#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m92 s GLU 4 N 0.00 3.66 0.39 -1.58 2.02 -1.26 -5.08 118.70 116.86 3m92 s GLU 4 Ca 0.00 1.22 0.08 0.00 0.02 0.00 0.00 54.97 56.28 3m92 s GLU 4 Cb 0.00 -2.08 -0.05 0.00 0.10 0.00 0.00 34.13 32.10 3m92 s GLU 4 CO 0.00 -0.53 0.19 0.95 0.02 0.00 0.00 175.26 175.89 3m92 s THR 5 N -2.29 2.52 -0.08 3.63 -4.23 -1.26 -5.13 115.64 108.81 3m92 s THR 5 Ca 0.64 -1.66 -0.08 0.00 -1.18 0.00 0.00 61.69 59.42 3m92 s THR 5 Cb -0.15 -2.98 -0.04 0.00 1.34 0.00 0.00 72.50 70.67 3m92 s THR 5 CO 0.28 -0.05 0.19 -1.10 -0.54 0.00 0.00 174.62 173.41 3m92 s GLN 6 N -3.91 3.52 0.60 3.99 -1.52 -1.26 -5.08 119.66 116.00 3m92 s GLN 6 Ca 0.41 -0.07 -0.18 0.00 -1.95 0.00 0.00 55.36 53.57 3m92 s GLN 6 Cb 0.01 -3.17 -0.03 0.00 -0.22 0.00 0.00 33.01 29.60 3m92 s GLN 6 CO 0.23 0.74 1.16 -1.25 -0.25 0.00 0.00 175.29 175.93 3m92 s PRO 7 N -1.21 2.97 -0.07 2.91 0.04 -1.26 -5.05 135.00 133.34 3m92 s PRO 7 Ca 0.19 1.67 -0.19 0.00 0.04 0.00 0.00 61.00 62.70 3m92 s PRO 7 Cb -0.13 -1.95 0.04 0.00 0.04 0.00 0.00 34.50 32.51 3m92 s PRO 7 CO 0.08 -1.17 0.45 -1.50 0.04 0.00 0.00 177.00 174.90 3m92 s ILE 8 N -1.84 0.03 0.47 0.56 2.07 -1.26 -5.15 121.20 116.08 3m92 s ILE 8 Ca 0.74 -0.23 -0.00 0.00 -1.41 0.00 0.00 60.65 59.74 3m92 s ILE 8 Cb -0.26 -0.72 -0.00 0.00 0.13 0.00 0.00 42.46 41.60 3m92 s ILE 8 CO 0.34 -0.13 0.70 1.51 -1.91 0.00 0.00 174.94 175.45 3m92 s ASP 9 N -0.87 5.80 0.19 4.50 1.47 -1.26 -4.94 116.67 121.57 3m92 s ASP 9 Ca -0.09 0.34 -0.12 0.00 1.18 0.00 0.00 52.55 53.85 3m92 s ASP 9 Cb -0.03 -1.55 0.19 0.00 -0.34 0.00 0.00 42.92 41.18 3m92 s ASP 9 CO 0.05 -0.75 1.77 -0.09 0.68 0.00 0.00 175.17 176.83 3m92 h ARG 10 N 0.33 0.45 -0.38 2.11 2.43 -2.02 -0.08 114.38 117.21 3m92 h ARG 10 Ca -0.46 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 58.67 3m92 h ARG 10 Cb 1.25 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.68 3m92 h ARG 10 CO 0.58 0.30 0.20 0.93 -1.51 0.00 0.00 179.97 180.46 3m92 h GLU 11 N 0.47 0.54 -0.25 0.20 5.08 -2.00 -1.28 114.58 117.35 3m92 h GLU 11 Ca 0.25 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.41 3m92 h GLU 11 Cb 0.22 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3m92 h GLU 11 CO -0.21 0.46 -0.40 1.15 -1.00 0.00 0.00 179.01 179.01 3m92 h THR 12 N 0.49 1.30 -0.22 1.13 2.02 -1.88 -2.26 112.91 113.49 3m92 h THR 12 Ca 0.13 -1.57 -0.05 0.00 0.77 0.00 0.00 66.41 65.70 3m92 h THR 12 Cb 0.09 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 3m92 h THR 12 CO -0.02 0.50 -0.04 0.25 0.37 0.00 0.00 175.52 176.57 3m92 h LEU 13 N 0.48 0.42 -0.74 2.58 5.85 -0.73 -2.17 115.31 121.00 3m92 h LEU 13 Ca 0.04 -0.36 0.02 0.00 0.84 0.00 0.00 57.88 58.43 3m92 h LEU 13 Cb 0.91 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.78 3m92 h LEU 13 CO 0.08 0.68 0.48 -0.07 -0.34 0.00 0.00 178.44 179.26 3m92 h LEU 14 N 0.15 0.80 -0.39 2.25 3.38 -1.24 0.14 115.31 120.41 3m92 h LEU 14 Ca 0.06 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.06 3m92 h LEU 14 Cb 0.49 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 3m92 h LEU 14 CO 0.02 0.56 0.15 0.11 0.09 0.00 0.00 178.44 179.37 3m92 h LYS 15 N 0.94 0.31 -0.20 1.13 1.57 -1.26 0.66 116.57 119.72 3m92 h LYS 15 Ca 0.29 -0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.93 3m92 h LYS 15 Cb -0.02 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 3m92 h LYS 15 CO -0.10 0.20 -0.41 1.49 -0.57 0.00 0.00 179.45 180.06 3m92 h GLU 16 N 0.32 0.46 -0.33 3.15 4.81 -0.85 -1.81 114.58 120.33 3m92 h GLU 16 Ca 0.18 -0.23 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 3m92 h GLU 16 Cb 0.14 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 3m92 h GLU 16 CO -0.17 0.80 0.17 0.00 -0.73 0.00 0.00 179.01 179.08 3m92 h ALA 17 N 1.18 0.42 -0.01 2.92 0.00 -0.17 -1.94 119.26 121.66 3m92 h ALA 17 Ca 0.03 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 3m92 h ALA 17 Cb 0.89 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3m92 h ALA 17 CO 0.07 -0.04 -0.38 -0.91 0.00 0.00 0.00 179.25 178.00 3m92 h ASN 18 N 0.41 0.02 -0.72 0.00 2.35 -0.73 -1.69 115.58 115.22 3m92 h ASN 18 Ca 0.12 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.82 3m92 h ASN 18 Cb 0.08 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 3m92 h ASN 18 CO -0.02 0.40 0.30 0.11 -1.65 0.00 0.00 177.43 176.57 3m92 h LYS 19 N 0.02 1.06 -0.73 0.81 6.56 -1.09 -1.60 116.57 121.61 3m92 h LYS 19 Ca -0.00 -0.18 -0.03 0.00 -1.06 0.00 0.00 60.65 59.37 3m92 h LYS 19 Cb 0.68 -0.18 -0.03 0.00 -0.57 0.00 0.00 32.23 32.13 3m92 h LYS 19 CO 0.05 0.86 0.33 0.82 -2.06 0.00 0.00 179.45 179.45 3m92 h ILE 20 N 1.02 1.24 -0.06 1.86 2.04 -0.54 -1.54 117.51 121.53 3m92 h ILE 20 Ca 0.24 -0.71 -0.00 0.00 1.00 0.00 0.00 64.86 65.39 3m92 h ILE 20 Cb 0.18 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 36.62 3m92 h ILE 20 CO -0.02 0.29 0.03 0.40 0.00 0.00 0.00 178.15 178.85 3m92 h ILE 21 N 1.03 1.07 -0.86 -0.67 2.04 -1.10 -1.00 117.51 118.02 3m92 h ILE 21 Ca 0.25 -0.19 0.04 0.00 1.00 0.00 0.00 64.86 65.95 3m92 h ILE 21 Cb 0.15 1.09 -0.05 0.00 -0.74 0.00 0.00 36.82 37.27 3m92 h ILE 21 CO -0.03 0.06 0.55 0.03 0.00 0.00 0.00 178.15 178.76 3m92 h ARG 22 N 0.02 1.02 -0.11 2.37 2.47 -1.15 -0.16 114.38 118.85 3m92 h ARG 22 Ca 0.02 -0.06 -0.14 0.00 -1.26 0.00 0.00 59.98 58.54 3m92 h ARG 22 Cb 0.07 -0.23 -0.01 0.00 -1.65 0.00 0.00 29.97 28.14 3m92 h ARG 22 CO -0.00 0.68 -0.56 0.93 0.56 0.00 0.00 179.97 181.58 3m92 h GLU 23 N 1.05 0.32 -0.78 0.04 4.39 -1.02 -1.66 114.58 116.92 3m92 h GLU 23 Ca 0.35 -0.20 -0.03 0.00 0.34 0.00 0.00 59.36 59.81 3m92 h GLU 23 Cb 0.04 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.67 3m92 h GLU 23 CO -0.13 0.79 0.37 0.45 -1.16 0.00 0.00 179.01 179.33 3m92 h HIS 24 N 0.25 1.13 -0.23 4.33 3.86 -0.71 -0.25 115.15 123.54 3m92 h HIS 24 Ca 0.00 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 3m92 h HIS 24 Cb 1.05 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 29.16 3m92 h HIS 24 CO 0.03 0.83 0.15 1.49 0.86 0.00 0.00 177.93 181.29 3m92 h GLU 25 N 1.11 0.31 0.06 2.45 4.81 -0.65 -0.65 114.58 122.01 3m92 h GLU 25 Ca 0.27 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.50 3m92 h GLU 25 Cb 0.13 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.40 3m92 h GLU 25 CO -0.03 0.21 -0.36 -0.44 -0.73 0.00 0.00 179.01 177.66 3m92 h ASP 26 N 0.31 -1.07 -0.59 1.04 5.19 -1.00 -2.98 116.42 117.31 3m92 h ASP 26 Ca 0.08 0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.63 3m92 h ASP 26 Cb -0.03 0.42 -0.03 0.00 0.18 0.00 0.00 39.33 39.87 3m92 h ASP 26 CO -0.02 -0.43 0.39 0.74 -3.12 0.00 0.00 179.24 176.80 3m92 h THR 27 N -0.55 1.16 0.00 0.35 2.02 -0.83 -3.01 112.91 112.04 3m92 h THR 27 Ca 0.04 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 66.92 3m92 h THR 27 Cb 0.61 0.28 -0.00 0.00 -1.74 0.00 0.00 68.15 67.30 3m92 h THR 27 CO -0.25 0.15 -0.07 -0.07 0.37 0.00 0.00 175.52 175.64 3m92 h LEU 28 N 0.81 0.00 -1.73 2.58 4.07 -0.95 0.36 115.31 120.44 3m92 h LEU 28 Ca 0.22 0.00 0.17 0.00 0.08 0.00 0.00 57.88 58.35 3m92 h LEU 28 Cb -0.09 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.61 3m92 h LEU 28 CO -0.05 0.07 0.51 0.00 -1.08 0.00 0.00 178.44 177.90 3m92 h ALA 29 N 1.93 2.33 -0.20 1.53 0.00 -1.61 -1.07 119.26 122.17 3m92 h ALA 29 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3m92 h ALA 29 Cb 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3m92 h ALA 29 CO 0.01 -0.54 0.00 0.41 0.00 0.00 0.00 179.25 179.13 3m92 n GLY 30 N -1.58 1.05 3.77 0.00 0.00 0.11 -4.96 105.19 103.59 3m92 n GLY 30 Ca 0.15 -0.63 -0.39 0.00 0.00 0.00 0.00 46.02 45.15 3m92 n GLY 30 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3m92 s ILE 31 N -1.75 4.86 -0.15 -0.61 1.01 -0.41 -5.01 121.20 119.14 3m92 s ILE 31 Ca 0.34 1.26 -0.09 0.00 0.00 0.00 0.00 60.65 62.17 3m92 s ILE 31 Cb 0.21 -3.94 0.05 0.00 0.01 0.00 0.00 42.46 38.79 3m92 s ILE 31 CO 0.30 0.44 0.37 -0.70 0.00 0.00 0.00 174.94 175.36 3m92 s GLU 32 N -0.37 0.36 -0.15 2.79 2.12 -1.26 -5.04 118.70 117.15 3m92 s GLU 32 Ca 0.31 0.70 -0.29 0.00 0.36 0.00 0.00 54.97 56.05 3m92 s GLU 32 Cb -0.19 -0.01 -0.00 0.00 0.26 0.00 0.00 34.13 34.19 3m92 s GLU 32 CO 0.18 -0.15 1.03 0.00 -0.54 0.00 0.00 175.26 175.79 3m92 s ALA 33 N 1.22 3.53 -0.41 6.30 0.00 -1.26 -4.33 121.76 126.80 3m92 s ALA 33 Ca -0.08 0.31 0.06 0.00 0.00 0.00 0.00 51.96 52.25 3m92 s ALA 33 Cb -0.08 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 3m92 s ALA 33 CO -0.10 -0.80 0.36 0.25 0.00 0.00 0.00 175.76 175.46 3m92 n THR 34 N 4.88 0.00 -3.70 0.00 -2.24 0.30 -4.99 114.28 108.53 3m92 n THR 34 Ca 0.10 -0.38 -0.13 0.00 -2.27 0.00 0.00 64.05 61.37 3m92 n THR 34 Cb 0.47 1.03 -0.07 0.00 -2.10 0.00 0.00 70.33 69.66 3m92 n THR 34 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3m92 s GLY 35 N -1.39 -0.24 -0.15 3.38 0.00 -0.91 -4.98 107.32 103.03 3m92 s GLY 35 Ca 0.04 0.33 -0.15 0.00 0.00 0.00 0.00 44.72 44.93 3m92 s GLY 35 CO 0.22 0.08 0.42 0.54 0.00 0.00 0.00 173.10 174.37 3m92 s VAL 36 N -2.10 0.00 0.21 1.40 0.11 -1.26 0.32 120.40 119.08 3m92 s VAL 36 Ca -0.08 -0.04 0.04 0.00 -2.93 0.00 0.00 61.98 58.97 3m92 s VAL 36 Cb -0.02 -0.61 -0.05 0.00 -1.53 0.00 0.00 36.38 34.17 3m92 s VAL 36 CO 0.00 -0.02 -0.03 0.42 -3.33 0.00 0.00 175.10 172.14 3m92 s THR 37 N 0.07 1.05 -0.35 5.04 -4.23 -0.79 -4.99 115.64 111.45 3m92 s THR 37 Ca -0.01 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.46 3m92 s THR 37 Cb -0.03 -2.22 0.09 0.00 1.34 0.00 0.00 72.50 71.68 3m92 s THR 37 CO 0.01 -0.43 0.07 -1.58 -0.54 0.00 0.00 174.62 172.16 3m92 s GLN 38 N -3.84 1.96 0.02 3.99 0.74 -1.26 -1.06 119.66 120.21 3m92 s GLN 38 Ca 0.25 -1.66 -0.14 0.00 0.05 0.00 0.00 55.36 53.86 3m92 s GLN 38 Cb 0.05 -3.30 -0.35 0.00 1.10 0.00 0.00 33.01 30.51 3m92 s GLN 38 CO 0.07 -0.87 0.97 0.07 -0.55 0.00 0.00 175.29 174.97 3m92 h ARG 39 N 7.87 0.51 -0.03 1.67 0.11 -1.70 -3.42 114.38 119.39 3m92 h ARG 39 Ca -0.13 -0.87 -0.24 0.00 0.10 0.00 0.00 59.98 58.85 3m92 h ARG 39 Cb 1.04 0.32 -0.15 0.00 1.11 0.00 0.00 29.97 32.29 3m92 h ARG 39 CO 0.58 1.42 -0.42 0.27 0.10 0.00 0.00 179.97 181.91 3m92 n ASN 40 N -3.69 -2.12 0.00 0.08 0.23 -1.26 -4.90 115.26 103.61 3m92 n ASN 40 Ca -0.17 -3.22 0.00 0.00 -0.53 0.00 0.00 54.58 50.65 3m92 n ASN 40 Cb 1.10 1.54 0.00 0.00 -2.08 0.00 0.00 39.78 40.34 3m92 n ASN 40 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3m92 n GLY 41 N -0.01 1.03 3.29 4.83 0.00 -1.26 -5.04 105.19 108.02 3m92 n GLY 41 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 3m92 n GLY 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3m92 s VAL 42 N -3.24 2.96 0.33 1.61 1.01 -1.26 -4.97 120.40 116.85 3m92 s VAL 42 Ca 0.00 -0.65 -0.27 0.00 0.00 0.00 0.00 61.98 61.05 3m92 s VAL 42 Cb 0.00 -2.29 -0.09 0.00 0.00 0.00 0.00 36.38 33.99 3m92 s VAL 42 CO 0.00 0.48 1.13 -0.76 0.00 0.00 0.00 175.10 175.95 3m92 s LEU 43 N 1.06 4.39 -0.19 3.92 1.43 -1.26 -1.72 118.68 126.32 3m92 s LEU 43 Ca -0.00 2.30 -0.00 0.00 -1.03 0.00 0.00 54.13 55.39 3m92 s LEU 43 Cb -0.15 -3.81 0.05 0.00 0.03 0.00 0.00 46.19 42.31 3m92 s LEU 43 CO -0.02 -0.37 -0.05 -0.69 0.23 0.00 0.00 176.35 175.45 3m92 s VAL 44 N -1.30 1.17 0.16 -1.59 1.01 -0.22 -4.68 120.40 114.94 3m92 s VAL 44 Ca 0.50 -0.77 -0.14 0.00 0.00 0.00 0.00 61.98 61.57 3m92 s VAL 44 Cb -0.31 -1.39 -0.07 0.00 0.00 0.00 0.00 36.38 34.61 3m92 s VAL 44 CO 0.40 0.05 0.55 -0.36 0.00 0.00 0.00 175.10 175.73 3m92 s PHE 45 N 1.59 3.58 0.18 5.22 0.40 -1.26 -1.88 117.98 125.82 3m92 s PHE 45 Ca -0.01 1.04 0.07 0.00 -0.60 0.00 0.00 56.93 57.43 3m92 s PHE 45 Cb -0.16 -2.35 -0.04 0.00 0.51 0.00 0.00 43.02 40.97 3m92 s PHE 45 CO -0.07 0.41 -0.14 0.95 0.70 0.00 0.00 175.22 177.07 3m92 s THR 46 N -1.51 1.59 -0.20 0.64 -4.23 0.15 -4.96 115.64 107.12 3m92 s THR 46 Ca 0.39 -2.11 0.00 0.00 -1.18 0.00 0.00 61.69 58.79 3m92 s THR 46 Cb -0.14 -1.93 0.00 0.00 1.34 0.00 0.00 72.50 71.76 3m92 s THR 46 CO 0.19 -0.59 0.00 0.61 -0.54 0.00 0.00 174.62 174.30 3m92 n GLY 47 N -0.19 -0.60 3.63 3.99 0.00 -1.26 -0.54 105.19 110.22 3m92 n GLY 47 Ca -0.10 -0.62 -0.43 0.00 0.00 0.00 0.00 46.02 44.87 3m92 n GLY 47 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3m92 s ASP 48 N -4.00 6.75 0.00 1.61 -1.08 -1.26 -4.91 116.67 113.77 3m92 s ASP 48 Ca 0.00 1.09 0.26 0.00 -0.52 0.00 0.00 52.55 53.37 3m92 s ASP 48 Cb 0.00 -2.54 1.12 0.00 -1.46 0.00 0.00 42.92 40.03 3m92 s ASP 48 CO 0.00 -1.04 1.77 -1.22 0.52 0.00 0.00 175.17 175.20 3m92 n TYR 49 N 7.42 0.06 -3.82 -5.34 4.01 -1.26 -4.88 117.16 113.36 3m92 n TYR 49 Ca 0.14 -0.03 -0.25 0.00 -0.16 0.00 0.00 57.90 57.59 3m92 n TYR 49 Cb 0.47 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.52 3m92 n TYR 49 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3m92 n PHE 50 N -0.09 -2.02 -1.72 -0.72 3.72 -1.26 -3.90 117.46 111.46 3m92 n PHE 50 Ca 0.18 0.85 -0.33 0.00 -0.05 0.00 0.00 57.45 58.11 3m92 n PHE 50 Cb 0.27 -4.13 0.05 0.00 -0.94 0.00 0.00 39.48 34.73 3m92 n PHE 50 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3m92 s LEU 51 N -6.95 3.37 1.17 4.37 1.43 -1.26 -4.13 118.68 116.68 3m92 s LEU 51 Ca 0.27 2.01 -0.20 0.00 -1.03 0.00 0.00 54.13 55.18 3m92 s LEU 51 Cb -0.13 -4.55 0.28 0.00 0.03 0.00 0.00 46.19 41.82 3m92 s LEU 51 CO 0.83 -1.67 1.20 1.51 0.23 0.00 0.00 176.35 178.44 3m92 s ASP 52 N -2.58 1.28 0.59 2.29 1.47 0.07 -4.83 116.67 114.96 3m92 s ASP 52 Ca 0.67 0.38 0.37 0.00 1.18 0.00 0.00 52.55 55.15 3m92 s ASP 52 Cb -0.21 -0.45 1.79 0.00 -0.34 0.00 0.00 42.92 43.71 3m92 s ASP 52 CO 0.42 -3.88 2.14 -0.33 0.68 0.00 0.00 175.17 174.21 3m92 h GLU 53 N -2.42 0.00 -0.08 2.11 4.39 -1.96 -0.49 114.58 116.12 3m92 h GLU 53 Ca -0.43 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.27 3m92 h GLU 53 Cb 1.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 3m92 h GLU 53 CO 0.29 0.01 0.00 1.04 -1.16 0.00 0.00 179.01 179.19 3m92 n GLN 54 N -3.13 1.73 -0.66 2.33 1.13 -1.26 -4.94 117.38 112.59 3m92 n GLN 54 Ca -0.01 -1.08 0.00 0.00 -1.94 0.00 0.00 57.00 53.97 3m92 n GLN 54 Cb 0.21 -1.45 0.00 0.00 0.11 0.00 0.00 30.24 29.11 3m92 n GLN 54 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3m92 n GLY 55 N 1.17 0.63 3.86 1.08 0.00 -0.19 -5.06 105.19 106.69 3m92 n GLY 55 Ca 0.18 -0.35 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 3m92 n GLY 55 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m92 s LEU 56 N 0.00 4.22 0.46 0.99 1.43 -1.26 -4.77 118.68 119.75 3m92 s LEU 56 Ca 0.00 0.28 -0.23 0.00 -1.03 0.00 0.00 54.13 53.15 3m92 s LEU 56 Cb 0.00 -2.51 -0.09 0.00 0.03 0.00 0.00 46.19 43.62 3m92 s LEU 56 CO 0.00 0.26 0.98 -2.65 0.23 0.00 0.00 176.35 175.18 3m92 n PRO 57 N 1.01 1.24 -4.20 1.29 -0.02 -1.26 -0.75 135.00 132.31 3m92 n PRO 57 Ca -0.11 0.45 -0.25 0.00 -2.02 0.00 0.00 63.50 61.57 3m92 n PRO 57 Cb 0.53 -2.06 -0.08 0.00 -0.02 0.00 0.00 33.50 31.86 3m92 n PRO 57 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3m92 s THR 58 N -1.34 2.27 0.26 3.45 -4.23 -1.26 -4.75 115.64 110.03 3m92 s THR 58 Ca 0.66 -1.74 -0.03 0.00 -1.18 0.00 0.00 61.69 59.40 3m92 s THR 58 Cb -0.52 -3.00 0.25 0.00 1.34 0.00 0.00 72.50 70.57 3m92 s THR 58 CO 0.55 -0.00 1.70 0.00 -0.54 0.00 0.00 174.62 176.32 3m92 h ALA 59 N 1.48 1.08 -0.80 3.99 0.00 -1.96 0.20 119.26 123.26 3m92 h ALA 59 Ca -0.43 0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.69 3m92 h ALA 59 Cb 1.25 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 19.18 3m92 h ALA 59 CO 0.72 -0.31 0.52 -0.22 0.00 0.00 0.00 179.25 179.96 3m92 h LYS 60 N 0.33 0.90 -0.10 0.00 3.64 -1.94 -2.59 116.57 116.80 3m92 h LYS 60 Ca 0.45 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.81 3m92 h LYS 60 Cb 0.78 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.39 3m92 h LYS 60 CO -0.50 0.59 0.09 0.77 -2.27 0.00 0.00 179.45 178.14 3m92 h SER 61 N 0.92 0.00 -0.81 4.20 0.02 -1.06 -3.06 113.55 113.76 3m92 h SER 61 Ca 0.33 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.24 3m92 h SER 61 Cb 0.14 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.65 3m92 h SER 61 CO -0.11 0.00 0.34 0.74 -1.14 0.00 0.00 176.83 176.66 3m92 h THR 62 N 0.00 1.26 -0.44 -2.27 2.02 -1.46 -1.53 112.91 110.50 3m92 h THR 62 Ca 0.05 -0.80 -0.02 0.00 0.77 0.00 0.00 66.41 66.41 3m92 h THR 62 Cb 0.23 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 3m92 h THR 62 CO -0.00 0.33 0.19 0.00 0.37 0.00 0.00 175.52 176.42 3m92 h ALA 63 N 1.19 1.52 -0.13 6.16 0.00 -1.72 -1.40 119.26 124.88 3m92 h ALA 63 Ca 0.27 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3m92 h ALA 63 Cb 0.19 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3m92 h ALA 63 CO -0.03 0.38 -0.08 0.28 0.00 0.00 0.00 179.25 179.81 3m92 h VAL 64 N 0.62 1.33 -0.58 0.00 2.07 -1.43 -3.22 116.25 115.02 3m92 h VAL 64 Ca 0.15 -1.15 0.02 0.00 0.82 0.00 0.00 66.70 66.54 3m92 h VAL 64 Cb 0.10 1.81 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 3m92 h VAL 64 CO -0.02 0.33 0.36 -0.26 0.02 0.00 0.00 177.57 178.01 3m92 h PHE 65 N -0.07 0.68 0.00 1.57 0.04 -1.07 0.60 116.94 118.69 3m92 h PHE 65 Ca 0.03 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.82 3m92 h PHE 65 Cb 0.56 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 38.49 3m92 h PHE 65 CO 0.07 0.40 0.00 -1.71 -0.60 0.00 0.00 178.31 176.47 3m92 n ASN 66 N -4.73 0.00 0.00 2.17 2.85 -0.55 -1.13 115.26 113.87 3m92 n ASN 66 Ca 0.05 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.52 3m92 n ASN 66 Cb 0.07 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.09 3m92 n ASN 66 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 3m92 n PHE 68 N 0.18 0.00 -0.16 1.20 3.01 0.20 -1.23 117.46 120.66 3m92 n PHE 68 Ca 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.37 3m92 n PHE 68 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 3m92 n PHE 68 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 3m92 h LYS 69 N 0.00 0.77 -0.64 -1.08 1.63 -1.35 -1.74 116.57 114.16 3m92 h LYS 69 Ca 0.00 -0.21 0.01 0.00 -0.85 0.00 0.00 60.65 59.60 3m92 h LYS 69 Cb 0.00 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 31.51 3m92 h LYS 69 CO 0.00 0.79 0.42 1.25 -3.45 0.00 0.00 179.45 178.46 3m92 h HIS 70 N 0.64 0.79 -0.40 1.91 2.76 -1.42 0.33 115.15 119.76 3m92 h HIS 70 Ca 0.14 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.33 3m92 h HIS 70 Cb 0.39 -0.27 -0.02 0.00 1.55 0.00 0.00 27.41 29.06 3m92 h HIS 70 CO 0.03 0.49 0.26 -0.07 -1.30 0.00 0.00 177.93 177.33 3m92 h LEU 71 N 0.85 0.46 -0.18 0.26 3.38 -1.80 -0.75 115.31 117.53 3m92 h LEU 71 Ca 0.24 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.20 3m92 h LEU 71 Cb -0.07 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3m92 h LEU 71 CO -0.06 0.34 0.09 0.00 0.09 0.00 0.00 178.44 178.91 3m92 h ALA 72 N 1.14 0.22 -0.12 1.53 0.00 -1.01 0.22 119.26 121.23 3m92 h ALA 72 Ca 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3m92 h ALA 72 Cb -0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3m92 h ALA 72 CO -0.03 -0.33 0.08 1.25 0.00 0.00 0.00 179.25 180.22 3m92 h HIS 73 N 0.20 0.16 0.06 0.00 -0.00 -0.67 -1.92 115.15 112.98 3m92 h HIS 73 Ca 0.07 0.00 -0.13 0.00 -0.00 0.00 0.00 60.37 60.31 3m92 h HIS 73 Cb 0.01 -0.05 0.01 0.00 -0.00 0.00 0.00 27.41 27.38 3m92 h HIS 73 CO -0.09 0.13 -0.54 0.28 -0.00 0.00 0.00 177.93 177.71 3m92 h VAL 74 N 0.14 1.54 0.00 5.26 2.07 -1.01 -3.34 116.25 120.92 3m92 h VAL 74 Ca 0.04 -2.29 -0.10 0.00 0.82 0.00 0.00 66.70 65.17 3m92 h VAL 74 Cb 0.01 3.00 -0.01 0.00 -1.52 0.00 0.00 31.29 32.77 3m92 h VAL 74 CO -0.01 0.64 -0.49 -0.07 0.02 0.00 0.00 177.57 177.67 3m92 h LEU 75 N -0.42 0.00 -1.72 2.57 3.38 -0.60 -2.80 115.31 115.72 3m92 h LEU 75 Ca -0.09 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3m92 h LEU 75 Cb 1.35 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.10 3m92 h LEU 75 CO 0.10 0.49 -0.10 0.28 0.09 0.00 0.00 178.44 179.30 3m92 h SER 76 N 0.00 0.00 1.96 -0.43 0.02 -1.48 -0.83 113.55 112.79 3m92 h SER 76 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3m92 h SER 76 Cb 1.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.65 3m92 h SER 76 CO 0.06 0.10 0.00 -0.33 -1.14 0.00 0.00 176.83 175.52 3m92 h GLU 77 N 0.00 0.00 0.00 3.45 4.39 -1.61 -3.37 114.58 117.45 3m92 h GLU 77 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3m92 h GLU 77 Cb 0.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 3m92 h GLU 77 CO 0.01 0.00 -0.94 0.36 -1.16 0.00 0.00 179.01 177.28 3m92 n LYS 78 N -3.08 1.78 -4.28 2.33 2.85 -0.74 -5.05 118.16 111.96 3m92 n LYS 78 Ca 0.04 -0.04 -0.20 0.00 -1.05 0.00 0.00 58.31 57.06 3m92 n LYS 78 Cb 0.52 -1.02 -0.13 0.00 -0.65 0.00 0.00 35.03 33.76 3m92 n LYS 78 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3m92 s TYR 79 N -2.12 1.32 0.03 5.58 2.02 -0.39 -5.14 117.35 118.64 3m92 s TYR 79 Ca -0.01 -0.41 0.08 0.00 -0.37 0.00 0.00 57.07 56.36 3m92 s TYR 79 Cb 0.04 -0.76 -0.02 0.00 -0.40 0.00 0.00 41.96 40.82 3m92 s TYR 79 CO 0.24 0.07 -0.23 -3.38 -1.57 0.00 0.00 175.55 170.67 3m92 s HIS 80 N -1.06 2.06 -0.09 2.71 -3.43 -1.26 -4.56 115.29 109.65 3m92 s HIS 80 Ca 0.01 -0.39 -0.29 0.00 -0.80 0.00 0.00 55.06 53.59 3m92 s HIS 80 Cb -0.09 -1.26 -0.02 0.00 -1.43 0.00 0.00 32.58 29.78 3m92 s HIS 80 CO 0.02 0.07 0.97 -1.17 -2.00 0.00 0.00 174.74 172.62 3m92 s LEU 81 N -1.00 4.27 0.00 5.38 2.96 -1.26 -5.20 118.68 123.82 3m92 s LEU 81 Ca 0.09 1.50 0.09 0.00 -0.22 0.00 0.00 54.13 55.59 3m92 s LEU 81 Cb -0.09 -3.50 0.07 0.00 0.50 0.00 0.00 46.19 43.17 3m92 s LEU 81 CO 0.01 -0.39 0.78 1.33 -1.32 0.00 0.00 176.35 176.76