#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df6 s ASP 2 N 0.00 6.14 0.13 1.61 2.15 -1.26 -5.02 116.67 120.42 3df6 s ASP 2 Ca 0.00 0.30 -0.13 0.00 0.43 0.00 0.00 52.55 53.14 3df6 s ASP 2 Cb 0.00 -2.03 -0.02 0.00 -0.30 0.00 0.00 42.92 40.57 3df6 s ASP 2 CO 0.00 0.28 1.54 0.74 -0.17 0.00 0.00 175.17 177.56 3df6 h THR 3 N 4.40 1.27 -0.48 1.71 2.02 -2.04 -0.97 112.91 118.83 3df6 h THR 3 Ca -0.46 -1.21 0.03 0.00 0.77 0.00 0.00 66.41 65.54 3df6 h THR 3 Cb 1.19 1.19 -0.04 0.00 -1.74 0.00 0.00 68.15 68.74 3df6 h THR 3 CO 0.67 0.41 0.27 -0.74 0.37 0.00 0.00 175.52 176.49 3df6 h HIS 4 N 0.64 0.49 -0.46 3.16 -0.00 -1.99 -0.70 115.15 116.28 3df6 h HIS 4 Ca 0.11 0.02 -0.07 0.00 -0.00 0.00 0.00 60.37 60.43 3df6 h HIS 4 Cb 0.64 -0.15 -0.02 0.00 -0.00 0.00 0.00 27.41 27.87 3df6 h HIS 4 CO 0.05 0.27 0.02 0.93 -0.00 0.00 0.00 177.93 179.19 3df6 h GLU 5 N 0.53 0.75 -0.31 5.26 4.39 -1.96 -0.81 114.58 122.43 3df6 h GLU 5 Ca 0.20 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.71 3df6 h GLU 5 Cb 0.06 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 3df6 h GLU 5 CO -0.12 0.75 0.20 0.35 -1.16 0.00 0.00 179.01 179.03 3df6 h PHE 6 N 0.71 0.40 -0.35 4.33 3.57 -0.81 -0.58 116.94 124.20 3df6 h PHE 6 Ca 0.14 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.51 3df6 h PHE 6 Cb 0.41 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 3df6 h PHE 6 CO 0.02 0.28 -0.33 0.45 -2.23 0.00 0.00 178.31 176.50 3df6 h HIS 7 N 0.41 0.92 -0.72 0.41 3.86 -0.72 -1.33 115.15 117.98 3df6 h HIS 7 Ca 0.11 -0.25 0.07 0.00 -1.16 0.00 0.00 60.37 59.14 3df6 h HIS 7 Cb -0.01 -0.20 -0.06 0.00 1.06 0.00 0.00 27.41 28.19 3df6 h HIS 7 CO -0.05 1.00 0.41 0.87 0.86 0.00 0.00 177.93 181.03 3df6 h LYS 8 N 0.66 0.72 -0.58 2.45 1.57 -1.03 -1.62 116.57 118.74 3df6 h LYS 8 Ca 0.07 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3df6 h LYS 8 Cb 0.87 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.99 3df6 h LYS 8 CO 0.08 0.48 0.26 1.25 -0.57 0.00 0.00 179.45 180.94 3df6 h LEU 9 N 0.74 0.77 -0.96 2.94 6.46 -0.63 -1.73 115.31 122.90 3df6 h LEU 9 Ca 0.33 -0.14 0.03 0.00 -0.12 0.00 0.00 57.88 57.97 3df6 h LEU 9 Cb 0.22 -0.20 -0.05 0.00 -0.73 0.00 0.00 40.66 39.90 3df6 h LEU 9 CO -0.19 0.70 0.63 -0.07 -0.62 0.00 0.00 178.44 178.88 3df6 h LEU 10 N 0.78 1.05 -0.42 2.25 3.38 -0.86 0.13 115.31 121.63 3df6 h LEU 10 Ca 0.20 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 3df6 h LEU 10 Cb 0.14 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3df6 h LEU 10 CO -0.02 0.73 0.17 0.40 0.09 0.00 0.00 178.44 179.81 3df6 h ILE 11 N 1.23 1.20 -0.85 1.22 2.04 -1.15 -2.32 117.51 118.87 3df6 h ILE 11 Ca 0.37 -0.61 0.01 0.00 1.00 0.00 0.00 64.86 65.63 3df6 h ILE 11 Cb -0.04 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 36.83 3df6 h ILE 11 CO -0.11 0.22 0.55 0.50 0.00 0.00 0.00 178.15 179.31 3df6 h LYS 12 N 0.53 1.12 -0.42 2.37 1.63 -0.72 -0.36 116.57 120.73 3df6 h LYS 12 Ca 0.14 -0.08 0.07 0.00 -0.85 0.00 0.00 60.65 59.94 3df6 h LYS 12 Cb 0.19 -0.25 -0.06 0.00 -0.60 0.00 0.00 32.23 31.51 3df6 h LYS 12 CO -0.01 0.75 0.03 0.28 -3.45 0.00 0.00 179.45 177.06 3df6 h VAL 13 N 1.15 0.72 -0.37 2.00 2.07 -0.52 0.13 116.25 121.44 3df6 h VAL 13 Ca 0.31 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.75 3df6 h VAL 13 Cb -0.11 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 3df6 h VAL 13 CO -0.06 0.03 0.11 0.58 0.02 0.00 0.00 177.57 178.24 3df6 h VAL 14 N 0.15 1.22 -0.60 2.57 2.07 -1.02 -0.25 116.25 120.39 3df6 h VAL 14 Ca 0.20 -0.72 0.09 0.00 0.82 0.00 0.00 66.70 67.10 3df6 h VAL 14 Cb 0.28 0.98 -0.07 0.00 -1.52 0.00 0.00 31.29 30.96 3df6 h VAL 14 CO -0.31 0.25 0.23 0.44 0.02 0.00 0.00 177.57 178.20 3df6 h ASP 15 N 0.45 0.24 0.03 0.57 3.32 -0.66 0.60 116.42 120.97 3df6 h ASP 15 Ca 0.12 0.07 -0.11 0.00 0.02 0.00 0.00 57.03 57.13 3df6 h ASP 15 Cb 0.27 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 3df6 h ASP 15 CO -0.00 0.14 -0.35 -0.07 -1.72 0.00 0.00 179.24 177.24 3df6 h LEU 16 N 0.42 0.45 -0.09 1.55 3.38 -0.34 -0.82 115.31 119.86 3df6 h LEU 16 Ca 0.30 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3df6 h LEU 16 Cb 0.36 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3df6 h LEU 16 CO -0.29 0.77 0.04 0.15 0.09 0.00 0.00 178.44 179.19 3df6 h PHE 17 N 0.37 0.14 -0.48 1.13 3.57 -0.56 -0.91 116.94 120.21 3df6 h PHE 17 Ca 0.04 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 3df6 h PHE 17 Cb 0.79 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.47 3df6 h PHE 17 CO 0.02 0.26 0.27 -0.07 -2.23 0.00 0.00 178.31 176.56 3df6 h LEU 18 N -0.02 0.58 -0.76 0.59 3.38 -0.52 -0.85 115.31 117.71 3df6 h LEU 18 Ca 0.03 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3df6 h LEU 18 Cb 0.18 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3df6 h LEU 18 CO -0.00 0.47 0.00 -0.62 0.09 0.00 0.00 178.44 178.38 3df6 n GLU 19 N -4.42 0.16 -1.61 1.13 1.02 -0.35 -4.91 120.64 111.67 3df6 n GLU 19 Ca 0.04 0.45 -0.13 0.00 -0.02 0.00 0.00 57.16 57.51 3df6 n GLU 19 Cb 0.09 -1.85 -0.04 0.00 -0.02 0.00 0.00 31.44 29.62 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 -2.16 -4.39 -0.01 1.62 2.03 -0.32 -4.91 116.55 108.41 3df6 n ASP 20 Ca 0.01 0.23 -0.17 0.00 0.52 0.00 0.00 54.79 55.38 3df6 n ASP 20 Cb 0.18 -3.17 -0.12 0.00 -0.72 0.00 0.00 41.12 37.29 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 0.00 0.26 -5.64 -0.67 3.08 -1.42 -3.38 114.38 106.61 3df6 h ARG 21 Ca -0.27 -0.31 -0.62 0.00 0.07 0.00 0.00 59.98 58.85 3df6 h ARG 21 Cb 0.94 0.10 -0.12 0.00 0.08 0.00 0.00 29.97 30.96 3df6 h ARG 21 CO 0.38 1.04 0.26 0.42 -1.07 0.00 0.00 179.97 181.00 3df6 s ILE 22 N -2.95 4.81 -0.02 2.04 1.01 -0.79 -4.96 121.20 120.33 3df6 s ILE 22 Ca -0.15 0.74 -0.25 0.00 0.00 0.00 0.00 60.65 60.99 3df6 s ILE 22 Cb 0.01 -4.15 -0.20 0.00 0.01 0.00 0.00 42.46 38.14 3df6 s ILE 22 CO 0.78 -0.38 1.23 0.11 0.00 0.00 0.00 174.94 176.68 3df6 h LYS 23 N 8.47 -0.05 -3.64 2.79 1.79 -1.87 -3.35 116.57 120.70 3df6 h LYS 23 Ca -0.25 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.15 3df6 h LYS 23 Cb 1.10 0.01 -0.13 0.00 -1.58 0.00 0.00 32.23 31.63 3df6 h LYS 23 CO 0.88 0.41 -0.24 -1.21 -1.08 0.00 0.00 179.45 178.21 3df6 s GLU 24 N -4.23 0.98 0.11 3.15 2.02 -1.26 -4.52 118.70 114.95 3df6 s GLU 24 Ca -0.15 -0.89 -0.26 0.00 0.02 0.00 0.00 54.97 53.69 3df6 s GLU 24 Cb 0.02 0.40 0.07 0.00 0.10 0.00 0.00 34.13 34.72 3df6 s GLU 24 CO 0.65 -0.35 0.86 -0.59 0.02 0.00 0.00 175.26 175.84 3df6 s PHE 25 N -3.85 -0.27 0.19 1.61 -0.12 -0.62 -4.96 117.98 109.95 3df6 s PHE 25 Ca 0.06 0.03 -0.01 0.00 -0.05 0.00 0.00 56.93 56.95 3df6 s PHE 25 Cb 0.03 0.60 0.01 0.00 -0.63 0.00 0.00 43.02 43.03 3df6 s PHE 25 CO -0.10 -0.77 0.27 -0.85 -0.05 0.00 0.00 175.22 173.72 3df6 n GLU 26 N -0.37 0.38 -3.79 1.99 0.28 -1.26 -0.07 120.64 117.80 3df6 n GLU 26 Ca -0.08 -1.50 -0.13 0.00 -0.16 0.00 0.00 57.16 55.29 3df6 n GLU 26 Cb 0.61 1.45 -0.13 0.00 1.43 0.00 0.00 31.44 34.80 3df6 n GLU 26 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 3df6 s LYS 28 N -2.42 0.14 0.15 3.44 2.20 -1.26 -4.99 119.74 117.00 3df6 s LYS 28 Ca 0.15 0.28 -0.21 0.00 -0.36 0.00 0.00 55.97 55.83 3df6 s LYS 28 Cb -0.01 -0.02 0.06 0.00 -1.51 0.00 0.00 37.83 36.36 3df6 s LYS 28 CO 0.11 -0.08 0.53 -0.51 -0.36 0.00 0.00 175.35 175.05 3df6 s LEU 29 N 0.51 -0.25 -0.45 5.43 1.43 0.16 -4.97 118.68 120.55 3df6 s LEU 29 Ca -0.04 -0.10 0.06 0.00 -1.03 0.00 0.00 54.13 53.02 3df6 s LEU 29 Cb -0.05 2.35 0.20 0.00 0.03 0.00 0.00 46.19 48.71 3df6 s LEU 29 CO -0.02 -0.93 0.54 -3.20 0.23 0.00 0.00 176.35 172.97 3df6 n ASN 30 N -0.32 -1.52 -3.98 2.29 5.15 -1.17 -3.22 115.26 112.49 3df6 n ASN 30 Ca -0.17 -2.68 -0.10 0.00 -0.60 0.00 0.00 54.58 51.03 3df6 n ASN 30 Cb 0.65 0.37 -0.11 0.00 -0.53 0.00 0.00 39.78 40.15 3df6 n ASN 30 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 3df6 s THR 31 N 0.17 0.16 -0.26 -0.44 -1.32 -1.03 -4.98 115.64 107.93 3df6 s THR 31 Ca 0.32 -0.81 -0.06 0.00 -1.21 0.00 0.00 61.69 59.93 3df6 s THR 31 Cb 0.07 -0.28 -0.01 0.00 -1.51 0.00 0.00 72.50 70.78 3df6 s THR 31 CO -0.15 -0.41 0.04 -0.89 -2.21 0.00 0.00 174.62 171.00 3df6 s THR 32 N -1.25 3.86 -0.13 5.08 2.01 -1.26 -0.31 115.64 123.65 3df6 s THR 32 Ca -0.13 -0.50 -0.11 0.00 0.31 0.00 0.00 61.69 61.26 3df6 s THR 32 Cb -0.09 -2.88 -0.05 0.00 0.01 0.00 0.00 72.50 69.50 3df6 s THR 32 CO -0.01 0.25 0.22 -0.76 -0.69 0.00 0.00 174.62 173.63 3df6 s LEU 33 N 1.52 4.33 0.74 4.42 1.02 0.99 -4.89 118.68 126.82 3df6 s LEU 33 Ca 0.04 0.52 -0.15 0.00 0.02 0.00 0.00 54.13 54.56 3df6 s LEU 33 Cb -0.16 -2.24 0.05 0.00 0.02 0.00 0.00 46.19 43.86 3df6 s LEU 33 CO 0.01 0.27 1.24 -0.62 0.02 0.00 0.00 176.35 177.28 3df6 s ASP 34 N -0.39 3.99 0.25 2.29 2.15 -1.26 -0.70 116.67 122.99 3df6 s ASP 34 Ca 0.15 2.48 -0.04 0.00 0.43 0.00 0.00 52.55 55.57 3df6 s ASP 34 Cb -0.13 -2.60 0.45 0.00 -0.30 0.00 0.00 42.92 40.34 3df6 s ASP 34 CO 0.04 -2.41 1.76 -0.08 -0.17 0.00 0.00 175.17 174.31 3df6 h GLU 35 N -0.32 0.55 -0.75 4.34 4.81 -1.86 -0.06 114.58 121.29 3df6 h GLU 35 Ca -0.48 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 58.77 3df6 h GLU 35 Cb 1.31 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 30.51 3df6 h GLU 35 CO 0.49 0.37 0.46 -0.07 -0.73 0.00 0.00 179.01 179.52 3df6 h LEU 36 N 0.57 0.71 0.10 1.64 3.38 -1.92 0.45 115.31 120.24 3df6 h LEU 36 Ca 0.41 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.39 3df6 h LEU 36 Cb 0.55 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3df6 h LEU 36 CO -0.34 0.47 -0.05 -0.33 0.09 0.00 0.00 178.44 178.28 3df6 h GLU 37 N 0.85 -0.12 -0.72 1.13 4.39 -1.61 -1.74 114.58 116.75 3df6 h GLU 37 Ca 0.32 0.01 0.02 0.00 0.34 0.00 0.00 59.36 60.06 3df6 h GLU 37 Cb 0.13 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.77 3df6 h GLU 37 CO -0.16 -0.07 0.46 0.35 -1.16 0.00 0.00 179.01 178.44 3df6 h PHE 38 N -0.15 0.87 -0.62 4.33 3.57 -0.56 0.43 116.94 124.81 3df6 h PHE 38 Ca -0.01 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.43 3df6 h PHE 38 Cb 0.11 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.54 3df6 h PHE 38 CO -0.07 0.52 0.09 0.93 -2.23 0.00 0.00 178.31 177.55 3df6 h GLU 39 N 0.92 1.03 -0.95 1.11 5.08 -0.91 -2.55 114.58 118.30 3df6 h GLU 39 Ca 0.28 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3df6 h GLU 39 Cb -0.03 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.06 3df6 h GLU 39 CO -0.09 0.97 0.60 1.49 -1.00 0.00 0.00 179.01 180.98 3df6 h GLU 40 N 0.94 1.28 -0.48 2.33 4.57 -0.93 -0.80 114.58 121.48 3df6 h GLU 40 Ca 0.19 -0.10 0.01 0.00 -1.18 0.00 0.00 59.36 58.28 3df6 h GLU 40 Cb 0.45 -0.28 -0.03 0.00 -0.16 0.00 0.00 28.75 28.73 3df6 h GLU 40 CO 0.01 0.87 0.31 1.25 -1.18 0.00 0.00 179.01 180.27 3df6 h LEU 41 N 1.31 0.52 0.00 1.64 5.85 -0.53 -3.29 115.31 120.80 3df6 h LEU 41 Ca 0.35 -0.01 -0.22 0.00 0.84 0.00 0.00 57.88 58.84 3df6 h LEU 41 Cb -0.10 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 3df6 h LEU 41 CO -0.07 0.37 -1.60 -0.38 -0.34 0.00 0.00 178.44 176.43 3df6 n ILE 42 N -4.78 1.32 -4.59 4.05 5.41 -1.02 -4.87 119.36 114.88 3df6 n ILE 42 Ca 0.02 -0.73 0.00 0.00 1.00 0.00 0.00 62.75 63.04 3df6 n ILE 42 Cb 0.04 -0.81 0.00 0.00 -0.71 0.00 0.00 39.64 38.16 3df6 n ILE 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3df6 n GLY 43 N 1.47 2.15 2.95 7.39 0.00 -0.32 -4.17 105.19 114.66 3df6 n GLY 43 Ca -0.14 -0.54 -0.30 0.00 0.00 0.00 0.00 46.02 45.04 3df6 n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3df6 s LYS 44 N 0.00 2.52 0.67 1.61 -0.14 -1.26 -4.97 119.74 118.17 3df6 s LYS 44 Ca 0.00 -3.19 -0.15 0.00 -1.36 0.00 0.00 55.97 51.27 3df6 s LYS 44 Cb 0.00 -3.50 0.01 0.00 -1.68 0.00 0.00 37.83 32.65 3df6 s LYS 44 CO 0.00 -1.25 1.13 -2.14 -0.76 0.00 0.00 175.35 172.33 3df6 s PRO 45 N -1.20 2.66 0.46 -1.68 0.02 -1.26 -4.92 135.00 129.08 3df6 s PRO 45 Ca 0.24 1.47 0.25 0.00 0.02 0.00 0.00 61.00 62.98 3df6 s PRO 45 Cb -0.09 -1.93 0.58 0.00 0.02 0.00 0.00 34.50 33.08 3df6 s PRO 45 CO -0.13 -1.37 1.69 -0.44 -0.33 0.00 0.00 177.00 176.42 3df6 h ASP 46 N -0.02 0.00 -5.04 2.53 3.32 -0.94 -3.47 116.42 112.80 3df6 h ASP 46 Ca -0.47 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.57 3df6 h ASP 46 Cb 1.26 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.70 3df6 h ASP 46 CO 0.53 0.04 0.11 -0.94 -1.72 0.00 0.00 179.24 177.26 3df6 s SER 47 N -6.11 -0.37 0.04 6.45 1.04 -1.09 -5.00 113.70 108.67 3df6 s SER 47 Ca 0.05 -0.29 -0.15 0.00 0.48 0.00 0.00 55.95 56.04 3df6 s SER 47 Cb 0.06 0.59 0.03 0.00 0.10 0.00 0.00 66.02 66.80 3df6 s SER 47 CO 0.64 -1.03 0.35 -0.94 0.98 0.00 0.00 173.24 173.24 3df6 s SER 48 N -2.82 -0.19 0.00 7.02 1.04 -1.26 -1.08 113.70 116.42 3df6 s SER 48 Ca 0.05 -0.12 0.01 0.00 0.48 0.00 0.00 55.95 56.38 3df6 s SER 48 Cb -0.01 0.39 -0.01 0.00 0.10 0.00 0.00 66.02 66.49 3df6 s SER 48 CO -0.07 -0.64 -0.04 0.20 0.98 0.00 0.00 173.24 173.68 3df6 s ASN 49 N -2.05 0.40 -0.07 7.02 0.01 -0.30 -4.99 114.94 114.97 3df6 s ASN 49 Ca -0.05 -0.12 0.00 0.00 -0.71 0.00 0.00 52.86 51.98 3df6 s ASN 49 Cb -0.01 -0.03 0.02 0.00 0.41 0.00 0.00 41.25 41.65 3df6 s ASN 49 CO -0.03 -0.00 -0.05 -0.55 -1.51 0.00 0.00 177.10 174.96 3df6 s SER 50 N -0.28 1.47 -0.06 -1.22 0.15 -1.26 -0.71 113.70 111.79 3df6 s SER 50 Ca -0.01 -0.17 0.04 0.00 0.70 0.00 0.00 55.95 56.51 3df6 s SER 50 Cb -0.02 -0.57 0.00 0.00 -1.71 0.00 0.00 66.02 63.72 3df6 s SER 50 CO -0.00 -0.10 -0.19 0.00 1.20 0.00 0.00 173.24 174.15 3df6 s ALA 51 N 1.36 1.72 -0.17 5.45 0.00 -0.59 -5.00 121.76 124.52 3df6 s ALA 51 Ca -0.04 -0.75 -0.06 0.00 0.00 0.00 0.00 51.96 51.11 3df6 s ALA 51 Cb -0.14 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.33 3df6 s ALA 51 CO -0.03 0.27 0.05 -2.00 0.00 0.00 0.00 175.76 174.05 3df6 s GLU 52 N 0.22 3.82 -0.09 0.00 2.12 -1.26 -0.73 118.70 122.77 3df6 s GLU 52 Ca -0.10 -0.35 -0.04 0.00 0.36 0.00 0.00 54.97 54.84 3df6 s GLU 52 Cb -0.14 -3.14 0.05 0.00 0.26 0.00 0.00 34.13 31.16 3df6 s GLU 52 CO 0.04 0.35 0.18 1.21 -0.54 0.00 0.00 175.26 176.50 3df6 s ASN 53 N 0.15 0.61 -1.47 -1.70 2.47 0.37 -4.93 114.94 110.44 3df6 s ASN 53 Ca 0.04 0.37 -0.08 0.00 0.42 0.00 0.00 52.86 53.62 3df6 s ASN 53 Cb -0.12 0.34 0.05 0.00 -1.45 0.00 0.00 41.25 40.07 3df6 s ASN 53 CO 0.01 -0.24 0.75 0.59 -3.72 0.00 0.00 177.10 174.49 3df6 n ASN 54 N 5.23 -2.58 0.00 -4.21 4.13 -1.26 -1.37 115.26 115.19 3df6 n ASN 54 Ca -0.07 -0.87 0.00 0.00 1.68 0.00 0.00 54.58 55.32 3df6 n ASN 54 Cb 0.50 -3.59 0.00 0.00 -1.54 0.00 0.00 39.78 35.15 3df6 n ASN 54 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3df6 n GLY 55 N -1.68 0.70 3.27 7.41 0.00 -1.26 -5.01 105.19 108.62 3df6 n GLY 55 Ca -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.92 2.26 -0.12 -0.61 1.01 -0.47 -4.64 121.20 115.71 3df6 s ILE 56 Ca 0.00 -0.97 -0.14 0.00 0.00 0.00 0.00 60.65 59.54 3df6 s ILE 56 Cb 0.00 -1.86 -0.05 0.00 0.01 0.00 0.00 42.46 40.56 3df6 s ILE 56 CO 0.00 0.56 0.33 -0.36 0.00 0.00 0.00 174.94 175.47 3df6 s PHE 57 N 0.10 3.52 -0.25 3.97 0.08 0.46 -0.48 117.98 125.38 3df6 s PHE 57 Ca -0.10 0.70 -0.02 0.00 0.12 0.00 0.00 56.93 57.63 3df6 s PHE 57 Cb -0.16 -2.34 0.02 0.00 -0.57 0.00 0.00 43.02 39.98 3df6 s PHE 57 CO 0.06 0.33 -0.05 0.42 -0.10 0.00 0.00 175.22 175.89 3df6 s ILE 58 N 0.12 3.02 -0.05 0.64 1.01 0.09 -0.17 121.20 125.87 3df6 s ILE 58 Ca 0.19 -0.96 -0.03 0.00 0.00 0.00 0.00 60.65 59.85 3df6 s ILE 58 Cb -0.14 -2.52 -0.04 0.00 0.01 0.00 0.00 42.46 39.77 3df6 s ILE 58 CO 0.06 0.20 0.13 -1.81 0.00 0.00 0.00 174.94 173.53 3df6 s ASP 59 N 1.35 6.14 -0.21 3.58 1.11 -0.44 -1.55 116.67 126.65 3df6 s ASP 59 Ca 0.01 0.32 -0.00 0.00 0.18 0.00 0.00 52.55 53.06 3df6 s ASP 59 Cb -0.17 -1.90 0.02 0.00 1.07 0.00 0.00 42.92 41.95 3df6 s ASP 59 CO -0.04 0.32 -0.14 -0.70 1.18 0.00 0.00 175.17 175.79 3df6 s GLU 60 N -1.54 2.93 -0.14 8.23 2.12 0.11 -1.15 118.70 129.27 3df6 s GLU 60 Ca 0.22 -0.89 -0.01 0.00 0.36 0.00 0.00 54.97 54.65 3df6 s GLU 60 Cb -0.12 -2.75 -0.02 0.00 0.26 0.00 0.00 34.13 31.50 3df6 s GLU 60 CO 0.12 -0.29 -0.11 0.71 -0.54 0.00 0.00 175.26 175.15 3df6 s TYR 61 N 1.30 2.86 -0.07 5.30 2.02 0.79 -1.15 117.35 128.41 3df6 s TYR 61 Ca 0.03 -0.57 0.01 0.00 -0.37 0.00 0.00 57.07 56.17 3df6 s TYR 61 Cb -0.15 -1.87 -0.03 0.00 -0.40 0.00 0.00 41.96 39.51 3df6 s TYR 61 CO -0.09 -0.17 -0.07 -1.12 -1.57 0.00 0.00 175.55 172.52 3df6 s SER 62 N 0.36 4.59 -0.08 2.29 0.01 -0.24 -0.18 113.70 120.44 3df6 s SER 62 Ca -0.09 -0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.13 3df6 s SER 62 Cb -0.16 -1.16 0.02 0.00 0.21 0.00 0.00 66.02 64.93 3df6 s SER 62 CO 0.05 0.35 -0.07 -0.31 0.41 0.00 0.00 173.24 173.67 3df6 s TYR 63 N -0.76 1.26 -0.05 2.43 2.02 0.57 -0.16 117.35 122.65 3df6 s TYR 63 Ca 0.12 -0.53 -0.30 0.00 -0.37 0.00 0.00 57.07 55.99 3df6 s TYR 63 Cb -0.11 -1.04 -0.06 0.00 -0.40 0.00 0.00 41.96 40.35 3df6 s TYR 63 CO 0.01 -0.38 1.69 -0.51 -1.57 0.00 0.00 175.55 174.79 3df6 s ASP 64 N 1.33 6.62 -0.25 2.29 1.01 -1.26 -0.87 116.67 125.54 3df6 s ASP 64 Ca -0.03 2.24 -0.13 0.00 0.71 0.00 0.00 52.55 55.34 3df6 s ASP 64 Cb -0.14 -2.53 -0.15 0.00 1.01 0.00 0.00 42.92 41.11 3df6 s ASP 64 CO -0.03 -0.96 -0.17 0.00 0.21 0.00 0.00 175.17 174.22 3df6 n ALA 65 N 7.27 1.12 -3.25 5.23 0.00 -0.49 -4.89 120.51 125.49 3df6 n ALA 65 Ca 0.18 -0.93 0.00 0.00 0.00 0.00 0.00 53.44 52.68 3df6 n ALA 65 Cb 0.43 -0.10 0.01 0.00 0.00 0.00 0.00 19.45 19.78 3df6 n ALA 65 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3df6 n SER 66 N -4.12 -0.69 0.05 0.00 7.64 -1.11 -4.99 113.62 110.39 3df6 n SER 66 Ca -0.47 -1.46 -0.13 0.00 1.01 0.00 0.00 58.87 57.82 3df6 n SER 66 Cb 0.86 1.15 -0.06 0.00 -1.01 0.00 0.00 64.21 65.15 3df6 n SER 66 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 3df6 h GLU 67 N 0.00 -0.50 -0.02 1.43 4.11 -1.99 -3.03 114.58 114.58 3df6 h GLU 67 Ca -0.10 0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.36 3df6 h GLU 67 Cb 0.39 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.75 3df6 h GLU 67 CO 0.13 -0.33 -0.02 0.09 0.07 0.00 0.00 179.01 178.94 3df6 n ASN 68 N -5.44 2.01 -4.33 3.06 4.13 -1.26 -4.51 115.26 108.93 3df6 n ASN 68 Ca -0.05 -1.51 -0.21 0.00 1.68 0.00 0.00 54.58 54.49 3df6 n ASN 68 Cb 0.35 0.04 0.11 0.00 -1.54 0.00 0.00 39.78 38.75 3df6 n ASN 68 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3df6 n ALA 69 N 0.64 0.18 -3.58 5.41 0.00 -1.15 0.42 120.51 122.44 3df6 n ALA 69 Ca 0.07 -1.79 -0.12 0.00 0.00 0.00 0.00 53.44 51.60 3df6 n ALA 69 Cb 0.32 0.30 -0.12 0.00 0.00 0.00 0.00 19.45 19.94 3df6 n ALA 69 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3df6 s LYS 71 N -4.87 0.25 -0.07 0.00 -0.14 -0.05 -1.40 119.74 113.46 3df6 s LYS 71 Ca 0.61 0.52 0.06 0.00 -1.36 0.00 0.00 55.97 55.79 3df6 s LYS 71 Cb -0.03 -0.04 -0.01 0.00 -1.68 0.00 0.00 37.83 36.06 3df6 s LYS 71 CO 0.40 -0.13 -0.25 0.15 -0.76 0.00 0.00 175.35 174.76 3df6 s LYS 72 N 1.01 2.65 -0.16 1.68 1.02 0.09 -0.32 119.74 125.70 3df6 s LYS 72 Ca -0.07 -0.89 0.01 0.00 0.02 0.00 0.00 55.97 55.04 3df6 s LYS 72 Cb -0.08 -2.17 0.01 0.00 -0.52 0.00 0.00 37.83 35.07 3df6 s LYS 72 CO -0.07 0.33 -0.19 -1.17 -0.92 0.00 0.00 175.35 173.32 3df6 s LEU 73 N -0.03 2.22 -0.19 3.17 2.96 0.74 -0.59 118.68 126.96 3df6 s LEU 73 Ca -0.07 -0.58 -0.05 0.00 -0.22 0.00 0.00 54.13 53.20 3df6 s LEU 73 Cb -0.15 -1.49 -0.03 0.00 0.50 0.00 0.00 46.19 45.03 3df6 s LEU 73 CO 0.05 0.05 -0.00 -0.36 -1.32 0.00 0.00 176.35 174.77 3df6 s PHE 74 N 0.99 3.05 -0.18 5.38 0.08 0.11 -0.15 117.98 127.27 3df6 s PHE 74 Ca -0.02 -0.38 0.01 0.00 0.12 0.00 0.00 56.93 56.65 3df6 s PHE 74 Cb -0.15 -2.06 0.03 0.00 -0.57 0.00 0.00 43.02 40.27 3df6 s PHE 74 CO -0.05 -0.17 -0.15 0.08 -0.10 0.00 0.00 175.22 174.82 3df6 s VAL 75 N 0.84 1.80 -0.23 -0.44 1.01 -0.30 -0.82 120.40 122.26 3df6 s VAL 75 Ca 0.01 -0.87 -0.11 0.00 0.00 0.00 0.00 61.98 61.00 3df6 s VAL 75 Cb -0.14 -1.71 -0.05 0.00 0.00 0.00 0.00 36.38 34.48 3df6 s VAL 75 CO 0.02 0.41 0.20 -0.70 0.00 0.00 0.00 175.10 175.02 3df6 s GLU 76 N 1.37 4.10 0.14 2.72 2.12 -0.07 -1.33 118.70 127.76 3df6 s GLU 76 Ca 0.03 -0.18 -0.13 0.00 0.36 0.00 0.00 54.97 55.04 3df6 s GLU 76 Cb -0.14 -3.52 0.02 0.00 0.26 0.00 0.00 34.13 30.74 3df6 s GLU 76 CO -0.11 0.07 0.36 1.52 -0.54 0.00 0.00 175.26 176.56 3df6 s TYR 77 N 1.01 0.03 -0.13 5.30 -0.85 0.76 -0.42 117.35 123.05 3df6 s TYR 77 Ca 0.10 -0.39 -0.00 0.00 -0.52 0.00 0.00 57.07 56.26 3df6 s TYR 77 Cb -0.13 0.15 -0.02 0.00 0.38 0.00 0.00 41.96 42.34 3df6 s TYR 77 CO 0.04 -0.72 -0.12 0.08 -1.52 0.00 0.00 175.55 173.31 3df6 s VAL 78 N -3.87 3.11 -0.19 -3.49 1.01 -0.21 -0.41 120.40 116.35 3df6 s VAL 78 Ca 0.08 -0.64 -0.29 0.00 0.00 0.00 0.00 61.98 61.13 3df6 s VAL 78 Cb 0.02 -2.31 0.00 0.00 0.00 0.00 0.00 36.38 34.10 3df6 s VAL 78 CO -0.07 0.52 1.08 -0.13 0.00 0.00 0.00 175.10 176.50 3df6 s ARG 79 N 0.32 4.29 0.40 2.72 0.52 -1.26 -0.94 118.95 124.99 3df6 s ARG 79 Ca -0.10 1.42 0.08 0.00 -0.52 0.00 0.00 55.73 56.61 3df6 s ARG 79 Cb -0.16 -3.64 -0.00 0.00 0.52 0.00 0.00 34.95 31.67 3df6 s ARG 79 CO 0.05 -0.58 0.48 -0.65 0.02 0.00 0.00 175.30 174.62 3df6 s GLN 80 N 3.01 2.79 0.82 3.54 -1.52 0.17 -4.98 119.66 123.48 3df6 s GLN 80 Ca 0.47 -1.28 -0.11 0.00 -1.95 0.00 0.00 55.36 52.48 3df6 s GLN 80 Cb -0.17 -2.65 0.08 0.00 -0.22 0.00 0.00 33.01 30.05 3df6 s GLN 80 CO 0.10 -0.17 1.09 -2.14 -0.25 0.00 0.00 175.29 173.92 3df6 s PRO 81 N -4.23 1.92 -1.45 2.91 0.02 -1.26 -3.31 135.00 129.60 3df6 s PRO 81 Ca 0.50 0.78 -0.05 0.00 0.02 0.00 0.00 61.00 62.25 3df6 s PRO 81 Cb -0.08 -1.89 0.03 0.00 0.02 0.00 0.00 34.50 32.58 3df6 s PRO 81 CO 0.31 -1.77 0.49 0.39 -0.33 0.00 0.00 177.00 176.08 3df6 n GLU 82 N -3.56 -4.03 -3.54 5.54 4.71 -1.26 -3.59 120.64 114.91 3df6 n GLU 82 Ca 0.07 0.76 -0.23 0.00 -0.01 0.00 0.00 57.16 57.75 3df6 n GLU 82 Cb 0.55 -5.54 0.05 0.00 -1.01 0.00 0.00 31.44 25.49 3df6 n GLU 82 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 3df6 n PHE 83 N -4.22 -2.10 -4.36 -0.32 3.72 -1.22 -4.87 117.46 104.09 3df6 n PHE 83 Ca -0.09 0.69 -0.27 0.00 -0.05 0.00 0.00 57.45 57.73 3df6 n PHE 83 Cb 0.60 -3.95 -0.11 0.00 -0.94 0.00 0.00 39.48 35.09 3df6 n PHE 83 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3df6 s LYS 84 N -5.44 1.77 -0.18 -1.08 -0.14 -1.21 -2.83 119.74 110.62 3df6 s LYS 84 Ca 0.34 -1.42 -0.02 0.00 -1.36 0.00 0.00 55.97 53.51 3df6 s LYS 84 Cb -0.09 -1.98 0.05 0.00 -1.68 0.00 0.00 37.83 34.13 3df6 s LYS 84 CO 0.81 0.41 0.00 0.71 -0.76 0.00 0.00 175.35 176.52 3df6 s TYR 85 N -1.71 1.29 -0.54 3.18 2.02 0.13 0.42 117.35 122.13 3df6 s TYR 85 Ca 0.23 -0.94 -0.26 0.00 -0.37 0.00 0.00 57.07 55.73 3df6 s TYR 85 Cb -0.08 -1.13 0.03 0.00 -0.40 0.00 0.00 41.96 40.39 3df6 s TYR 85 CO 0.12 -0.60 1.06 0.99 -1.57 0.00 0.00 175.55 175.55 3df6 s THR 86 N 1.77 4.23 -0.06 -0.71 2.01 -0.12 -0.00 115.64 122.76 3df6 s THR 86 Ca -0.01 0.70 -0.26 0.00 0.31 0.00 0.00 61.69 62.43 3df6 s THR 86 Cb -0.16 -4.61 -0.03 0.00 0.01 0.00 0.00 72.50 67.71 3df6 s THR 86 CO -0.07 -1.15 0.83 -0.69 -0.69 0.00 0.00 174.62 172.84 3df6 s VAL 87 N 4.38 4.95 -0.09 3.82 1.01 0.58 -1.05 120.40 134.00 3df6 s VAL 87 Ca 0.38 1.72 0.12 0.00 0.00 0.00 0.00 61.98 64.20 3df6 s VAL 87 Cb -0.09 -4.17 -0.18 0.00 0.00 0.00 0.00 36.38 31.94 3df6 s VAL 87 CO 0.24 0.18 0.12 0.18 0.00 0.00 0.00 175.10 175.82 3df6 n LEU 88 N 4.07 0.00 -3.50 3.92 4.77 0.44 -2.48 117.00 124.22 3df6 n LEU 88 Ca 0.03 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.87 3df6 n LEU 88 Cb 0.51 0.22 -0.04 0.00 -2.33 0.00 0.00 43.42 41.77 3df6 n LEU 88 CO 0.49 0.22 0.50 -0.94 -1.33 0.00 0.00 177.39 176.33 3df6 s SER 89 N -4.27 -0.56 -0.02 -1.43 1.04 -1.17 -0.66 113.70 106.63 3df6 s SER 89 Ca -0.06 0.38 0.01 0.00 0.48 0.00 0.00 55.95 56.76 3df6 s SER 89 Cb 0.05 0.51 0.01 0.00 0.10 0.00 0.00 66.02 66.69 3df6 s SER 89 CO 0.54 -0.68 -0.02 -0.63 0.98 0.00 0.00 173.24 173.43 3df6 s ILE 90 N -2.17 0.26 -0.01 -1.02 1.01 -1.26 -0.89 121.20 117.12 3df6 s ILE 90 Ca -0.04 -0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.57 3df6 s ILE 90 Cb -0.00 -0.29 0.02 0.00 0.01 0.00 0.00 42.46 42.19 3df6 s ILE 90 CO -0.00 0.12 0.01 -0.75 0.00 0.00 0.00 174.94 174.32 3df6 s LYS 91 N 0.53 0.09 -0.12 2.79 2.20 0.00 -4.25 119.74 120.98 3df6 s LYS 91 Ca -0.05 0.07 0.03 0.00 -0.36 0.00 0.00 55.97 55.66 3df6 s LYS 91 Cb -0.09 -0.24 0.00 0.00 -1.51 0.00 0.00 37.83 36.00 3df6 s LYS 91 CO -0.01 -0.08 -0.22 0.20 -0.36 0.00 0.00 175.35 174.88 3df6 s GLY 92 N 0.62 1.36 0.05 5.54 0.00 0.91 0.08 107.32 115.87 3df6 s GLY 92 Ca -0.05 -1.03 0.05 0.00 0.00 0.00 0.00 44.72 43.69 3df6 s GLY 92 CO -0.02 -0.16 -0.15 0.14 0.00 0.00 0.00 173.10 172.92 3df6 s VAL 93 N 0.59 1.16 0.14 1.40 1.01 0.25 -1.60 120.40 123.36 3df6 s VAL 93 Ca -0.12 -1.12 -0.03 0.00 0.00 0.00 0.00 61.98 60.71 3df6 s VAL 93 Cb -0.17 -1.07 -0.05 0.00 0.00 0.00 0.00 36.38 35.09 3df6 s VAL 93 CO 0.03 -0.05 0.35 0.20 0.00 0.00 0.00 175.10 175.62 3df6 s ASN 94 N -1.35 6.44 -0.08 3.32 0.01 -1.26 -0.74 114.94 121.28 3df6 s ASN 94 Ca 0.01 0.47 -0.09 0.00 -0.71 0.00 0.00 52.86 52.55 3df6 s ASN 94 Cb -0.09 -2.04 0.02 0.00 0.41 0.00 0.00 41.25 39.55 3df6 s ASN 94 CO 0.02 0.05 0.24 -0.62 -1.51 0.00 0.00 177.10 175.28 3df6 s ASP 95 N -2.64 -0.23 -0.06 -1.22 2.15 -1.26 -4.93 116.67 108.49 3df6 s ASP 95 Ca 0.39 0.41 -0.20 0.00 0.43 0.00 0.00 52.55 53.58 3df6 s ASP 95 Cb -0.12 0.46 -0.05 0.00 -0.30 0.00 0.00 42.92 42.92 3df6 s ASP 95 CO 0.26 -0.13 0.57 0.86 -0.17 0.00 0.00 175.17 176.57 3df6 s TRP 96 N -0.07 3.60 0.07 -5.34 -0.11 -1.26 -4.41 118.94 111.42 3df6 s TRP 96 Ca -0.02 1.09 0.03 0.00 1.22 0.00 0.00 56.10 58.42 3df6 s TRP 96 Cb -0.02 -2.62 -0.03 0.00 -1.50 0.00 0.00 33.47 29.30 3df6 s TRP 96 CO 0.01 0.24 -0.09 0.08 -4.62 0.00 0.00 176.95 172.56 3df6 s VAL 97 N 0.28 0.78 0.17 5.86 1.01 0.17 -5.01 120.40 123.66 3df6 s VAL 97 Ca 0.30 -1.43 -0.30 0.00 0.00 0.00 0.00 61.98 60.55 3df6 s VAL 97 Cb -0.17 -1.09 -0.08 0.00 0.00 0.00 0.00 36.38 35.04 3df6 s VAL 97 CO 0.15 -0.49 1.33 -0.60 0.00 0.00 0.00 175.10 175.48 3df6 s ARG 98 N -2.35 4.37 0.00 2.72 3.52 -1.26 -4.53 118.95 121.42 3df6 s ARG 98 Ca -0.00 2.05 0.17 0.00 -0.13 0.00 0.00 55.73 57.82 3df6 s ARG 98 Cb -0.05 -3.21 1.04 0.00 -1.56 0.00 0.00 34.95 31.17 3df6 s ARG 98 CO -0.00 -0.30 1.44 0.39 -0.81 0.00 0.00 175.30 176.02