#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h1j n SER 2 N 0.00 0.00 -1.57 1.61 3.41 -1.26 -5.15 113.62 110.66 1h1j n SER 2 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1h1j n SER 2 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1h1j n SER 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1h1j n ALA 3 N -3.00 -2.08 -1.80 7.33 0.00 -1.26 -5.07 120.51 114.63 1h1j n ALA 3 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1h1j n ALA 3 Cb 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.12 1h1j n ALA 3 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1h1j n ASP 4 N -0.04 0.00 -0.08 0.00 5.75 -1.26 -4.86 116.55 116.06 1h1j n ASP 4 Ca 0.00 0.00 0.26 0.00 -0.01 0.00 0.00 54.79 55.04 1h1j n ASP 4 Cb 0.00 0.00 0.69 0.00 -1.03 0.00 0.00 41.12 40.78 1h1j n ASP 4 CO 0.00 0.00 0.00 1.88 -0.11 0.00 0.00 177.20 178.97 1h1j h TYR 5 N 0.00 0.00 0.00 2.11 0.05 -1.94 -3.34 116.97 113.85 1h1j h TYR 5 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1h1j h TYR 5 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 1h1j h TYR 5 CO 0.00 0.00 0.00 0.45 -1.05 0.00 0.00 178.16 177.56 1h1j n SER 6 N -3.77 0.00 -2.73 3.88 2.88 -1.26 -1.56 113.62 111.05 1h1j n SER 6 Ca 0.15 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.60 1h1j n SER 6 Cb 0.95 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 64.49 1h1j n SER 6 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1h1j n SER 7 N -1.05 -1.02 -4.53 -3.46 7.64 -1.25 -4.93 113.62 105.01 1h1j n SER 7 Ca 0.00 -2.77 -0.29 0.00 1.01 0.00 0.00 58.87 56.82 1h1j n SER 7 Cb 0.00 0.70 0.18 0.00 -1.01 0.00 0.00 64.21 64.09 1h1j n SER 7 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1h1j s LEU 8 N -2.96 1.48 0.27 -3.43 1.43 -0.60 -4.97 118.68 109.90 1h1j s LEU 8 Ca 0.24 1.02 -0.29 0.00 -1.03 0.00 0.00 54.13 54.07 1h1j s LEU 8 Cb 0.39 -3.12 -0.09 0.00 0.03 0.00 0.00 46.19 43.39 1h1j s LEU 8 CO -0.05 -3.25 1.04 0.28 0.23 0.00 0.00 176.35 174.60 1h1j s THR 9 N -3.04 3.71 0.46 5.49 -1.32 -1.26 -4.78 115.64 114.90 1h1j s THR 9 Ca 0.66 1.69 0.27 0.00 -1.21 0.00 0.00 61.69 63.10 1h1j s THR 9 Cb -0.16 -4.06 0.46 0.00 -1.51 0.00 0.00 72.50 67.23 1h1j s THR 9 CO 0.57 0.38 1.77 1.62 -2.21 0.00 0.00 174.62 176.75 1h1j h VAL 10 N 3.05 0.44 -0.29 5.08 3.04 -1.94 0.25 116.25 125.89 1h1j h VAL 10 Ca -0.46 -0.07 -0.04 0.00 -1.01 0.00 0.00 66.70 65.12 1h1j h VAL 10 Cb 1.21 0.21 -0.01 0.00 -2.01 0.00 0.00 31.29 30.69 1h1j h VAL 10 CO 0.67 0.04 0.03 1.62 -1.01 0.00 0.00 177.57 178.92 1h1j h VAL 11 N 0.21 1.24 -0.08 1.51 3.04 -1.99 -1.43 116.25 118.75 1h1j h VAL 11 Ca 0.60 -0.86 -0.17 0.00 -1.01 0.00 0.00 66.70 65.27 1h1j h VAL 11 Cb 1.90 1.24 -0.01 0.00 -2.01 0.00 0.00 31.29 32.41 1h1j h VAL 11 CO -0.19 0.28 -0.66 0.06 -1.01 0.00 0.00 177.57 176.04 1h1j h GLN 12 N 0.30 0.34 -0.99 4.17 -0.00 -1.00 -0.42 115.11 117.52 1h1j h GLN 12 Ca 0.09 -0.26 0.05 0.00 -0.00 0.00 0.00 58.65 58.53 1h1j h GLN 12 Cb 0.38 0.05 -0.06 0.00 -0.00 0.00 0.00 27.48 27.84 1h1j h GLN 12 CO 0.01 0.89 0.64 -0.07 -0.00 0.00 0.00 178.83 180.30 1h1j h LEU 13 N 0.25 1.06 -1.04 0.06 4.07 -0.68 0.39 115.31 119.41 1h1j h LEU 13 Ca -0.02 -0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.85 1h1j h LEU 13 Cb 1.21 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.70 1h1j h LEU 13 CO 0.11 0.70 -0.32 0.11 -1.08 0.00 0.00 178.44 177.96 1h1j h LYS 14 N 1.21 0.28 -0.02 1.13 1.57 -0.86 -2.13 116.57 117.74 1h1j h LYS 14 Ca 0.41 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1h1j h LYS 14 Cb 0.08 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 1h1j h LYS 14 CO -0.15 0.57 0.00 0.22 -0.57 0.00 0.00 179.45 179.53 1h1j h ASP 15 N 0.24 0.04 -0.37 0.86 1.82 0.14 0.51 116.42 119.67 1h1j h ASP 15 Ca 0.03 -0.28 -0.04 0.00 -0.39 0.00 0.00 57.03 56.36 1h1j h ASP 15 Cb 0.69 -0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.68 1h1j h ASP 15 CO 0.05 0.31 0.09 0.17 -1.61 0.00 0.00 179.24 178.24 1h1j h LEU 16 N -0.23 0.56 -0.89 2.28 -0.00 -0.96 -1.41 115.31 114.66 1h1j h LEU 16 Ca 0.01 -0.23 -0.10 0.00 -0.00 0.00 0.00 57.88 57.55 1h1j h LEU 16 Cb 0.29 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 40.78 1h1j h LEU 16 CO 0.00 0.65 -0.29 -0.07 -0.00 0.00 0.00 178.44 178.73 1h1j h LEU 17 N 0.44 0.48 -0.67 0.17 3.38 -1.35 0.50 115.31 118.27 1h1j h LEU 17 Ca 0.11 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.92 1h1j h LEU 17 Cb 0.31 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1h1j h LEU 17 CO 0.00 0.76 0.44 0.74 0.09 0.00 0.00 178.44 180.47 1h1j h THR 18 N 0.41 1.16 0.00 0.22 2.02 0.33 0.13 112.91 117.19 1h1j h THR 18 Ca 0.06 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.93 1h1j h THR 18 Cb 0.72 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 1h1j h THR 18 CO 0.06 0.16 0.00 0.29 0.37 0.00 0.00 175.52 176.40 1h1j n LYS 19 N -4.63 0.19 -0.11 6.66 5.02 -0.56 -2.96 118.16 121.78 1h1j n LYS 19 Ca 0.06 0.19 0.06 0.00 -2.02 0.00 0.00 58.31 56.60 1h1j n LYS 19 Cb 0.02 -1.73 0.23 0.00 -0.02 0.00 0.00 35.03 33.53 1h1j n LYS 19 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1h1j n ARG 20 N -2.07 1.59 -1.45 1.97 0.63 0.17 -4.84 116.66 112.67 1h1j n ARG 20 Ca 0.05 -0.91 -0.15 0.00 -0.92 0.00 0.00 57.85 55.92 1h1j n ARG 20 Cb 0.38 -1.27 -0.07 0.00 0.45 0.00 0.00 32.46 31.96 1h1j n ARG 20 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1h1j n ASN 21 N 0.20 -5.00 -3.67 6.15 5.15 -1.00 -4.93 115.26 112.16 1h1j n ASN 21 Ca 0.11 0.38 -0.10 0.00 -0.60 0.00 0.00 54.58 54.38 1h1j n ASN 21 Cb 0.24 -3.86 -0.10 0.00 -0.53 0.00 0.00 39.78 35.52 1h1j n ASN 21 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1h1j s LEU 22 N -3.52 -0.42 0.00 1.20 1.98 -0.26 -5.05 118.68 112.61 1h1j s LEU 22 Ca 0.00 0.90 0.00 0.00 -2.89 0.00 0.00 54.13 52.14 1h1j s LEU 22 Cb 0.00 1.25 0.00 0.00 0.66 0.00 0.00 46.19 48.10 1h1j s LEU 22 CO 0.00 -0.22 0.00 -1.20 -1.89 0.00 0.00 176.35 173.04 1h1j n SER 23 N 5.03 0.00 -4.70 3.68 7.64 -1.25 -3.33 113.62 120.68 1h1j n SER 23 Ca -0.13 -0.81 -0.23 0.00 1.01 0.00 0.00 58.87 58.71 1h1j n SER 23 Cb 0.51 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.65 1h1j n SER 23 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1h1j s VAL 24 N -0.80 3.66 0.00 0.44 -7.23 -1.26 -4.88 120.40 110.33 1h1j s VAL 24 Ca 0.00 -1.75 0.00 0.00 -1.81 0.00 0.00 61.98 58.42 1h1j s VAL 24 Cb 0.00 -3.01 0.00 0.00 0.56 0.00 0.00 36.38 33.93 1h1j s VAL 24 CO 0.00 -0.35 0.00 0.61 -0.31 0.00 0.00 175.10 175.05 1h1j n GLY 25 N -1.00 -1.05 0.00 2.32 0.00 -1.26 -4.94 105.19 99.26 1h1j n GLY 25 Ca -0.06 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1h1j n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h1j n GLY 26 N 0.00 0.18 3.43 -0.02 0.00 -1.26 -4.91 105.19 102.60 1h1j n GLY 26 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1h1j n GLY 26 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1h1j s LEU 27 N -0.95 0.15 0.14 0.99 2.34 -1.26 -4.61 118.68 115.48 1h1j s LEU 27 Ca 0.00 1.27 -0.18 0.00 0.06 0.00 0.00 54.13 55.28 1h1j s LEU 27 Cb 0.00 -3.01 -0.02 0.00 -0.56 0.00 0.00 46.19 42.61 1h1j s LEU 27 CO 0.00 -4.61 1.79 0.11 -1.06 0.00 0.00 176.35 172.59 1h1j h LYS 28 N -2.90 0.39 -0.38 1.48 1.79 -1.99 -0.65 116.57 114.32 1h1j h LYS 28 Ca -0.57 -0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 57.85 1h1j h LYS 28 Cb 1.34 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.88 1h1j h LYS 28 CO 0.44 0.26 0.12 -0.91 -1.08 0.00 0.00 179.45 178.28 1h1j h ASN 29 N 0.41 0.49 -0.41 0.86 2.35 -1.98 0.23 115.58 117.52 1h1j h ASN 29 Ca 0.12 -0.06 -0.11 0.00 -0.55 0.00 0.00 56.30 55.70 1h1j h ASN 29 Cb -0.04 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 1h1j h ASN 29 CO -0.03 0.48 -0.13 -0.33 -1.65 0.00 0.00 177.43 175.76 1h1j h GLU 30 N 0.53 0.88 -0.12 0.81 4.39 -1.71 0.46 114.58 119.81 1h1j h GLU 30 Ca 0.13 -0.32 -0.01 0.00 0.34 0.00 0.00 59.36 59.50 1h1j h GLU 30 Cb 0.17 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1h1j h GLU 30 CO -0.01 0.96 0.02 -0.07 -1.16 0.00 0.00 179.01 178.75 1h1j h LEU 31 N 0.78 0.19 -0.47 1.33 -0.00 0.09 0.47 115.31 117.70 1h1j h LEU 31 Ca 0.12 -0.25 0.01 0.00 -0.00 0.00 0.00 57.88 57.77 1h1j h LEU 31 Cb 0.65 -0.05 -0.03 0.00 -0.00 0.00 0.00 40.66 41.23 1h1j h LEU 31 CO 0.05 0.40 0.30 0.58 -0.00 0.00 0.00 178.44 179.76 1h1j h VAL 32 N -0.02 1.08 -0.31 1.22 2.07 -0.30 -1.20 116.25 118.80 1h1j h VAL 32 Ca 0.04 -0.21 -0.10 0.00 0.82 0.00 0.00 66.70 67.25 1h1j h VAL 32 Cb 0.28 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1h1j h VAL 32 CO 0.00 0.11 -0.23 1.56 0.02 0.00 0.00 177.57 179.03 1h1j h GLN 33 N 0.60 0.59 -0.31 1.57 1.08 0.12 -1.95 115.11 116.82 1h1j h GLN 33 Ca 0.18 -0.23 -0.09 0.00 -1.45 0.00 0.00 58.65 57.07 1h1j h GLN 33 Cb -0.02 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.36 1h1j h GLN 33 CO -0.06 0.78 -0.15 -0.09 -0.95 0.00 0.00 178.83 178.36 1h1j h ARG 34 N 0.52 0.65 -0.12 1.46 2.43 0.59 0.50 114.38 120.40 1h1j h ARG 34 Ca 0.08 -0.28 -0.04 0.00 -0.81 0.00 0.00 59.98 58.92 1h1j h ARG 34 Cb 0.68 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.21 1h1j h ARG 34 CO 0.05 0.87 -0.09 -0.07 -1.51 0.00 0.00 179.97 179.22 1h1j h LEU 35 N 0.40 0.29 -0.45 3.80 3.38 -1.19 0.42 115.31 121.97 1h1j h LEU 35 Ca 0.07 -0.45 -0.12 0.00 0.09 0.00 0.00 57.88 57.47 1h1j h LEU 35 Cb 0.67 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1h1j h LEU 35 CO 0.04 0.68 -0.18 0.40 0.09 0.00 0.00 178.44 179.47 1h1j h ILE 36 N -0.09 1.27 -0.16 1.22 2.04 -1.37 0.34 117.51 120.76 1h1j h ILE 36 Ca 0.02 -1.33 -0.09 0.00 1.00 0.00 0.00 64.86 64.46 1h1j h ILE 36 Cb 0.59 1.18 -0.00 0.00 -0.74 0.00 0.00 36.82 37.84 1h1j h ILE 36 CO 0.02 0.46 -0.26 0.50 0.00 0.00 0.00 178.15 178.87 1h1j h LYS 37 N 0.76 0.46 -0.36 2.37 3.11 0.00 0.27 116.57 123.18 1h1j h LYS 37 Ca 0.10 -0.28 -0.10 0.00 -2.81 0.00 0.00 60.65 57.57 1h1j h LYS 37 Cb 0.75 0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 32.00 1h1j h LYS 37 CO 0.06 0.87 -0.16 0.22 -2.81 0.00 0.00 179.45 177.63 1h1j h ASP 38 N 0.08 0.75 0.50 4.20 3.58 -0.13 -2.81 116.42 122.60 1h1j h ASP 38 Ca 0.01 -0.40 -0.16 0.00 0.42 0.00 0.00 57.03 56.90 1h1j h ASP 38 Cb 0.83 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.66 1h1j h ASP 38 CO 0.06 0.99 -0.70 -0.78 -2.88 0.00 0.00 179.24 175.92 1h1j h ASP 39 N 0.52 0.20 -0.62 2.28 3.58 -0.35 -3.19 116.42 118.84 1h1j h ASP 39 Ca 0.08 -0.13 -0.01 0.00 0.42 0.00 0.00 57.03 57.39 1h1j h ASP 39 Cb 0.69 -0.06 -0.03 0.00 1.72 0.00 0.00 39.33 41.65 1h1j h ASP 39 CO 0.05 0.84 0.35 -0.33 -2.88 0.00 0.00 179.24 177.26 1h1j h GLU 40 N 0.11 0.86 -2.89 0.28 4.39 -0.36 -3.46 114.58 113.50 1h1j h GLU 40 Ca -0.02 -0.10 -0.32 0.00 0.34 0.00 0.00 59.36 59.27 1h1j h GLU 40 Cb 1.25 -0.17 0.01 0.00 -0.10 0.00 0.00 28.75 29.74 1h1j h GLU 40 CO 0.10 0.64 -0.44 -1.91 -1.16 0.00 0.00 179.01 176.24 1h1j n GLU 41 N -4.57 -2.46 0.00 2.33 4.07 -1.07 -3.78 120.64 115.16 1h1j n GLU 41 Ca 0.04 0.75 0.00 0.00 -0.06 0.00 0.00 57.16 57.90 1h1j n GLU 41 Cb 0.08 -5.17 0.00 0.00 -0.06 0.00 0.00 31.44 26.29 1h1j n GLU 41 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1h1j n SER 42 N -1.31 0.00 -4.91 4.31 2.88 -1.26 -4.77 113.62 108.56 1h1j n SER 42 Ca -0.14 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.15 1h1j n SER 42 Cb 0.62 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.05 1h1j n SER 42 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1h1j s LYS 43 N 0.00 3.26 0.00 -1.46 3.01 -1.25 -5.23 119.74 118.08 1h1j s LYS 43 Ca 0.00 -0.76 0.06 0.00 -1.01 0.00 0.00 55.97 54.26 1h1j s LYS 43 Cb 0.00 -2.82 0.38 0.00 -1.01 0.00 0.00 37.83 34.38 1h1j s LYS 43 CO 0.00 0.47 0.85 0.41 0.51 0.00 0.00 175.35 177.59