#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hpt s SER 2 N 0.00 2.59 -0.36 -1.12 0.01 -1.26 -5.03 113.70 108.52 1hpt s SER 2 Ca 0.00 -0.70 0.07 0.00 1.31 0.00 0.00 55.95 56.62 1hpt s SER 2 Cb 0.00 -0.14 0.59 0.00 0.21 0.00 0.00 66.02 66.68 1hpt s SER 2 CO 0.00 0.06 1.68 0.18 0.41 0.00 0.00 173.24 175.57 1hpt n LEU 3 N 1.01 5.37 0.00 2.44 4.32 -1.26 -5.02 117.00 123.86 1hpt n LEU 3 Ca -0.19 -3.67 0.00 0.00 -0.02 0.00 0.00 56.01 52.13 1hpt n LEU 3 Cb 0.54 -0.73 0.00 0.00 -1.62 0.00 0.00 43.42 41.61 1hpt n LEU 3 CO 0.23 1.14 0.00 0.61 -1.22 0.00 0.00 177.39 178.15 1hpt n GLY 4 N -1.08 -0.67 3.44 -0.72 0.00 -1.26 -4.43 105.19 100.47 1hpt n GLY 4 Ca 0.45 -1.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.21 1hpt n GLY 4 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1hpt s ARG 5 N -1.57 1.58 0.23 1.61 1.70 -0.30 -4.84 118.95 117.37 1hpt s ARG 5 Ca 0.00 -1.69 -0.30 0.00 -0.47 0.00 0.00 55.73 53.27 1hpt s ARG 5 Cb 0.00 -1.65 -0.09 0.00 -0.57 0.00 0.00 34.95 32.64 1hpt s ARG 5 CO 0.00 0.31 1.34 -2.00 -1.08 0.00 0.00 175.30 173.87 1hpt s GLU 6 N -3.40 4.36 -0.09 3.89 2.12 -1.26 -0.55 118.70 123.78 1hpt s GLU 6 Ca 0.27 2.13 -0.27 0.00 0.36 0.00 0.00 54.97 57.46 1hpt s GLU 6 Cb -0.05 -3.15 -0.02 0.00 0.26 0.00 0.00 34.13 31.17 1hpt s GLU 6 CO 0.13 -0.27 0.88 0.00 -0.54 0.00 0.00 175.26 175.46 1hpt s ALA 7 N -0.14 3.35 0.09 6.30 0.00 -1.26 -4.88 121.76 125.22 1hpt s ALA 7 Ca 0.56 0.27 -0.04 0.00 0.00 0.00 0.00 51.96 52.75 1hpt s ALA 7 Cb -0.38 -3.24 -0.05 0.00 0.00 0.00 0.00 23.12 19.45 1hpt s ALA 7 CO 0.42 -0.40 0.31 0.15 0.00 0.00 0.00 175.76 176.23 1hpt s LYS 8 N 1.50 3.57 0.00 0.00 -0.14 -1.26 -4.57 119.74 118.84 1hpt s LYS 8 Ca 0.44 -0.17 0.23 0.00 -1.36 0.00 0.00 55.97 55.11 1hpt s LYS 8 Cb -0.18 -2.96 0.46 0.00 -1.68 0.00 0.00 37.83 33.47 1hpt s LYS 8 CO 0.19 0.55 1.42 0.00 -0.76 0.00 0.00 175.35 176.75 1hpt n TYR 10 N 1.26 -1.74 -1.69 0.00 4.02 -1.26 -1.16 117.16 116.59 1hpt n TYR 10 Ca 0.18 0.38 -0.18 0.00 -0.01 0.00 0.00 57.90 58.27 1hpt n TYR 10 Cb 0.56 -3.20 -0.06 0.00 -0.02 0.00 0.00 39.34 36.62 1hpt n TYR 10 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1hpt n ASN 11 N -2.23 -5.13 -4.66 7.72 3.02 -1.26 -4.96 115.26 107.76 1hpt n ASN 11 Ca -0.06 0.34 -0.43 0.00 -0.03 0.00 0.00 54.58 54.40 1hpt n ASN 11 Cb 0.57 -4.19 -0.02 0.00 -0.61 0.00 0.00 39.78 35.53 1hpt n ASN 11 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1hpt s GLU 12 N -3.79 4.23 0.00 3.52 0.41 -0.31 -4.94 118.70 117.82 1hpt s GLU 12 Ca 0.00 1.77 -0.10 0.00 -0.41 0.00 0.00 54.97 56.22 1hpt s GLU 12 Cb 0.00 -3.80 -0.06 0.00 -1.78 0.00 0.00 34.13 28.49 1hpt s GLU 12 CO 0.00 -0.73 0.81 -0.07 -0.49 0.00 0.00 175.26 174.78 1hpt h LEU 13 N 9.76 -0.32 0.00 1.80 -0.00 -1.93 -3.42 115.31 121.21 1hpt h LEU 13 Ca -0.29 0.01 -0.31 0.00 -0.00 0.00 0.00 57.88 57.29 1hpt h LEU 13 Cb 1.12 0.08 -0.06 0.00 -0.00 0.00 0.00 40.66 41.80 1hpt h LEU 13 CO 0.96 -0.15 -2.16 0.59 -0.00 0.00 0.00 178.44 177.69 1hpt n ASN 14 N -3.42 0.99 -3.31 -0.43 5.03 -1.26 -5.06 115.26 107.80 1hpt n ASN 14 Ca -0.05 -0.01 -0.04 0.00 0.87 0.00 0.00 54.58 55.35 1hpt n ASN 14 Cb 0.15 0.81 0.02 0.00 -1.02 0.00 0.00 39.78 39.73 1hpt n ASN 14 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1hpt s GLY 15 N -5.15 0.13 0.30 7.41 0.00 -1.26 -5.17 107.32 103.59 1hpt s GLY 15 Ca -0.10 -0.38 0.05 0.00 0.00 0.00 0.00 44.72 44.28 1hpt s GLY 15 CO 0.67 1.62 0.44 0.00 0.00 0.00 0.00 173.10 175.83 1hpt s THR 17 N -2.12 2.00 -0.64 0.00 -4.23 -1.26 -4.95 115.64 104.44 1hpt s THR 17 Ca 0.39 -0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.89 1hpt s THR 17 Cb -0.09 -3.00 0.47 0.00 1.34 0.00 0.00 72.50 71.22 1hpt s THR 17 CO 0.31 0.00 2.02 -1.22 -0.54 0.00 0.00 174.62 175.20 1hpt n TYR 18 N -3.47 3.20 -2.38 3.99 4.01 -1.26 -4.93 117.16 116.31 1hpt n TYR 18 Ca 0.11 -2.89 -0.42 0.00 -0.16 0.00 0.00 57.90 54.54 1hpt n TYR 18 Cb 0.60 -1.39 -0.03 0.00 -0.31 0.00 0.00 39.34 38.21 1hpt n TYR 18 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1hpt s GLU 19 N -3.75 4.43 -0.51 -0.72 2.12 -1.26 -4.97 118.70 114.04 1hpt s GLU 19 Ca 0.64 1.82 -0.19 0.00 0.36 0.00 0.00 54.97 57.60 1hpt s GLU 19 Cb 0.50 -3.32 0.06 0.00 0.26 0.00 0.00 34.13 31.63 1hpt s GLU 19 CO 0.00 -0.26 0.63 -0.47 -0.54 0.00 0.00 175.26 174.63 1hpt s TYR 20 N 0.91 3.04 -0.44 5.30 5.04 -1.26 -4.46 117.35 125.48 1hpt s TYR 20 Ca 0.59 -0.52 0.05 0.00 -2.44 0.00 0.00 57.07 54.74 1hpt s TYR 20 Cb -0.31 -3.56 0.17 0.00 0.35 0.00 0.00 41.96 38.62 1hpt s TYR 20 CO 0.30 -1.04 0.47 0.50 -1.34 0.00 0.00 175.55 174.44 1hpt s ARG 21 N 2.67 0.91 0.35 4.97 3.52 0.43 -5.01 118.95 126.79 1hpt s ARG 21 Ca 0.16 -1.56 -0.28 0.00 -0.13 0.00 0.00 55.73 53.91 1hpt s ARG 21 Cb -0.19 -0.86 -0.10 0.00 -1.56 0.00 0.00 34.95 32.23 1hpt s ARG 21 CO 0.12 -1.34 1.33 -2.14 -0.81 0.00 0.00 175.30 172.47 1hpt s PRO 22 N 0.56 4.26 0.10 5.12 0.02 -1.10 -3.68 135.00 140.27 1hpt s PRO 22 Ca 0.29 2.26 0.08 0.00 0.02 0.00 0.00 61.00 63.65 1hpt s PRO 22 Cb -0.01 -3.01 -0.03 0.00 0.02 0.00 0.00 34.50 31.47 1hpt s PRO 22 CO -0.12 -0.29 -0.19 0.14 -0.33 0.00 0.00 177.00 176.21 1hpt s VAL 23 N -1.16 1.59 -0.26 3.83 -7.23 -0.15 -0.95 120.40 116.07 1hpt s VAL 23 Ca 0.51 -1.54 -0.16 0.00 -1.81 0.00 0.00 61.98 58.97 1hpt s VAL 23 Cb -0.41 -1.49 -0.03 0.00 0.56 0.00 0.00 36.38 35.01 1hpt s VAL 23 CO 0.54 -0.13 0.43 0.00 -0.31 0.00 0.00 175.10 175.62 1hpt s GLY 25 N 1.52 1.59 0.00 0.00 0.00 0.09 -0.80 107.32 109.73 1hpt s GLY 25 Ca 0.18 -0.35 0.17 0.00 0.00 0.00 0.00 44.72 44.72 1hpt s GLY 25 CO 0.09 -0.10 1.49 -1.30 0.00 0.00 0.00 173.10 173.28 1hpt n THR 26 N -2.60 0.45 1.41 0.90 -2.24 -0.06 -0.84 114.28 111.30 1hpt n THR 26 Ca 0.04 0.11 0.14 0.00 -2.27 0.00 0.00 64.05 62.07 1hpt n THR 26 Cb 0.55 -0.83 0.58 0.00 -2.10 0.00 0.00 70.33 68.53 1hpt n THR 26 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1hpt n ASP 27 N -1.25 0.59 0.00 3.42 5.75 -1.26 -4.94 116.55 118.85 1hpt n ASP 27 Ca 0.09 -0.68 0.00 0.00 -0.01 0.00 0.00 54.79 54.18 1hpt n ASP 27 Cb 0.13 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 1hpt n ASP 27 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1hpt n GLY 28 N 1.27 0.79 3.87 6.12 0.00 -0.02 -5.04 105.19 112.18 1hpt n GLY 28 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 1hpt n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1hpt s ASP 29 N -2.82 6.45 0.08 1.61 1.01 -1.26 -4.86 116.67 116.89 1hpt s ASP 29 Ca 0.00 0.54 -0.28 0.00 0.71 0.00 0.00 52.55 53.52 1hpt s ASP 29 Cb 0.00 -2.10 -0.05 0.00 1.01 0.00 0.00 42.92 41.78 1hpt s ASP 29 CO 0.00 0.39 0.90 -0.89 0.21 0.00 0.00 175.17 175.78 1hpt s THR 30 N -1.01 4.60 -0.10 -1.27 2.01 -1.26 -0.73 115.64 117.88 1hpt s THR 30 Ca 0.16 1.93 0.01 0.00 0.31 0.00 0.00 61.69 64.09 1hpt s THR 30 Cb -0.13 -4.26 -0.02 0.00 0.01 0.00 0.00 72.50 68.11 1hpt s THR 30 CO 0.05 0.32 -0.11 -0.31 -0.69 0.00 0.00 174.62 173.88 1hpt s TYR 31 N 0.05 2.82 0.60 4.92 1.51 0.04 -4.97 117.35 122.32 1hpt s TYR 31 Ca 0.45 -0.39 0.30 0.00 -1.01 0.00 0.00 57.07 56.41 1hpt s TYR 31 Cb -0.22 -1.79 1.79 0.00 -0.11 0.00 0.00 41.96 41.63 1hpt s TYR 31 CO 0.27 -0.02 2.20 -1.35 -1.11 0.00 0.00 175.55 175.55 1hpt h PRO 32 N 6.17 0.00 -2.08 -1.71 0.11 -1.89 -0.38 132.00 132.22 1hpt h PRO 32 Ca -0.34 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.79 1hpt h PRO 32 Cb 1.19 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.12 1hpt h PRO 32 CO 0.55 0.00 0.37 0.54 -0.21 0.00 0.00 178.00 179.25 1hpt s ASN 33 N -5.95 -0.49 0.30 -2.05 2.20 -1.24 -0.43 114.94 107.28 1hpt s ASN 33 Ca -0.05 0.34 0.05 0.00 -0.94 0.00 0.00 52.86 52.27 1hpt s ASN 33 Cb 0.15 0.44 0.73 0.00 -2.00 0.00 0.00 41.25 40.57 1hpt s ASN 33 CO 0.54 -0.58 1.76 -0.08 -2.94 0.00 0.00 177.10 175.79 1hpt h GLU 34 N 2.48 0.67 -0.24 3.55 4.81 -1.83 -2.83 114.58 121.18 1hpt h GLU 34 Ca -0.24 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 58.86 1hpt h GLU 34 Cb 1.20 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 1hpt h GLU 34 CO 0.34 0.44 -0.23 0.00 -0.73 0.00 0.00 179.01 178.83 1hpt h VAL 36 N 0.40 0.90 -0.14 0.00 -1.51 -1.84 -1.28 116.25 112.78 1hpt h VAL 36 Ca 0.06 -1.27 -0.06 0.00 -1.23 0.00 0.00 66.70 64.21 1hpt h VAL 36 Cb 0.63 1.76 -0.00 0.00 -2.13 0.00 0.00 31.29 31.54 1hpt h VAL 36 CO 0.05 0.32 -0.13 0.25 -1.23 0.00 0.00 177.57 176.83 1hpt h LEU 37 N 0.00 0.36 -0.15 4.19 6.46 -1.45 -1.23 115.31 123.49 1hpt h LEU 37 Ca -0.00 -0.47 0.02 0.00 -0.12 0.00 0.00 57.88 57.31 1hpt h LEU 37 Cb 0.73 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.54 1hpt h LEU 37 CO 0.04 0.75 0.01 0.00 -0.62 0.00 0.00 178.44 178.63 1hpt h PHE 39 N 0.07 0.00 -0.47 0.00 -1.00 -1.32 -0.63 116.94 113.59 1hpt h PHE 39 Ca 0.07 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.76 1hpt h PHE 39 Cb 0.07 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.62 1hpt h PHE 39 CO -0.14 0.18 -0.06 1.49 -1.61 0.00 0.00 178.31 178.17 1hpt h GLU 40 N 0.00 0.87 -0.47 1.51 4.57 -0.26 -0.81 114.58 119.99 1hpt h GLU 40 Ca -0.00 -0.31 -0.10 0.00 -1.18 0.00 0.00 59.36 57.76 1hpt h GLU 40 Cb 0.32 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.83 1hpt h GLU 40 CO 0.02 0.95 -0.12 -0.91 -1.18 0.00 0.00 179.01 177.77 1hpt h ASN 41 N 0.72 0.88 -0.71 1.04 2.35 -0.20 -1.61 115.58 118.05 1hpt h ASN 41 Ca 0.12 -0.28 -0.07 0.00 -0.55 0.00 0.00 56.30 55.52 1hpt h ASN 41 Cb 0.59 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.70 1hpt h ASN 41 CO 0.04 1.01 0.17 0.03 -1.65 0.00 0.00 177.43 177.02 1hpt h ARG 42 N 0.79 1.14 0.00 0.81 3.08 -0.81 0.20 114.38 119.59 1hpt h ARG 42 Ca 0.13 -0.28 -0.15 0.00 0.07 0.00 0.00 59.98 59.75 1hpt h ARG 42 Cb 0.64 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 1hpt h ARG 42 CO 0.04 1.01 -0.69 0.87 -1.07 0.00 0.00 179.97 180.13 1hpt h LYS 43 N 1.08 0.00 -0.00 0.04 1.57 -0.90 -3.32 116.57 115.04 1hpt h LYS 43 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1hpt h LYS 43 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1hpt h LYS 43 CO 0.00 0.69 -0.60 0.54 -0.57 0.00 0.00 179.45 179.52 1hpt n ARG 44 N -3.41 2.75 -3.49 3.15 1.74 -0.63 -5.01 116.66 111.77 1hpt n ARG 44 Ca 0.00 -0.02 -0.19 0.00 -0.77 0.00 0.00 57.85 56.88 1hpt n ARG 44 Cb 0.76 -1.11 0.08 0.00 -1.02 0.00 0.00 32.46 31.18 1hpt n ARG 44 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1hpt n GLN 45 N -1.27 -6.67 -3.58 5.56 1.13 0.70 -5.03 117.38 108.21 1hpt n GLN 45 Ca 0.02 0.82 -0.23 0.00 -1.94 0.00 0.00 57.00 55.68 1hpt n GLN 45 Cb 0.20 -5.80 0.01 0.00 0.11 0.00 0.00 30.24 24.75 1hpt n GLN 45 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1hpt s THR 46 N -3.38 2.03 -0.35 5.09 -4.23 -1.13 -5.07 115.64 108.59 1hpt s THR 46 Ca 0.10 -1.32 0.15 0.00 -1.18 0.00 0.00 61.69 59.44 1hpt s THR 46 Cb -0.05 -2.35 0.41 0.00 1.34 0.00 0.00 72.50 71.86 1hpt s THR 46 CO 0.74 0.00 0.91 -1.54 -0.54 0.00 0.00 174.62 174.19 1hpt n SER 47 N -1.84 0.80 -4.71 3.99 3.41 -1.26 -4.77 113.62 109.23 1hpt n SER 47 Ca 0.04 -2.84 -0.42 0.00 -0.26 0.00 0.00 58.87 55.39 1hpt n SER 47 Cb 0.63 -0.32 -0.03 0.00 -0.26 0.00 0.00 64.21 64.22 1hpt n SER 47 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1hpt s ILE 48 N -2.47 3.42 0.58 -1.33 -1.09 -1.26 -5.02 121.20 114.03 1hpt s ILE 48 Ca 0.31 1.01 0.08 0.00 -2.23 0.00 0.00 60.65 59.81 1hpt s ILE 48 Cb 0.41 -3.65 0.08 0.00 -1.58 0.00 0.00 42.46 37.72 1hpt s ILE 48 CO -0.02 0.07 0.66 -0.76 -1.23 0.00 0.00 174.94 173.67 1hpt s LEU 49 N 1.21 2.86 -0.26 2.97 1.43 -1.26 -4.63 118.68 121.00 1hpt s LEU 49 Ca 0.64 -1.07 -0.12 0.00 -1.03 0.00 0.00 54.13 52.55 1hpt s LEU 49 Cb -0.36 -1.33 -0.05 0.00 0.03 0.00 0.00 46.19 44.49 1hpt s LEU 49 CO 0.30 -1.33 0.22 -0.63 0.23 0.00 0.00 176.35 175.14 1hpt s ILE 50 N -2.75 5.30 0.02 -0.59 1.01 0.29 -0.88 121.20 123.60 1hpt s ILE 50 Ca 0.51 0.28 -0.20 0.00 0.00 0.00 0.00 60.65 61.23 1hpt s ILE 50 Cb -0.04 -3.56 -0.17 0.00 0.01 0.00 0.00 42.46 38.70 1hpt s ILE 50 CO 0.32 0.27 1.25 1.56 0.00 0.00 0.00 174.94 178.34 1hpt h GLN 51 N 7.94 0.38 -2.04 2.79 4.20 -1.18 -0.79 115.11 126.41 1hpt h GLN 51 Ca -0.36 -0.26 0.24 0.00 0.06 0.00 0.00 58.65 58.33 1hpt h GLN 51 Cb 1.18 0.04 -0.08 0.00 0.30 0.00 0.00 27.48 28.91 1hpt h GLN 51 CO 0.62 0.88 0.67 -1.59 -0.67 0.00 0.00 178.83 178.73 1hpt s LYS 52 N -3.87 0.86 0.48 1.46 -2.85 -1.24 -4.80 119.74 109.77 1hpt s LYS 52 Ca -0.14 -0.50 -0.04 0.00 -1.00 0.00 0.00 55.97 54.29 1hpt s LYS 52 Cb 0.04 0.27 -0.02 0.00 -2.06 0.00 0.00 37.83 36.07 1hpt s LYS 52 CO 0.77 -0.40 0.75 -1.12 0.10 0.00 0.00 175.35 175.46 1hpt s SER 53 N -3.13 6.07 0.00 0.03 0.01 -1.26 -1.55 113.70 113.86 1hpt s SER 53 Ca 0.17 0.70 0.00 0.00 1.31 0.00 0.00 55.95 58.13 1hpt s SER 53 Cb 0.01 -1.99 0.00 0.00 0.21 0.00 0.00 66.02 64.25 1hpt s SER 53 CO 0.00 -0.65 0.00 0.61 0.41 0.00 0.00 173.24 173.62 1hpt n GLY 54 N -2.22 1.31 3.51 3.44 0.00 -0.12 -4.75 105.19 106.35 1hpt n GLY 54 Ca 0.01 -1.86 -0.31 0.00 0.00 0.00 0.00 46.02 43.85 1hpt n GLY 54 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1hpt n PRO 55 N 1.38 -0.86 0.00 1.61 -0.02 -1.26 -2.03 135.00 133.83 1hpt n PRO 55 Ca 0.00 -0.20 0.16 0.00 -2.02 0.00 0.00 63.50 61.43 1hpt n PRO 55 Cb 0.00 -2.09 0.85 0.00 -0.02 0.00 0.00 33.50 32.24 1hpt n PRO 55 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48