10 173.29 4hir n TYR 3 N -2.87 -0.52 -3.84 5.22 4.01 -1.26 -5.11 117.16 112.78 4hir n TYR 3 Ca 0.06 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.56 4hir n TYR 3 Cb 0.57 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.58 4hir n TYR 3 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 4hir s THR 4 N -2.52 2.01 0.38 -0.72 -1.32 -1.26 -4.98 115.64 107.23 4hir s THR 4 Ca 0.00 -1.49 -0.15 0.00 -1.21 0.00 0.00 61.69 58.84 4hir s THR 4 Cb 0.00 -2.50 -0.09 0.00 -1.51 0.00 0.00 72.50 68.40 4hir s THR 4 CO 0.00 0.00 0.81 -1.81 -2.21 0.00 0.00 174.62 171.41 4hir s ASP 5 N -4.18 6.75 1.06 8.08 1.01 -1.26 -2.93 116.67 125.19 4hir s ASP 5 Ca 0.39 1.36 -0.12 0.00 0.71 0.00 0.00 52.55 54.88 4hir s ASP 5 Cb -0.01 -2.41 0.17 0.00 1.01 0.00 0.00 42.92 41.68 4hir s ASP 5 CO 0.23 -0.30 0.87 0.00 0.21 0.00 0.00 175.17 176.17 4hir n THR 7 N -3.56 0.00 -3.82 0.00 -2.24 -1.26 -4.96 114.28 98.44 4hir n THR 7 Ca 0.11 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.83 4hir n THR 7 Cb 0.40 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 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 1.68 0.65 -0.78 2.02 -1.26 -5.02 118.70 115.99 4hir s GLU 8 Ca 0.00 -1.01 -0.04 0.00 0.02 0.00 0.00 54.97 53.94 4hir s GLU 8 Cb 0.00 0.52 0.05 0.00 0.10 0.00 0.00 34.13 34.80 4hir s GLU 8 CO 0.00 -0.78 0.93 -1.12 0.02 0.00 0.00 175.26 174.30 4hir s SER 9 N -3.06 4.98 0.00 -0.19 0.01 -1.26 -4.23 113.70 109.94 4hir s SER 9 Ca 0.15 0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.68 4hir s SER 9 Cb -0.04 -1.01 0.00 0.00 0.21 0.00 0.00 66.02 65.18 4hir s SER 9 CO 0.07 -1.43 0.00 0.61 0.41 0.00 0.00 173.24 172.89 4hir n GLY 10 N -2.71 1.32 1.09 3.44 0.00 0.36 -4.88 105.19 103.81 4hir n GLY 10 Ca 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 -0.99 0.05 1.61 6.02 -1.26 -3.68 117.38 119.13 4hir n GLN 11 Ca 0.00 -0.31 0.00 0.00 -0.01 0.00 0.00 57.00 56.68 4hir n GLN 11 Cb 0.00 -0.56 0.00 0.00 1.02 0.00 0.00 30.24 30.70 4hir n GLN 11 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 4hir n ASN 12 N -1.94 -0.80 -1.59 1.08 4.13 -1.22 -3.39 115.26 111.53 4hir n ASN 12 Ca 0.03 0.18 -0.00 0.00 1.68 0.00 0.00 54.58 56.46 4hir n ASN 12 Cb 0.13 1.12 -0.00 0.00 -1.54 0.00 0.00 39.78 39.49 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 -2.69 4.41 0.00 3.41 4.77 -1.20 -2.89 117.00 122.81 4hir n LEU 13 Ca 0.00 -1.99 0.00 0.00 -0.03 0.00 0.00 56.01 53.99 4hir n LEU 13 Cb 0.00 -0.93 0.00 0.00 -2.33 0.00 0.00 43.42 40.16 4hir n LEU 13 CO 0.00 0.84 0.00 0.00 -1.33 0.00 0.00 177.39 176.90 4hir s LEU 15 N 0.00 3.54 -0.00 0.00 1.43 -1.15 -1.11 118.68 121.39 4hir s LEU 15 Ca 0.00 -0.64 -0.01 0.00 -1.03 0.00 0.00 54.13 52.45 4hir s LEU 15 Cb 0.00 -1.82 -0.00 0.00 0.03 0.00 0.00 46.19 44.39 4hir s LEU 15 CO 0.00 -0.14 -0.01 0.00 0.23 0.00 0.00 176.35 176.43 4hir s GLU 17 N -1.14 3.19 6.71 0.00 2.02 -1.23 -4.66 118.70 123.59 4hir s GLU 17 Ca -0.01 -0.28 0.00 0.00 0.02 0.00 0.00 54.97 54.70 4hir s GLU 17 Cb 0.00 -4.31 0.00 0.00 0.10 0.00 0.00 34.13 29.93 4hir s GLU 17 CO 0.02 -2.19 0.00 0.41 0.02 0.00 0.00 175.26 173.51 4hir n GLY 18 N 5.55 2.41 0.46 -1.39 0.00 -1.26 -0.63 105.19 110.33 4hir n GLY 18 Ca 0.07 0.32 0.05 0.00 0.00 0.00 0.00 46.02 46.46 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 10.93 2.21 -4.71 1.61 2.88 -1.26 -4.97 113.62 120.31 4hir n SER 19 Ca 0.00 -1.64 -0.42 0.00 -1.33 0.00 0.00 58.87 55.48 4hir n SER 19 Cb 0.00 -0.08 -0.03 0.00 -0.75 0.00 0.00 64.21 63.35 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 -0.89 7.28 0.33 -3.46 0.01 0.20 -4.94 114.94 113.47 4hir s ASN 20 Ca 0.15 1.73 -0.26 0.00 -0.71 0.00 0.00 52.86 53.77 4hir s ASN 20 Cb 0.09 -2.57 -0.10 0.00 0.41 0.00 0.00 41.25 39.09 4hir s ASN 20 CO 0.13 -0.34 0.98 -0.69 -1.51 0.00 0.00 177.10 175.67 4hir s VAL 21 N 1.19 4.02 0.12 1.60 1.01 -1.26 -2.69 120.40 124.38 4hir s VAL 21 Ca 0.53 1.70 -0.14 0.00 0.00 0.00 0.00 61.98 64.07 4hir s VAL 21 Cb -0.23 -3.95 -0.07 0.00 0.00 0.00 0.00 36.38 32.14 4hir s VAL 21 CO 0.27 0.15 0.52 0.00 0.00 0.00 0.00 175.10 176.04 4hir s GLY 23 N -1.60 1.76 0.00 0.00 0.00 -1.25 -3.20 107.32 103.03 4hir s GLY 23 Ca 0.35 -1.73 0.00 0.00 0.00 0.00 0.00 44.72 43.34 4hir s GLY 23 CO 0.18 0.69 0.23 0.61 0.00 0.00 0.00 173.10 174.81 4hir n GLN 24 N 4.67 0.00 0.00 2.90 -0.00 -1.26 0.96 117.38 124.65 4hir n GLN 24 Ca -0.13 0.00 0.07 0.00 -0.00 0.00 0.00 57.00 56.93 4hir n GLN 24 Cb 0.44 -1.53 0.29 0.00 -0.00 0.00 0.00 30.24 29.45 4hir n GLN 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 4hir n GLY 25 N -0.66 -0.94 0.00 2.61 0.00 -1.26 -4.58 105.19 100.35 4hir n GLY 25 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.48 0.46 -4.51 1.61 3.02 0.27 -4.52 115.26 110.12 4hir n ASN 26 Ca 0.04 -0.73 -0.24 0.00 -0.03 0.00 0.00 54.58 53.61 4hir n ASN 26 Cb 0.15 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.22 4hir n ASN 26 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 4hir s LYS 27 N -1.19 1.74 0.07 3.52 2.20 0.85 -4.30 119.74 122.63 4hir s LYS 27 Ca 0.00 -1.92 0.02 0.00 -0.36 0.00 0.00 55.97 53.70 4hir s LYS 27 Cb 0.00 -1.38 -0.03 0.00 -1.51 0.00 0.00 37.83 34.91 4hir s LYS 27 CO 0.00 0.01 -0.07 0.00 -0.36 0.00 0.00 175.35 174.93 4hir s ILE 29 N -2.50 -0.11 0.09 0.00 -1.09 -0.49 0.13 121.20 117.23 4hir s ILE 29 Ca 0.00 0.19 -0.30 0.00 -2.23 0.00 0.00 60.65 58.31 4hir s ILE 29 Cb -0.02 -0.35 -0.05 0.00 -1.58 0.00 0.00 42.46 40.46 4hir s ILE 29 CO -0.03 0.08 1.02 -0.76 -1.23 0.00 0.00 174.94 174.03 4hir s LEU 30 N 1.49 4.44 0.00 2.97 1.43 -1.26 -0.75 118.68 127.00 4hir s LEU 30 Ca -0.07 1.84 0.00 0.00 -1.03 0.00 0.00 54.13 54.88 4hir s LEU 30 Cb -0.11 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.52 4hir s LEU 30 CO -0.08 -0.20 0.72 0.61 0.23 0.00 0.00 176.35 177.63 4hir n GLY 31 N 2.52 -3.26 0.00 -3.19 0.00 0.67 -4.85 105.19 97.07 4hir n GLY 31 Ca 0.04 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.58 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 -1.71 0.00 -3.69 1.61 2.88 -1.23 -4.85 113.62 106.63 4hir n SER 32 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 4hir n SER 32 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 4hir n SER 32 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 4hir n ASP 33 N 0.00 3.26 -0.41 -3.46 9.92 -1.26 -3.06 116.55 121.53 4hir n ASP 33 Ca 0.00 -2.77 -0.05 0.00 -0.53 0.00 0.00 54.79 51.44 4hir n ASP 33 Cb 0.00 -1.41 -0.02 0.00 -0.64 0.00 0.00 41.12 39.05 4hir n ASP 33 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 4hir n GLY 34 N 4.31 0.66 0.00 0.44 0.00 -1.26 -4.97 105.19 104.38 4hir n GLY 34 Ca 0.51 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.62 0.00 -0.70 1.61 1.02 -1.17 -5.04 120.64 113.73 4hir n GLU 35 Ca -0.05 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.80 4hir n GLU 35 Cb 0.23 0.00 0.22 0.00 -0.02 0.00 0.00 31.44 31.87 4hir n GLU 35 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 4hir s LYS 36 N 2.26 -0.24 0.15 3.49 1.02 -1.26 -4.72 119.74 120.44 4hir s LYS 36 Ca 0.00 0.93 -0.05 0.00 0.02 0.00 0.00 55.97 56.87 4hir s LYS 36 Cb 0.00 -1.63 -0.02 0.00 -0.52 0.00 0.00 37.83 35.66 4hir s LYS 36 CO 0.00 -3.29 0.18 -0.80 -0.92 0.00 0.00 175.35 170.52 4hir s ASN 37 N -2.73 0.16 0.01 2.83 -0.87 -1.26 0.24 114.94 113.31 4hir s ASN 37 Ca 0.67 -1.04 -0.24 0.00 -1.57 0.00 0.00 52.86 50.67 4hir s ASN 37 Cb -0.23 0.37 0.05 0.00 -0.02 0.00 0.00 41.25 41.43 4hir s ASN 37 CO 0.62 -0.82 0.55 -1.58 -2.57 0.00 0.00 177.10 173.30 4hir s GLN 38 N -4.01 0.99 -0.51 -0.60 0.74 0.07 -4.59 119.66 111.75 4hir s GLN 38 Ca 0.21 -0.05 0.03 0.00 0.05 0.00 0.00 55.36 55.60 4hir s GLN 38 Cb 0.05 0.46 0.14 0.00 1.10 0.00 0.00 33.01 34.76 4hir s GLN 38 CO 0.01 -0.33 0.30 0.00 -0.55 0.00 0.00 175.29 174.72 4hir s VAL 40 N -0.20 3.59 0.99 0.00 0.11 0.28 -4.85 120.40 120.33 4hir s VAL 40 Ca 0.20 -0.96 -0.17 0.00 -2.93 0.00 0.00 61.98 58.11 4hir s VAL 40 Cb -0.20 -2.62 -0.10 0.00 -1.53 0.00 0.00 36.38 31.94 4hir s VAL 40 CO -0.04 0.27 -0.54 1.07 -3.33 0.00 0.00 175.10 172.53 4hir n THR 41 N 1.16 0.00 0.00 5.04 5.66 -1.26 0.29 114.28 125.17 4hir n THR 41 Ca -0.14 -0.36 0.00 0.00 -3.05 0.00 0.00 64.05 60.50 4hir n THR 41 Cb 0.52 -0.19 0.00 0.00 -1.55 0.00 0.00 70.33 69.12 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 2.91 3.55 3.73 1.09 0.00 -1.26 -3.53 105.19 111.68 4hir n GLY 42 Ca 0.00 -1.58 -0.40 0.00 0.00 0.00 0.00 46.02 44.04 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 -4.64 4.49 0.00 1.61 2.02 -1.26 -0.42 118.70 120.49 4hir s GLU 43 Ca 0.00 1.06 0.00 0.00 0.02 0.00 0.00 54.97 56.05 4hir s GLU 43 Cb 0.00 -3.42 0.00 0.00 0.10 0.00 0.00 34.13 30.81 4hir s GLU 43 CO 0.00 0.13 0.00 0.41 0.02 0.00 0.00 175.26 175.82 4hir n GLY 44 N 2.77 5.90 3.64 -1.39 0.00 -1.26 -4.97 105.19 109.89 4hir n GLY 44 Ca -0.00 -1.58 -0.35 0.00 0.00 0.00 0.00 46.02 44.09 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 0.43 4.98 -0.15 2.61 -1.32 -1.24 -5.01 115.64 115.93 4hir s THR 45 Ca 0.00 0.04 -0.29 0.00 -1.21 0.00 0.00 61.69 60.23 4hir s THR 45 Cb 0.00 -3.27 -0.05 0.00 -1.51 0.00 0.00 72.50 67.67 4hir s THR 45 CO 0.00 0.42 1.87 -2.16 -2.21 0.00 0.00 174.62 172.54 4hir s PRO 46 N 0.64 3.71 -0.80 7.08 0.04 -1.26 -3.39 135.00 141.02 4hir s PRO 46 Ca 0.05 2.01 -0.22 0.00 0.04 0.00 0.00 61.00 62.88 4hir s PRO 46 Cb -0.13 -4.16 -0.19 0.00 0.04 0.00 0.00 34.50 30.07 4hir s PRO 46 CO 0.01 -1.42 2.10 -1.91 0.04 0.00 0.00 177.00 175.82 4hir n GLU 47 N 7.91 0.00 -1.56 4.56 2.13 -1.26 -4.67 120.64 127.75 4hir n GLU 47 Ca 0.22 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.64 4hir n GLU 47 Cb 0.44 -1.14 -0.04 0.00 0.27 0.00 0.00 31.44 30.97 4hir n GLU 47 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 4hir n PRO 48 N 6.45 1.32 0.00 5.31 -0.02 -1.26 -4.89 135.00 141.91 4hir n PRO 48 Ca 0.53 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 4hir n PRO 48 Cb 0.04 -3.22 0.00 0.00 -0.02 0.00 0.00 33.50 30.30 4hir n PRO 48 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52