#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df6 h THR 3 N 0.00 1.31 -0.59 5.18 2.02 -2.04 0.27 112.91 119.06 3df6 h THR 3 Ca 0.00 -1.13 0.12 0.00 0.77 0.00 0.00 66.41 66.17 3df6 h THR 3 Cb 0.00 1.68 -0.10 0.00 -1.74 0.00 0.00 68.15 67.99 3df6 h THR 3 CO 0.00 0.34 0.00 -0.74 0.37 0.00 0.00 175.52 175.49 3df6 h HIS 4 N 0.05 -0.03 -0.33 3.16 -0.00 -2.00 -0.31 115.15 115.69 3df6 h HIS 4 Ca 0.04 0.04 -0.08 0.00 -0.00 0.00 0.00 60.37 60.37 3df6 h HIS 4 Cb 0.56 0.10 -0.02 0.00 -0.00 0.00 0.00 27.41 28.06 3df6 h HIS 4 CO 0.06 -0.15 -0.13 0.93 -0.00 0.00 0.00 177.93 178.64 3df6 h GLU 5 N 0.12 0.58 -0.10 5.26 4.39 -1.96 -1.46 114.58 121.41 3df6 h GLU 5 Ca 0.30 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.82 3df6 h GLU 5 Cb 0.48 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.07 3df6 h GLU 5 CO -0.50 0.70 0.06 0.35 -1.16 0.00 0.00 179.01 178.46 3df6 h PHE 6 N 0.53 0.12 -0.24 4.33 3.57 -0.05 -1.47 116.94 123.73 3df6 h PHE 6 Ca 0.09 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.47 3df6 h PHE 6 Cb 0.54 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 3df6 h PHE 6 CO 0.02 0.10 -0.38 0.45 -2.23 0.00 0.00 178.31 176.27 3df6 h HIS 7 N 0.11 0.64 -0.72 0.41 3.86 -0.87 -1.33 115.15 117.25 3df6 h HIS 7 Ca 0.04 -0.18 0.07 0.00 -1.16 0.00 0.00 60.37 59.14 3df6 h HIS 7 Cb 0.01 -0.14 -0.06 0.00 1.06 0.00 0.00 27.41 28.28 3df6 h HIS 7 CO -0.07 0.84 0.40 0.87 0.86 0.00 0.00 177.93 180.84 3df6 h LYS 8 N 0.45 0.69 -0.71 2.45 1.57 -1.15 -0.63 116.57 119.24 3df6 h LYS 8 Ca 0.04 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 3df6 h LYS 8 Cb 0.86 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.98 3df6 h LYS 8 CO 0.07 0.46 0.28 1.25 -0.57 0.00 0.00 179.45 180.94 3df6 h LEU 9 N 0.72 0.99 -0.83 2.94 6.46 -0.66 -0.89 115.31 124.04 3df6 h LEU 9 Ca 0.33 -0.18 -0.00 0.00 -0.12 0.00 0.00 57.88 57.91 3df6 h LEU 9 Cb 0.25 -0.26 -0.04 0.00 -0.73 0.00 0.00 40.66 39.89 3df6 h LEU 9 CO -0.21 0.90 0.50 -0.07 -0.62 0.00 0.00 178.44 178.94 3df6 h LEU 10 N 1.02 0.99 -0.66 2.25 3.38 -0.65 0.14 115.31 121.79 3df6 h LEU 10 Ca 0.24 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 3df6 h LEU 10 Cb 0.22 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3df6 h LEU 10 CO -0.02 0.77 0.25 0.40 0.09 0.00 0.00 178.44 179.92 3df6 h ILE 11 N 1.13 1.24 -0.45 1.22 2.04 -0.86 -2.60 117.51 119.23 3df6 h ILE 11 Ca 0.30 -0.78 -0.12 0.00 1.00 0.00 0.00 64.86 65.26 3df6 h ILE 11 Cb -0.04 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 3df6 h ILE 11 CO -0.06 0.31 -0.19 0.50 0.00 0.00 0.00 178.15 178.71 3df6 h LYS 12 N 0.94 0.88 -0.36 2.37 1.63 -0.47 -1.88 116.57 119.68 3df6 h LYS 12 Ca 0.22 -0.35 0.07 0.00 -0.85 0.00 0.00 60.65 59.74 3df6 h LYS 12 Cb 0.23 -0.04 -0.07 0.00 -0.60 0.00 0.00 32.23 31.75 3df6 h LYS 12 CO -0.01 0.99 -0.10 0.28 -3.45 0.00 0.00 179.45 177.16 3df6 h VAL 13 N 0.77 0.63 -0.65 2.00 2.07 -0.56 -0.09 116.25 120.41 3df6 h VAL 13 Ca 0.11 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.63 3df6 h VAL 13 Cb 0.73 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 3df6 h VAL 13 CO 0.06 0.00 0.40 0.58 0.02 0.00 0.00 177.57 178.63 3df6 h VAL 14 N -0.01 1.18 -0.44 2.57 2.07 -1.31 -1.18 116.25 119.13 3df6 h VAL 14 Ca 0.17 -0.40 0.08 0.00 0.82 0.00 0.00 66.70 67.38 3df6 h VAL 14 Cb 0.27 0.28 -0.07 0.00 -1.52 0.00 0.00 31.29 30.25 3df6 h VAL 14 CO -0.37 0.19 -0.02 0.44 0.02 0.00 0.00 177.57 177.82 3df6 h ASP 15 N 0.88 -0.23 -0.06 0.57 5.19 -0.74 -0.31 116.42 121.72 3df6 h ASP 15 Ca 0.23 0.11 -0.09 0.00 -0.62 0.00 0.00 57.03 56.67 3df6 h ASP 15 Cb -0.04 0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.65 3df6 h ASP 15 CO -0.05 -0.07 -0.22 -0.07 -3.12 0.00 0.00 179.24 175.71 3df6 h LEU 16 N 0.09 0.46 -0.10 1.55 3.38 -0.73 -1.27 115.31 118.68 3df6 h LEU 16 Ca 0.22 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3df6 h LEU 16 Cb 0.32 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 3df6 h LEU 16 CO -0.38 0.68 0.01 0.15 0.09 0.00 0.00 178.44 179.00 3df6 h PHE 17 N 0.42 0.18 -0.10 1.13 3.57 -0.67 0.31 116.94 121.78 3df6 h PHE 17 Ca 0.07 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 3df6 h PHE 17 Cb 0.61 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 3df6 h PHE 17 CO 0.02 0.39 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.38 3df6 h LEU 18 N -0.08 0.12 -0.02 0.59 3.38 -0.88 0.30 115.31 118.73 3df6 h LEU 18 Ca 0.03 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3df6 h LEU 18 Cb 0.31 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3df6 h LEU 18 CO 0.00 0.18 0.00 -0.62 0.09 0.00 0.00 178.44 178.10 3df6 n GLU 19 N -4.42 0.02 -1.35 1.13 1.02 -0.50 -4.92 120.64 111.62 3df6 n GLU 19 Ca -0.01 0.12 -0.12 0.00 -0.02 0.00 0.00 57.16 57.13 3df6 n GLU 19 Cb 0.16 -1.52 -0.05 0.00 -0.02 0.00 0.00 31.44 30.01 3df6 n GLU 19 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3df6 n ASP 20 N -1.55 -4.53 -0.01 1.62 2.03 0.09 -4.89 116.55 109.30 3df6 n ASP 20 Ca 0.05 0.30 -0.17 0.00 0.52 0.00 0.00 54.79 55.49 3df6 n ASP 20 Cb 0.27 -3.10 -0.08 0.00 -0.72 0.00 0.00 41.12 37.48 3df6 n ASP 20 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 3df6 h ARG 21 N 0.01 0.66 -5.10 -0.67 3.08 -1.19 -3.38 114.38 107.80 3df6 h ARG 21 Ca -0.25 -0.57 -0.66 0.00 0.07 0.00 0.00 59.98 58.58 3df6 h ARG 21 Cb 0.82 0.13 -0.16 0.00 0.08 0.00 0.00 29.97 30.83 3df6 h ARG 21 CO 0.36 1.18 -0.15 0.42 -1.07 0.00 0.00 179.97 180.72 3df6 s ILE 22 N -3.63 5.08 0.09 2.04 1.01 -0.75 -4.97 121.20 120.07 3df6 s ILE 22 Ca -0.11 0.15 -0.16 0.00 0.00 0.00 0.00 60.65 60.53 3df6 s ILE 22 Cb 0.07 -3.92 -0.09 0.00 0.01 0.00 0.00 42.46 38.53 3df6 s ILE 22 CO 0.87 -0.20 1.44 0.11 0.00 0.00 0.00 174.94 177.16 3df6 h LYS 23 N 8.50 0.61 -2.66 2.79 1.79 -1.87 -3.36 116.57 122.37 3df6 h LYS 23 Ca -0.28 -0.29 -0.03 0.00 -2.18 0.00 0.00 60.65 57.87 3df6 h LYS 23 Cb 1.13 -0.01 -0.14 0.00 -1.58 0.00 0.00 32.23 31.63 3df6 h LYS 23 CO 0.75 0.87 0.22 -1.83 -1.08 0.00 0.00 179.45 178.38 3df6 s GLU 24 N -4.50 1.19 0.16 3.15 -1.05 -1.26 -4.63 118.70 111.76 3df6 s GLU 24 Ca -0.13 -0.24 -0.23 0.00 -0.15 0.00 0.00 54.97 54.22 3df6 s GLU 24 Cb 0.08 0.55 0.06 0.00 -0.44 0.00 0.00 34.13 34.38 3df6 s GLU 24 CO 0.80 -0.48 0.69 -0.59 0.95 0.00 0.00 175.26 176.63 3df6 s PHE 25 N -2.92 -0.41 0.05 4.83 -0.12 -0.39 -4.98 117.98 114.04 3df6 s PHE 25 Ca -0.03 0.15 0.01 0.00 -0.05 0.00 0.00 56.93 57.01 3df6 s PHE 25 Cb -0.01 0.60 -0.00 0.00 -0.63 0.00 0.00 43.02 42.98 3df6 s PHE 25 CO -0.06 -0.90 0.05 0.39 -0.05 0.00 0.00 175.22 174.66 3df6 n GLU 26 N -0.39 0.07 -3.76 1.99 1.02 -1.26 -0.88 120.64 117.44 3df6 n GLU 26 Ca -0.12 -0.47 -0.13 0.00 -0.02 0.00 0.00 57.16 56.43 3df6 n GLU 26 Cb 0.63 0.40 -0.12 0.00 -0.02 0.00 0.00 31.44 32.33 3df6 n GLU 26 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3df6 s LYS 28 N -2.18 0.31 0.09 3.49 2.20 -1.26 -5.00 119.74 117.39 3df6 s LYS 28 Ca 0.05 0.45 -0.14 0.00 -0.36 0.00 0.00 55.97 55.97 3df6 s LYS 28 Cb 0.00 0.08 0.03 0.00 -1.51 0.00 0.00 37.83 36.43 3df6 s LYS 28 CO 0.04 -0.08 0.34 -0.51 -0.36 0.00 0.00 175.35 174.78 3df6 s LEU 29 N 0.50 0.69 -0.36 5.43 1.43 -0.30 -4.97 118.68 121.10 3df6 s LEU 29 Ca -0.03 -0.32 0.02 0.00 -1.03 0.00 0.00 54.13 52.77 3df6 s LEU 29 Cb -0.04 1.58 0.15 0.00 0.03 0.00 0.00 46.19 47.90 3df6 s LEU 29 CO -0.03 -0.76 0.32 0.21 0.23 0.00 0.00 176.35 176.32 3df6 s ASN 30 N -2.58 1.75 -0.03 2.29 3.84 -1.22 -3.84 114.94 115.15 3df6 s ASN 30 Ca 0.01 -1.71 -0.13 0.00 0.21 0.00 0.00 52.86 51.24 3df6 s ASN 30 Cb 0.02 0.27 0.02 0.00 -0.55 0.00 0.00 41.25 41.01 3df6 s ASN 30 CO -0.09 -0.28 0.29 0.28 -2.79 0.00 0.00 177.10 174.50 3df6 s THR 31 N 1.38 0.05 -0.31 -5.21 -1.32 -1.11 -4.97 115.64 104.15 3df6 s THR 31 Ca 0.17 -0.41 -0.08 0.00 -1.21 0.00 0.00 61.69 60.15 3df6 s THR 31 Cb -0.17 -0.55 0.00 0.00 -1.51 0.00 0.00 72.50 70.27 3df6 s THR 31 CO -0.04 -0.23 0.12 -0.89 -2.21 0.00 0.00 174.62 171.37 3df6 s THR 32 N -1.04 4.29 0.05 5.08 2.01 -1.26 0.18 115.64 124.95 3df6 s THR 32 Ca -0.11 -0.59 -0.15 0.00 0.31 0.00 0.00 61.69 61.15 3df6 s THR 32 Cb -0.05 -3.22 -0.06 0.00 0.01 0.00 0.00 72.50 69.18 3df6 s THR 32 CO 0.03 0.05 0.47 -0.76 -0.69 0.00 0.00 174.62 173.72 3df6 s LEU 33 N 1.55 4.46 0.97 4.42 1.02 -0.14 -4.88 118.68 126.08 3df6 s LEU 33 Ca 0.03 1.04 -0.16 0.00 0.02 0.00 0.00 54.13 55.06 3df6 s LEU 33 Cb -0.17 -2.81 0.21 0.00 0.02 0.00 0.00 46.19 43.43 3df6 s LEU 33 CO 0.04 0.26 1.33 1.51 0.02 0.00 0.00 176.35 179.52 3df6 s ASP 34 N -1.25 3.04 0.13 2.29 1.47 -1.26 -1.31 116.67 119.77 3df6 s ASP 34 Ca 0.28 0.24 -0.19 0.00 1.18 0.00 0.00 52.55 54.07 3df6 s ASP 34 Cb -0.17 -0.26 -0.05 0.00 -0.34 0.00 0.00 42.92 42.10 3df6 s ASP 34 CO 0.16 -2.78 1.76 -0.08 0.68 0.00 0.00 175.17 174.91 3df6 h GLU 35 N -1.68 0.36 -0.68 2.11 4.81 -1.88 -1.44 114.58 116.17 3df6 h GLU 35 Ca -0.44 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 58.73 3df6 h GLU 35 Cb 1.23 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.50 3df6 h GLU 35 CO 0.37 0.27 0.31 -0.07 -0.73 0.00 0.00 179.01 179.16 3df6 h LEU 36 N 0.34 0.91 -0.51 1.64 3.38 -1.94 -1.21 115.31 117.92 3df6 h LEU 36 Ca 0.10 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3df6 h LEU 36 Cb -0.00 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3df6 h LEU 36 CO -0.02 0.80 0.28 -0.33 0.09 0.00 0.00 178.44 179.25 3df6 h GLU 37 N 0.95 0.72 -0.47 1.13 5.08 -1.88 -0.78 114.58 119.32 3df6 h GLU 37 Ca 0.23 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.45 3df6 h GLU 37 Cb 0.14 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3df6 h GLU 37 CO -0.03 0.56 0.07 0.35 -1.00 0.00 0.00 179.01 178.97 3df6 h PHE 38 N 0.68 0.84 -0.58 4.33 3.57 -1.08 0.21 116.94 124.91 3df6 h PHE 38 Ca 0.18 -0.12 -0.05 0.00 3.53 0.00 0.00 57.97 61.52 3df6 h PHE 38 Cb 0.06 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.54 3df6 h PHE 38 CO -0.02 0.78 0.19 0.93 -2.23 0.00 0.00 178.31 177.96 3df6 h GLU 39 N 0.66 0.90 -0.54 1.11 5.08 -1.12 -2.70 114.58 117.98 3df6 h GLU 39 Ca 0.14 -0.19 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 3df6 h GLU 39 Cb 0.39 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 3df6 h GLU 39 CO 0.01 0.81 0.02 1.49 -1.00 0.00 0.00 179.01 180.34 3df6 h GLU 40 N 0.82 0.90 -0.57 2.33 4.81 -1.01 -2.37 114.58 119.49 3df6 h GLU 40 Ca 0.19 -0.25 0.05 0.00 -0.13 0.00 0.00 59.36 59.22 3df6 h GLU 40 Cb 0.28 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.51 3df6 h GLU 40 CO -0.01 0.88 0.30 1.25 -0.73 0.00 0.00 179.01 180.70 3df6 h LEU 41 N 0.83 0.44 0.00 1.64 5.85 -0.68 -3.03 115.31 120.36 3df6 h LEU 41 Ca 0.16 0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.81 3df6 h LEU 41 Cb 0.46 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 3df6 h LEU 41 CO 0.02 0.29 -0.88 0.16 -0.34 0.00 0.00 178.44 177.69 3df6 h ILE 42 N 0.57 0.48 0.00 4.05 3.07 -1.44 -3.45 117.51 120.78 3df6 h ILE 42 Ca 0.25 -1.78 0.00 0.00 1.55 0.00 0.00 64.86 64.88 3df6 h ILE 42 Cb 0.15 2.06 0.00 0.00 -0.27 0.00 0.00 36.82 38.76 3df6 h ILE 42 CO -0.17 0.27 0.00 0.61 -1.05 0.00 0.00 178.15 177.82 3df6 n GLY 43 N 1.27 2.78 2.21 0.16 0.00 -0.90 -4.27 105.19 106.45 3df6 n GLY 43 Ca -0.02 0.31 -0.22 0.00 0.00 0.00 0.00 46.02 46.09 3df6 n GLY 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3df6 n LYS 44 N 7.42 0.79 -1.28 1.61 5.02 -1.26 -4.93 118.16 125.53 3df6 n LYS 44 Ca 0.00 -3.20 -0.32 0.00 -2.02 0.00 0.00 58.31 52.77 3df6 n LYS 44 Cb 0.00 -1.35 0.10 0.00 -0.02 0.00 0.00 35.03 33.75 3df6 n LYS 44 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3df6 s PRO 45 N -1.45 2.12 0.21 1.97 0.04 -1.26 -4.94 135.00 131.69 3df6 s PRO 45 Ca 0.36 1.35 0.12 0.00 0.04 0.00 0.00 61.00 62.88 3df6 s PRO 45 Cb 0.22 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.85 3df6 s PRO 45 CO -0.11 -1.77 1.36 -0.44 0.04 0.00 0.00 177.00 176.08 3df6 h ASP 46 N -0.93 0.00 -5.09 6.66 3.32 -0.61 -3.47 116.42 116.30 3df6 h ASP 46 Ca -0.45 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.55 3df6 h ASP 46 Cb 1.25 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.67 3df6 h ASP 46 CO 0.50 0.69 -0.07 -0.94 -1.72 0.00 0.00 179.24 177.70 3df6 s SER 47 N -6.53 -0.22 0.16 6.45 1.04 -1.08 -5.01 113.70 108.52 3df6 s SER 47 Ca 0.03 -0.37 -0.03 0.00 0.48 0.00 0.00 55.95 56.05 3df6 s SER 47 Cb 0.08 0.49 -0.03 0.00 0.10 0.00 0.00 66.02 66.66 3df6 s SER 47 CO 0.78 -0.88 0.15 -0.94 0.98 0.00 0.00 173.24 173.32 3df6 s SER 48 N -2.82 0.18 -0.13 7.02 1.04 -1.26 -0.55 113.70 117.18 3df6 s SER 48 Ca 0.04 -1.17 -0.20 0.00 0.48 0.00 0.00 55.95 55.11 3df6 s SER 48 Cb 0.02 0.37 0.05 0.00 0.10 0.00 0.00 66.02 66.55 3df6 s SER 48 CO -0.10 -0.82 0.51 0.21 0.98 0.00 0.00 173.24 174.02 3df6 s ASN 49 N -3.06 -0.50 -0.06 7.02 3.84 -0.24 -4.99 114.94 116.96 3df6 s ASN 49 Ca 0.27 0.80 -0.03 0.00 0.21 0.00 0.00 52.86 54.10 3df6 s ASN 49 Cb 0.06 0.82 0.03 0.00 -0.55 0.00 0.00 41.25 41.60 3df6 s ASN 49 CO 0.05 -0.32 0.13 -0.55 -2.79 0.00 0.00 177.10 173.62 3df6 s SER 50 N -0.33 -0.11 0.06 -4.21 0.15 -1.26 -0.39 113.70 107.61 3df6 s SER 50 Ca -0.05 0.26 0.04 0.00 0.70 0.00 0.00 55.95 56.90 3df6 s SER 50 Cb -0.03 0.19 -0.03 0.00 -1.71 0.00 0.00 66.02 64.44 3df6 s SER 50 CO 0.03 -0.11 -0.11 0.00 1.20 0.00 0.00 173.24 174.25 3df6 s ALA 51 N 0.78 0.91 -0.03 5.45 0.00 -0.57 -5.01 121.76 123.29 3df6 s ALA 51 Ca -0.06 -0.92 0.06 0.00 0.00 0.00 0.00 51.96 51.04 3df6 s ALA 51 Cb -0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.00 3df6 s ALA 51 CO -0.04 0.07 -0.19 -2.00 0.00 0.00 0.00 175.76 173.60 3df6 s GLU 52 N -1.76 1.74 -0.07 0.00 2.12 -1.26 -1.00 118.70 118.47 3df6 s GLU 52 Ca -0.05 -0.69 -0.03 0.00 0.36 0.00 0.00 54.97 54.56 3df6 s GLU 52 Cb -0.09 -1.60 0.04 0.00 0.26 0.00 0.00 34.13 32.73 3df6 s GLU 52 CO 0.01 0.37 0.13 1.21 -0.54 0.00 0.00 175.26 176.44 3df6 s ASN 53 N -0.29 0.83 -1.39 -1.70 2.47 0.06 -4.88 114.94 110.04 3df6 s ASN 53 Ca 0.03 0.25 -0.11 0.00 0.42 0.00 0.00 52.86 53.46 3df6 s ASN 53 Cb -0.09 0.15 0.08 0.00 -1.45 0.00 0.00 41.25 39.93 3df6 s ASN 53 CO 0.00 -0.24 0.61 0.59 -3.72 0.00 0.00 177.10 174.34 3df6 n ASN 54 N 5.26 -4.07 0.00 -4.21 3.02 -1.26 -0.62 115.26 113.38 3df6 n ASN 54 Ca -0.05 -0.50 0.00 0.00 -0.03 0.00 0.00 54.58 54.00 3df6 n ASN 54 Cb 0.50 -3.33 0.00 0.00 -0.61 0.00 0.00 39.78 36.34 3df6 n ASN 54 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3df6 n GLY 55 N -1.30 1.05 3.60 7.41 0.00 -1.26 -5.04 105.19 109.65 3df6 n GLY 55 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 3df6 n GLY 55 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3df6 s ILE 56 N -3.24 4.76 -0.09 -0.61 -1.09 0.21 -4.65 121.20 116.49 3df6 s ILE 56 Ca 0.00 -0.04 -0.12 0.00 -2.23 0.00 0.00 60.65 58.26 3df6 s ILE 56 Cb 0.00 -3.17 -0.05 0.00 -1.58 0.00 0.00 42.46 37.66 3df6 s ILE 56 CO 0.00 0.43 0.28 -0.36 -1.23 0.00 0.00 174.94 174.06 3df6 s PHE 57 N 0.65 3.59 -0.18 3.97 0.08 0.76 -0.76 117.98 126.09 3df6 s PHE 57 Ca 0.04 0.70 0.01 0.00 0.12 0.00 0.00 56.93 57.80 3df6 s PHE 57 Cb -0.13 -2.19 0.04 0.00 -0.57 0.00 0.00 43.02 40.16 3df6 s PHE 57 CO 0.01 0.54 -0.12 0.42 -0.10 0.00 0.00 175.22 175.97 3df6 s ILE 58 N -0.53 1.64 -0.11 0.64 1.01 -0.17 -0.43 121.20 123.24 3df6 s ILE 58 Ca 0.18 -0.89 -0.06 0.00 0.00 0.00 0.00 60.65 59.88 3df6 s ILE 58 Cb -0.14 -1.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.64 3df6 s ILE 58 CO 0.07 0.27 0.14 -1.81 0.00 0.00 0.00 174.94 173.62 3df6 s ASP 59 N 1.42 6.37 -0.15 3.58 1.11 0.06 -1.51 116.67 127.55 3df6 s ASP 59 Ca 0.01 0.45 0.01 0.00 0.18 0.00 0.00 52.55 53.20 3df6 s ASP 59 Cb -0.15 -2.05 0.00 0.00 1.07 0.00 0.00 42.92 41.79 3df6 s ASP 59 CO -0.09 0.39 -0.18 -0.70 1.18 0.00 0.00 175.17 175.77 3df6 s GLU 60 N -1.12 3.13 -0.06 8.23 2.12 0.47 -0.94 118.70 130.53 3df6 s GLU 60 Ca 0.16 -0.79 0.03 0.00 0.36 0.00 0.00 54.97 54.73 3df6 s GLU 60 Cb -0.12 -2.55 -0.02 0.00 0.26 0.00 0.00 34.13 31.70 3df6 s GLU 60 CO 0.05 -0.00 -0.15 0.71 -0.54 0.00 0.00 175.26 175.33 3df6 s TYR 61 N 0.83 2.70 -0.07 5.30 2.02 0.12 -1.07 117.35 127.17 3df6 s TYR 61 Ca -0.06 -0.28 0.02 0.00 -0.37 0.00 0.00 57.07 56.38 3df6 s TYR 61 Cb -0.15 -1.66 -0.03 0.00 -0.40 0.00 0.00 41.96 39.72 3df6 s TYR 61 CO -0.01 0.09 -0.11 -1.12 -1.57 0.00 0.00 175.55 172.82 3df6 s SER 62 N -0.50 4.24 -0.22 2.29 0.01 0.29 -0.76 113.70 119.04 3df6 s SER 62 Ca 0.07 -0.16 -0.01 0.00 1.31 0.00 0.00 55.95 57.16 3df6 s SER 62 Cb -0.12 -1.10 0.06 0.00 0.21 0.00 0.00 66.02 65.07 3df6 s SER 62 CO 0.02 0.31 -0.02 -0.31 0.41 0.00 0.00 173.24 173.65 3df6 s TYR 63 N -0.53 1.84 0.07 2.43 2.02 0.32 0.22 117.35 123.73 3df6 s TYR 63 Ca 0.07 -1.39 -0.31 0.00 -0.37 0.00 0.00 57.07 55.08 3df6 s TYR 63 Cb -0.12 -1.36 -0.06 0.00 -0.40 0.00 0.00 41.96 40.02 3df6 s TYR 63 CO 0.02 -0.71 1.30 -0.51 -1.57 0.00 0.00 175.55 174.08 3df6 s ASP 64 N 1.58 6.95 -0.27 2.29 1.01 -1.26 -0.90 116.67 126.07 3df6 s ASP 64 Ca -0.04 2.15 -0.13 0.00 0.71 0.00 0.00 52.55 55.24 3df6 s ASP 64 Cb -0.18 -2.58 -0.12 0.00 1.01 0.00 0.00 42.92 41.05 3df6 s ASP 64 CO -0.07 -0.57 -0.35 0.00 0.21 0.00 0.00 175.17 174.39 3df6 n ALA 65 N 4.11 1.25 -4.04 5.23 0.00 -0.28 -4.93 120.51 121.86 3df6 n ALA 65 Ca 0.10 -1.08 -0.17 0.00 0.00 0.00 0.00 53.44 52.29 3df6 n ALA 65 Cb 0.44 0.14 -0.05 0.00 0.00 0.00 0.00 19.45 19.98 3df6 n ALA 65 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3df6 n SER 66 N -4.18 -0.84 -0.32 0.00 3.41 -0.49 -4.95 113.62 106.25 3df6 n SER 66 Ca -0.53 -2.84 0.23 0.00 -0.26 0.00 0.00 58.87 55.48 3df6 n SER 66 Cb 0.88 1.76 0.52 0.00 -0.26 0.00 0.00 64.21 67.11 3df6 n SER 66 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3df6 h GLU 67 N 0.00 0.36 0.00 4.33 4.22 -2.04 -3.09 114.58 118.36 3df6 h GLU 67 Ca -0.22 -0.02 -0.23 0.00 0.08 0.00 0.00 59.36 58.97 3df6 h GLU 67 Cb 1.05 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.18 3df6 h GLU 67 CO 0.31 0.24 -1.88 -1.71 -2.18 0.00 0.00 179.01 173.79 3df6 n ASN 68 N -4.61 2.17 -5.01 1.04 5.15 -1.26 -4.83 115.26 107.90 3df6 n ASN 68 Ca 0.25 -0.03 -0.18 0.00 -0.60 0.00 0.00 54.58 54.03 3df6 n ASN 68 Cb 0.90 0.49 0.03 0.00 -0.53 0.00 0.00 39.78 40.66 3df6 n ASN 68 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3df6 s ALA 69 N -2.31 4.59 0.02 5.20 0.00 -1.17 -0.28 121.76 127.81 3df6 s ALA 69 Ca -0.11 -1.86 0.05 0.00 0.00 0.00 0.00 51.96 50.05 3df6 s ALA 69 Cb 0.04 -1.53 -0.02 0.00 0.00 0.00 0.00 23.12 21.61 3df6 s ALA 69 CO 0.47 -0.51 -0.16 0.15 0.00 0.00 0.00 175.76 175.71 3df6 s LYS 71 N -4.47 1.15 -0.02 0.00 1.02 -0.07 -1.12 119.74 116.22 3df6 s LYS 71 Ca 0.57 -0.72 0.07 0.00 0.02 0.00 0.00 55.97 55.91 3df6 s LYS 71 Cb -0.08 -1.16 -0.02 0.00 -0.52 0.00 0.00 37.83 36.05 3df6 s LYS 71 CO 0.35 0.30 -0.23 0.15 -0.92 0.00 0.00 175.35 175.00 3df6 s LYS 72 N -0.87 1.94 -0.17 1.68 1.02 -0.07 -0.52 119.74 122.76 3df6 s LYS 72 Ca 0.04 -0.83 0.01 0.00 0.02 0.00 0.00 55.97 55.21 3df6 s LYS 72 Cb -0.07 -1.85 0.01 0.00 -0.52 0.00 0.00 37.83 35.40 3df6 s LYS 72 CO 0.01 0.48 -0.19 -1.17 -0.92 0.00 0.00 175.35 173.57 3df6 s LEU 73 N -0.50 2.24 -0.19 3.17 2.96 0.06 -0.99 118.68 125.42 3df6 s LEU 73 Ca 0.08 -0.59 -0.08 0.00 -0.22 0.00 0.00 54.13 53.31 3df6 s LEU 73 Cb -0.09 -1.50 -0.04 0.00 0.50 0.00 0.00 46.19 45.05 3df6 s LEU 73 CO -0.00 0.03 0.08 -0.36 -1.32 0.00 0.00 176.35 174.78 3df6 s PHE 74 N 1.12 3.27 -0.14 5.38 0.08 0.52 0.11 117.98 128.32 3df6 s PHE 74 Ca 0.01 0.10 0.01 0.00 0.12 0.00 0.00 56.93 57.17 3df6 s PHE 74 Cb -0.14 -2.12 0.02 0.00 -0.57 0.00 0.00 43.02 40.21 3df6 s PHE 74 CO -0.08 0.14 -0.16 0.08 -0.10 0.00 0.00 175.22 175.11 3df6 s VAL 75 N 0.51 1.62 -0.15 -0.44 1.01 -0.11 -0.61 120.40 122.22 3df6 s VAL 75 Ca 0.04 -0.68 -0.05 0.00 0.00 0.00 0.00 61.98 61.29 3df6 s VAL 75 Cb -0.12 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 3df6 s VAL 75 CO 0.00 0.47 0.02 -0.70 0.00 0.00 0.00 175.10 174.90 3df6 s GLU 76 N 1.27 3.68 0.20 2.72 2.12 -0.33 -0.76 118.70 127.61 3df6 s GLU 76 Ca 0.01 -0.40 -0.21 0.00 0.36 0.00 0.00 54.97 54.73 3df6 s GLU 76 Cb -0.14 -3.04 0.04 0.00 0.26 0.00 0.00 34.13 31.25 3df6 s GLU 76 CO -0.08 0.37 0.60 1.52 -0.54 0.00 0.00 175.26 177.13 3df6 s TYR 77 N 0.07 -0.32 -0.14 5.30 -0.85 0.43 -0.39 117.35 121.45 3df6 s TYR 77 Ca 0.03 0.01 0.01 0.00 -0.52 0.00 0.00 57.07 56.60 3df6 s TYR 77 Cb -0.13 0.53 0.02 0.00 0.38 0.00 0.00 41.96 42.76 3df6 s TYR 77 CO 0.01 -0.95 -0.16 0.08 -1.52 0.00 0.00 175.55 173.01 3df6 s VAL 78 N -3.83 1.69 0.24 -3.49 1.01 -0.31 -0.17 120.40 115.54 3df6 s VAL 78 Ca 0.06 -0.73 -0.30 0.00 0.00 0.00 0.00 61.98 61.01 3df6 s VAL 78 Cb -0.02 -1.55 -0.10 0.00 0.00 0.00 0.00 36.38 34.71 3df6 s VAL 78 CO -0.05 0.48 1.37 -0.13 0.00 0.00 0.00 175.10 176.77 3df6 s ARG 79 N 1.24 4.33 0.30 2.72 0.52 -1.26 -1.37 118.95 125.42 3df6 s ARG 79 Ca 0.00 2.19 0.10 0.00 -0.52 0.00 0.00 55.73 57.50 3df6 s ARG 79 Cb -0.14 -3.14 -0.05 0.00 0.52 0.00 0.00 34.95 32.14 3df6 s ARG 79 CO -0.08 -0.32 -0.07 -0.65 0.02 0.00 0.00 175.30 174.21 3df6 s GLN 80 N -0.42 1.99 0.87 3.54 -1.52 0.17 -4.91 119.66 119.38 3df6 s GLN 80 Ca 0.57 -1.68 -0.14 0.00 -1.95 0.00 0.00 55.36 52.16 3df6 s GLN 80 Cb -0.39 -1.92 0.03 0.00 -0.22 0.00 0.00 33.01 30.50 3df6 s GLN 80 CO 0.42 0.26 0.61 -2.30 -0.25 0.00 0.00 175.29 174.02 3df6 n PRO 81 N -0.82 -0.07 -2.95 2.91 -0.02 -1.26 -3.16 135.00 129.63 3df6 n PRO 81 Ca -0.05 0.03 -0.19 0.00 -2.02 0.00 0.00 63.50 61.27 3df6 n PRO 81 Cb 0.61 -1.97 0.03 0.00 -0.02 0.00 0.00 33.50 32.15 3df6 n PRO 81 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3df6 n GLU 82 N -1.83 -4.38 -3.74 -0.52 1.02 -1.26 -3.18 120.64 106.75 3df6 n GLU 82 Ca 0.09 0.75 -0.26 0.00 -0.02 0.00 0.00 57.16 57.72 3df6 n GLU 82 Cb 0.52 -5.30 0.05 0.00 -0.02 0.00 0.00 31.44 26.69 3df6 n GLU 82 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3df6 n PHE 83 N -4.34 -2.53 -4.21 -0.32 3.01 -1.23 -4.89 117.46 102.94 3df6 n PHE 83 Ca -0.08 0.95 -0.26 0.00 1.01 0.00 0.00 57.45 59.07 3df6 n PHE 83 Cb 0.60 -4.54 -0.08 0.00 -0.01 0.00 0.00 39.48 35.45 3df6 n PHE 83 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3df6 s LYS 84 N -6.37 2.39 -0.18 -1.08 1.02 -1.19 -3.08 119.74 111.25 3df6 s LYS 84 Ca 0.55 -1.13 -0.04 0.00 0.02 0.00 0.00 55.97 55.37 3df6 s LYS 84 Cb -0.26 -2.34 0.06 0.00 -0.52 0.00 0.00 37.83 34.77 3df6 s LYS 84 CO 0.78 0.45 0.07 0.71 -0.92 0.00 0.00 175.35 176.44 3df6 s TYR 85 N -1.77 0.51 -0.42 3.18 2.02 -0.42 0.41 117.35 120.86 3df6 s TYR 85 Ca 0.28 -0.52 -0.29 0.00 -0.37 0.00 0.00 57.07 56.17 3df6 s TYR 85 Cb -0.09 -0.82 0.01 0.00 -0.40 0.00 0.00 41.96 40.66 3df6 s TYR 85 CO 0.19 -0.55 1.40 0.99 -1.57 0.00 0.00 175.55 176.01 3df6 s THR 86 N 2.03 3.91 -0.16 -0.71 2.01 -0.47 -0.97 115.64 121.28 3df6 s THR 86 Ca 0.01 0.93 -0.21 0.00 0.31 0.00 0.00 61.69 62.73 3df6 s THR 86 Cb -0.16 -4.22 -0.03 0.00 0.01 0.00 0.00 72.50 68.10 3df6 s THR 86 CO -0.09 -0.77 0.62 -0.69 -0.69 0.00 0.00 174.62 173.01 3df6 s VAL 87 N 5.40 5.05 -0.18 3.82 1.01 0.13 -1.16 120.40 134.46 3df6 s VAL 87 Ca 0.61 1.20 0.18 0.00 0.00 0.00 0.00 61.98 63.97 3df6 s VAL 87 Cb -0.13 -3.95 -0.25 0.00 0.00 0.00 0.00 36.38 32.05 3df6 s VAL 87 CO 0.33 0.16 0.10 0.18 0.00 0.00 0.00 175.10 175.87 3df6 n LEU 88 N 4.65 0.00 -3.54 3.92 4.77 0.47 -2.76 117.00 124.52 3df6 n LEU 88 Ca -0.02 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.78 3df6 n LEU 88 Cb 0.50 0.45 -0.06 0.00 -2.33 0.00 0.00 43.42 41.98 3df6 n LEU 88 CO 0.44 0.45 0.40 -0.94 -1.33 0.00 0.00 177.39 176.42 3df6 s SER 89 N -5.36 -0.62 -0.05 -1.43 1.04 -1.16 -1.15 113.70 104.97 3df6 s SER 89 Ca -0.10 0.66 0.02 0.00 0.48 0.00 0.00 55.95 57.01 3df6 s SER 89 Cb 0.07 0.52 0.01 0.00 0.10 0.00 0.00 66.02 66.72 3df6 s SER 89 CO 0.82 -0.60 -0.10 -0.63 0.98 0.00 0.00 173.24 173.71 3df6 s ILE 90 N -1.24 0.97 -0.03 -1.02 1.01 -1.26 -1.18 121.20 118.45 3df6 s ILE 90 Ca -0.11 -0.39 0.02 0.00 0.00 0.00 0.00 60.65 60.16 3df6 s ILE 90 Cb -0.00 -0.90 0.01 0.00 0.01 0.00 0.00 42.46 41.58 3df6 s ILE 90 CO 0.09 0.31 -0.06 -0.54 0.00 0.00 0.00 174.94 174.75 3df6 s LYS 91 N 0.63 0.80 -0.18 2.79 1.02 0.22 -4.32 119.74 120.71 3df6 s LYS 91 Ca -0.12 -0.17 -0.01 0.00 0.02 0.00 0.00 55.97 55.69 3df6 s LYS 91 Cb -0.14 -0.79 -0.00 0.00 -0.52 0.00 0.00 37.83 36.38 3df6 s LYS 91 CO 0.03 -0.00 -0.13 0.20 -0.92 0.00 0.00 175.35 174.53 3df6 s GLY 92 N 0.56 1.51 0.22 -3.33 0.00 -0.06 -0.35 107.32 105.87 3df6 s GLY 92 Ca -0.08 -1.10 0.06 0.00 0.00 0.00 0.00 44.72 43.60 3df6 s GLY 92 CO 0.00 0.18 -0.09 -1.34 0.00 0.00 0.00 173.10 171.86 3df6 s VAL 93 N 1.07 1.46 -0.11 1.40 -7.23 -0.16 -1.26 120.40 115.57 3df6 s VAL 93 Ca -0.00 -2.12 -0.05 0.00 -1.81 0.00 0.00 61.98 57.99 3df6 s VAL 93 Cb -0.15 -2.17 -0.04 0.00 0.56 0.00 0.00 36.38 34.59 3df6 s VAL 93 CO -0.03 -0.49 0.08 0.20 -0.31 0.00 0.00 175.10 174.54 3df6 s ASN 94 N -3.32 5.86 0.05 4.85 -0.87 -1.26 -0.89 114.94 119.36 3df6 s ASN 94 Ca 0.24 0.31 0.01 0.00 -1.57 0.00 0.00 52.86 51.85 3df6 s ASN 94 Cb 0.02 -1.81 -0.03 0.00 -0.02 0.00 0.00 41.25 39.41 3df6 s ASN 94 CO 0.07 0.38 -0.06 -0.62 -2.57 0.00 0.00 177.10 174.30 3df6 s ASP 95 N -0.86 0.70 0.06 -1.22 -1.08 -1.26 -4.95 116.67 108.06 3df6 s ASP 95 Ca 0.13 -0.68 0.04 0.00 -0.52 0.00 0.00 52.55 51.53 3df6 s ASP 95 Cb -0.12 0.08 -0.03 0.00 -1.46 0.00 0.00 42.92 41.40 3df6 s ASP 95 CO 0.03 -0.33 -0.13 0.26 0.52 0.00 0.00 175.17 175.53 3df6 s TRP 96 N -2.13 1.08 0.03 -5.34 0.51 -1.26 -4.53 118.94 107.29 3df6 s TRP 96 Ca -0.05 -0.45 -0.26 0.00 -2.12 0.00 0.00 56.10 53.21 3df6 s TRP 96 Cb -0.05 -0.62 -0.17 0.00 -0.81 0.00 0.00 33.47 31.83 3df6 s TRP 96 CO -0.02 0.02 1.36 0.28 -0.51 0.00 0.00 176.95 178.08 3df6 h VAL 97 N 4.38 0.65 -3.84 4.03 2.07 -0.96 -3.45 116.25 119.12 3df6 h VAL 97 Ca -0.39 -0.42 -0.47 0.00 0.82 0.00 0.00 66.70 66.23 3df6 h VAL 97 Cb 1.19 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 3df6 h VAL 97 CO 0.41 0.08 0.19 -0.13 0.02 0.00 0.00 177.57 178.14 3df6 s ARG 98 N -5.08 4.12 0.00 1.57 0.52 -1.26 -5.16 118.95 113.66 3df6 s ARG 98 Ca -0.15 0.87 0.16 0.00 -0.52 0.00 0.00 55.73 56.09 3df6 s ARG 98 Cb 0.03 -2.38 0.94 0.00 0.52 0.00 0.00 34.95 34.05 3df6 s ARG 98 CO 0.57 0.11 1.35 0.39 0.02 0.00 0.00 175.30 177.74