#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nwb s GLN 2 N 0.00 0.53 -0.41 0.03 -0.21 -1.26 -5.12 119.66 113.23 1nwb s GLN 2 Ca 0.00 -0.71 0.03 0.00 0.02 0.00 0.00 55.36 54.70 1nwb s GLN 2 Cb 0.00 -0.33 0.11 0.00 1.00 0.00 0.00 33.01 33.80 1nwb s GLN 2 CO 0.00 0.06 0.15 -1.21 -2.12 0.00 0.00 175.29 172.17 1nwb s GLU 3 N -1.44 1.48 -0.37 2.91 2.02 -1.26 -5.08 118.70 116.96 1nwb s GLU 3 Ca -0.09 -2.01 -0.24 0.00 0.02 0.00 0.00 54.97 52.65 1nwb s GLU 3 Cb -0.09 -2.92 0.01 0.00 0.10 0.00 0.00 34.13 31.23 1nwb s GLU 3 CO 0.00 -1.04 0.85 -0.65 0.02 0.00 0.00 175.26 174.45 1nwb s GLN 4 N 0.55 3.76 -0.96 1.61 1.11 -1.26 -4.94 119.66 119.54 1nwb s GLN 4 Ca 0.14 0.40 -0.26 0.00 0.01 0.00 0.00 55.36 55.64 1nwb s GLN 4 Cb -0.22 -3.82 -0.19 0.00 -1.01 0.00 0.00 33.01 27.77 1nwb s GLN 4 CO -0.07 -0.92 2.24 0.00 0.01 0.00 0.00 175.29 176.55 1nwb s ALA 5 N 3.30 0.52 -0.76 6.09 0.00 -1.26 -4.71 121.76 124.94 1nwb s ALA 5 Ca 0.34 -1.19 -0.01 0.00 0.00 0.00 0.00 51.96 51.11 1nwb s ALA 5 Cb -0.12 -4.65 0.37 0.00 0.00 0.00 0.00 23.12 18.71 1nwb s ALA 5 CO 0.18 -6.57 1.85 0.00 0.00 0.00 0.00 175.76 171.23 1nwb n GLN 6 N 8.44 2.88 -3.97 0.00 10.64 -1.26 -4.81 117.38 129.30 1nwb n GLN 6 Ca 0.44 -3.70 -0.31 0.00 -1.83 0.00 0.00 57.00 51.60 1nwb n GLN 6 Cb 0.45 -2.27 -0.15 0.00 -0.86 0.00 0.00 30.24 27.42 1nwb n GLN 6 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.06 174.09 1nwb s GLN 7 N -3.97 1.41 -0.20 2.61 2.00 -1.26 -2.99 119.66 117.26 1nwb s GLN 7 Ca 0.52 -1.83 -0.16 0.00 -2.00 0.00 0.00 55.36 51.89 1nwb s GLN 7 Cb 0.43 -3.05 -0.04 0.00 0.80 0.00 0.00 33.01 31.16 1nwb s GLN 7 CO -0.36 -0.96 0.40 0.12 -0.50 0.00 0.00 175.29 173.99 1nwb s PHE 8 N 0.90 3.38 -0.45 1.67 2.19 -1.26 -5.04 117.98 119.37 1nwb s PHE 8 Ca 0.11 0.62 -0.25 0.00 0.33 0.00 0.00 56.93 57.74 1nwb s PHE 8 Cb -0.19 -2.52 0.03 0.00 -1.31 0.00 0.00 43.02 39.02 1nwb s PHE 8 CO -0.10 -0.00 0.89 0.42 1.83 0.00 0.00 175.22 178.27 1nwb s ILE 9 N 1.28 4.52 -0.01 3.12 -1.09 -1.26 -4.88 121.20 122.88 1nwb s ILE 9 Ca 0.19 0.69 -0.24 0.00 -2.23 0.00 0.00 60.65 59.06 1nwb s ILE 9 Cb -0.15 -4.40 0.05 0.00 -1.58 0.00 0.00 42.46 36.38 1nwb s ILE 9 CO 0.08 -0.79 0.53 0.12 -1.23 0.00 0.00 174.94 173.64 1nwb s PHE 10 N 3.63 -0.45 -0.21 3.97 5.36 -1.26 -3.06 117.98 125.96 1nwb s PHE 10 Ca 0.35 0.69 -0.02 0.00 -0.96 0.00 0.00 56.93 57.00 1nwb s PHE 10 Cb -0.11 0.30 0.06 0.00 -0.34 0.00 0.00 43.02 42.93 1nwb s PHE 10 CO 0.25 -0.55 0.02 0.15 -1.46 0.00 0.00 175.22 173.63 1nwb s LYS 11 N -1.58 0.88 0.06 10.12 -0.14 -1.05 -5.03 119.74 123.00 1nwb s LYS 11 Ca -0.10 -0.58 0.05 0.00 -1.36 0.00 0.00 55.97 53.98 1nwb s LYS 11 Cb -0.02 -2.22 -0.04 0.00 -1.68 0.00 0.00 37.83 33.88 1nwb s LYS 11 CO 0.05 -0.65 -0.07 0.54 -0.76 0.00 0.00 175.35 174.46 1nwb s VAL 12 N 1.74 3.59 1.35 3.17 0.11 -1.26 -3.54 120.40 125.56 1nwb s VAL 12 Ca -0.02 -1.03 -0.21 0.00 -2.93 0.00 0.00 61.98 57.80 1nwb s VAL 12 Cb -0.17 -2.64 0.34 0.00 -1.53 0.00 0.00 36.38 32.37 1nwb s VAL 12 CO -0.08 0.22 0.99 0.42 -3.33 0.00 0.00 175.10 173.32 1nwb s THR 13 N -1.15 1.36 -0.21 5.04 -4.23 -1.25 -4.86 115.64 110.35 1nwb s THR 13 Ca 0.21 0.00 0.22 0.00 -1.18 0.00 0.00 61.69 60.94 1nwb s THR 13 Cb -0.11 -2.19 0.26 0.00 1.34 0.00 0.00 72.50 71.79 1nwb s THR 13 CO 0.12 0.00 1.65 0.44 -0.54 0.00 0.00 174.62 176.29 1nwb h ASP 14 N -3.14 0.00 -0.18 3.99 5.19 -1.97 -3.10 116.42 117.21 1nwb h ASP 14 Ca -0.45 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 55.94 1nwb h ASP 14 Cb 1.33 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.83 1nwb h ASP 14 CO 0.31 0.17 0.02 0.50 -3.12 0.00 0.00 179.24 177.12 1nwb h LYS 15 N 0.00 0.30 0.60 3.56 3.11 -1.91 0.42 116.57 122.65 1nwb h LYS 15 Ca -0.00 -0.09 -0.03 0.00 -2.81 0.00 0.00 60.65 57.73 1nwb h LYS 15 Cb 1.00 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 32.20 1nwb h LYS 15 CO 0.02 0.48 -0.32 0.00 -2.81 0.00 0.00 179.45 176.82 1nwb h ALA 16 N 0.81 -0.86 -0.65 5.00 0.00 -1.67 0.35 119.26 122.25 1nwb h ALA 16 Ca 0.05 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 54.87 1nwb h ALA 16 Cb 0.33 0.37 -0.07 0.00 0.00 0.00 0.00 17.79 18.42 1nwb h ALA 16 CO 0.00 -0.99 0.31 0.28 0.00 0.00 0.00 179.25 178.86 1nwb h VAL 17 N -0.85 0.86 -1.00 0.00 2.07 -1.52 -0.08 116.25 115.72 1nwb h VAL 17 Ca -0.08 -0.19 0.03 0.00 0.82 0.00 0.00 66.70 67.29 1nwb h VAL 17 Cb 0.67 0.26 -0.06 0.00 -1.52 0.00 0.00 31.29 30.65 1nwb h VAL 17 CO 0.11 0.10 0.66 -0.33 0.02 0.00 0.00 177.57 178.13 1nwb h GLU 18 N 0.55 1.26 -0.44 1.57 5.08 0.23 -2.05 114.58 120.78 1nwb h GLU 18 Ca 0.31 -0.08 0.05 0.00 -1.00 0.00 0.00 59.36 58.65 1nwb h GLU 18 Cb 0.32 -0.28 -0.05 0.00 0.50 0.00 0.00 28.75 29.23 1nwb h GLU 18 CO -0.25 0.83 0.16 1.49 -1.00 0.00 0.00 179.01 180.24 1nwb h GLU 19 N 1.29 0.32 -0.93 2.33 4.57 0.16 -0.19 114.58 122.13 1nwb h GLU 19 Ca 0.39 -0.02 0.11 0.00 -1.18 0.00 0.00 59.36 58.67 1nwb h GLU 19 Cb -0.04 -0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 28.41 1nwb h GLU 19 CO -0.11 0.21 0.60 0.82 -1.18 0.00 0.00 179.01 179.35 1nwb h ILE 20 N 0.33 0.93 -0.63 2.32 1.08 -0.73 0.98 117.51 121.79 1nwb h ILE 20 Ca 0.20 -0.31 -0.07 0.00 -0.39 0.00 0.00 64.86 64.29 1nwb h ILE 20 Cb 0.19 -0.04 -0.03 0.00 -3.07 0.00 0.00 36.82 33.87 1nwb h ILE 20 CO -0.20 0.16 0.12 0.11 -0.69 0.00 0.00 178.15 177.66 1nwb h LYS 21 N 0.90 1.04 -0.29 2.37 1.57 -0.76 0.84 116.57 122.23 1nwb h LYS 21 Ca 0.45 -0.27 0.06 0.00 -1.87 0.00 0.00 60.65 59.02 1nwb h LYS 21 Cb 0.49 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 32.61 1nwb h LYS 21 CO -0.21 0.95 -0.11 0.87 -0.57 0.00 0.00 179.45 180.39 1nwb h LYS 22 N 0.95 -0.05 0.00 3.15 1.57 0.68 1.94 116.57 124.82 1nwb h LYS 22 Ca 0.20 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.94 1nwb h LYS 22 Cb 0.40 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1nwb h LYS 22 CO 0.01 -0.03 -0.20 0.28 -0.57 0.00 0.00 179.45 178.94 1nwb h VAL 23 N -0.05 0.55 0.04 0.50 2.07 -1.11 -2.47 116.25 115.77 1nwb h VAL 23 Ca 0.15 -0.99 -0.00 0.00 0.82 0.00 0.00 66.70 66.67 1nwb h VAL 23 Cb 0.27 1.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 1nwb h VAL 23 CO -0.33 0.20 -0.02 0.00 0.02 0.00 0.00 177.57 177.44 1nwb h ALA 24 N 1.80 -0.05 -0.88 1.67 0.00 0.20 -3.21 119.26 118.79 1nwb h ALA 24 Ca -0.00 -0.33 0.16 0.00 0.00 0.00 0.00 54.91 54.74 1nwb h ALA 24 Cb 0.66 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.40 1nwb h ALA 24 CO 0.03 -0.15 0.57 1.96 0.00 0.00 0.00 179.25 181.66 1nwb h GLN 25 N -0.82 0.55 0.00 0.00 1.08 0.30 1.76 115.11 117.97 1nwb h GLN 25 Ca -0.01 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1nwb h GLN 25 Cb 0.68 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.98 1nwb h GLN 25 CO 0.01 0.36 0.00 0.39 -0.95 0.00 0.00 178.83 178.64 1nwb n GLU 26 N -4.54 0.16 -0.26 1.46 -0.58 -0.94 -2.04 120.64 113.90 1nwb n GLU 26 Ca 0.18 0.17 0.01 0.00 -0.42 0.00 0.00 57.16 57.10 1nwb n GLU 26 Cb 0.55 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 29.93 1nwb n GLU 26 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1nwb n ASN 27 N -1.34 0.21 -4.36 1.62 3.02 0.38 -5.00 115.26 109.79 1nwb n ASN 27 Ca 0.06 -1.66 -0.36 0.00 -0.03 0.00 0.00 54.58 52.60 1nwb n ASN 27 Cb 0.13 -0.12 -0.08 0.00 -0.61 0.00 0.00 39.78 39.10 1nwb n ASN 27 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1nwb n ASN 28 N -0.10 -0.73 -4.45 6.41 5.15 0.50 -4.85 115.26 117.20 1nwb n ASN 28 Ca 0.01 -1.21 -0.44 0.00 -0.60 0.00 0.00 54.58 52.34 1nwb n ASN 28 Cb 0.60 -1.87 -0.08 0.00 -0.53 0.00 0.00 39.78 37.90 1nwb n ASN 28 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1nwb s ILE 29 N -3.78 5.06 -2.03 -1.44 1.01 0.16 -4.89 121.20 115.30 1nwb s ILE 29 Ca 0.41 -0.58 0.16 0.00 0.00 0.00 0.00 60.65 60.65 1nwb s ILE 29 Cb -0.23 -4.14 0.45 0.00 0.01 0.00 0.00 42.46 38.55 1nwb s ILE 29 CO 0.99 -0.57 1.61 -0.62 0.00 0.00 0.00 174.94 176.34 1nwb n GLU 30 N 5.66 1.08 -2.95 2.79 1.02 -1.26 -3.93 120.64 123.05 1nwb n GLU 30 Ca -0.08 -0.12 -0.15 0.00 -0.02 0.00 0.00 57.16 56.78 1nwb n GLU 30 Cb 0.46 -1.27 -0.00 0.00 -0.02 0.00 0.00 31.44 30.61 1nwb n GLU 30 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1nwb n ASN 31 N -0.63 -1.42 -4.63 1.62 6.94 -1.26 -4.84 115.26 111.04 1nwb n ASN 31 Ca 0.12 -3.07 -0.43 0.00 -0.02 0.00 0.00 54.58 51.18 1nwb n ASN 31 Cb 0.09 0.71 -0.02 0.00 -2.36 0.00 0.00 39.78 38.19 1nwb n ASN 31 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1nwb s PRO 32 N -0.27 3.95 -0.65 -0.53 0.04 -1.25 -4.83 135.00 131.46 1nwb s PRO 32 Ca 0.33 1.36 -0.14 0.00 0.04 0.00 0.00 61.00 62.59 1nwb s PRO 32 Cb 0.22 -3.88 0.17 0.00 0.04 0.00 0.00 34.50 31.04 1nwb s PRO 32 CO -0.17 -1.08 0.59 0.42 0.04 0.00 0.00 177.00 176.80 1nwb s ILE 33 N 4.34 5.23 0.11 0.56 1.01 -1.26 -3.03 121.20 128.17 1nwb s ILE 33 Ca 0.58 -1.96 0.02 0.00 0.00 0.00 0.00 60.65 59.29 1nwb s ILE 33 Cb -0.18 -4.31 -0.04 0.00 0.01 0.00 0.00 42.46 37.94 1nwb s ILE 33 CO 0.23 -0.92 0.22 -1.48 0.00 0.00 0.00 174.94 172.98 1nwb s LEU 34 N 0.96 4.22 0.03 2.97 -0.00 -1.21 0.14 118.68 125.79 1nwb s LEU 34 Ca 0.10 0.15 0.07 0.00 -0.00 0.00 0.00 54.13 54.44 1nwb s LEU 34 Cb -0.22 -2.82 -0.02 0.00 -0.00 0.00 0.00 46.19 43.13 1nwb s LEU 34 CO -0.02 0.11 -0.19 0.00 -0.00 0.00 0.00 176.35 176.24 1nwb s ARG 35 N -2.87 1.35 0.15 1.48 1.70 -1.08 -1.85 118.95 117.83 1nwb s ARG 35 Ca 0.34 -0.85 -0.14 0.00 -0.47 0.00 0.00 55.73 54.61 1nwb s ARG 35 Cb -0.12 -1.41 -0.07 0.00 -0.57 0.00 0.00 34.95 32.78 1nwb s ARG 35 CO 0.27 0.36 0.55 -1.50 -1.08 0.00 0.00 175.30 173.90 1nwb s ILE 36 N -0.73 4.86 0.10 4.99 1.10 -0.89 -4.28 121.20 126.35 1nwb s ILE 36 Ca 0.07 0.80 -0.02 0.00 -0.51 0.00 0.00 60.65 60.98 1nwb s ILE 36 Cb -0.08 -3.73 -0.03 0.00 0.15 0.00 0.00 42.46 38.77 1nwb s ILE 36 CO 0.01 0.22 0.06 -0.60 -2.11 0.00 0.00 174.94 172.52 1nwb s ARG 37 N -2.02 0.84 -0.19 3.50 3.52 -1.26 -4.19 118.95 119.16 1nwb s ARG 37 Ca 0.38 -1.31 -0.08 0.00 -0.13 0.00 0.00 55.73 54.59 1nwb s ARG 37 Cb -0.15 0.25 -0.04 0.00 -1.56 0.00 0.00 34.95 33.45 1nwb s ARG 37 CO 0.19 -0.23 0.09 0.08 -0.81 0.00 0.00 175.30 174.63 1nwb s VAL 38 N -3.99 5.08 -0.47 7.11 1.01 -1.26 -3.94 120.40 123.94 1nwb s VAL 38 Ca 0.17 0.07 0.04 0.00 0.00 0.00 0.00 61.98 62.25 1nwb s VAL 38 Cb 0.07 -3.30 0.12 0.00 0.00 0.00 0.00 36.38 33.28 1nwb s VAL 38 CO -0.03 0.46 0.22 -0.69 0.00 0.00 0.00 175.10 175.06 1nwb s VAL 39 N 0.28 2.33 -1.03 2.92 1.01 -1.24 -5.04 120.40 119.63 1nwb s VAL 39 Ca 0.06 -3.00 -0.23 0.00 0.00 0.00 0.00 61.98 58.81 1nwb s VAL 39 Cb -0.12 -2.64 0.00 0.00 0.00 0.00 0.00 36.38 33.62 1nwb s VAL 39 CO -0.01 -0.77 1.72 -2.16 0.00 0.00 0.00 175.10 173.88 1nwb s PRO 40 N 0.05 3.13 0.00 2.72 0.04 -1.26 -4.33 135.00 135.35 1nwb s PRO 40 Ca 0.16 -0.92 0.00 0.00 0.04 0.00 0.00 61.00 60.27 1nwb s PRO 40 Cb -0.24 -5.26 0.00 0.00 0.04 0.00 0.00 34.50 29.04 1nwb s PRO 40 CO -0.02 -2.85 0.00 0.41 0.04 0.00 0.00 177.00 174.58 1nwb n GLY 41 N 6.57 0.68 3.10 0.56 0.00 -1.26 -5.13 105.19 109.71 1nwb n GLY 41 Ca 0.39 0.07 -0.26 0.00 0.00 0.00 0.00 46.02 46.22 1nwb n GLY 41 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nwb s GLY 42 N 0.00 0.93 0.14 -0.02 0.00 -1.25 -4.98 107.32 102.14 1nwb s GLY 42 Ca 0.00 -0.61 -0.18 0.00 0.00 0.00 0.00 44.72 43.93 1nwb s GLY 42 CO 0.00 -0.13 1.73 0.00 0.00 0.00 0.00 173.10 174.69 1nwb h SER 44 N 0.11 0.85 0.00 0.00 0.87 -2.00 -3.49 113.55 109.89 1nwb h SER 44 Ca 0.12 -0.82 0.00 0.00 -1.23 0.00 0.00 61.79 59.86 1nwb h SER 44 Cb 0.14 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 61.83 1nwb h SER 44 CO -0.18 1.62 0.00 0.61 -0.53 0.00 0.00 176.83 178.35 1nwb n GLY 45 N 1.45 1.03 3.57 5.77 0.00 -1.00 -5.11 105.19 110.91 1nwb n GLY 45 Ca -0.14 -1.00 -0.43 0.00 0.00 0.00 0.00 46.02 44.45 1nwb n GLY 45 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1nwb s PHE 46 N -2.00 2.96 0.34 1.61 -0.12 -1.26 -3.85 117.98 115.66 1nwb s PHE 46 Ca 0.00 0.47 0.03 0.00 -0.05 0.00 0.00 56.93 57.37 1nwb s PHE 46 Cb 0.00 -3.89 -0.01 0.00 -0.63 0.00 0.00 43.02 38.49 1nwb s PHE 46 CO 0.00 -1.03 0.38 -0.65 -0.05 0.00 0.00 175.22 173.86 1nwb s GLN 47 N 3.68 1.85 -0.13 1.99 1.11 -1.26 -4.98 119.66 121.91 1nwb s GLN 47 Ca 0.37 -1.91 -0.05 0.00 0.01 0.00 0.00 55.36 53.78 1nwb s GLN 47 Cb -0.11 0.38 -0.04 0.00 -1.01 0.00 0.00 33.01 32.24 1nwb s GLN 47 CO 0.25 -0.73 0.05 0.71 0.01 0.00 0.00 175.29 175.58 1nwb s TYR 48 N -3.22 3.26 0.24 0.91 1.51 -1.26 -3.72 117.35 115.07 1nwb s TYR 48 Ca 0.36 0.17 0.05 0.00 -1.01 0.00 0.00 57.07 56.64 1nwb s TYR 48 Cb 0.01 -1.94 -0.03 0.00 -0.11 0.00 0.00 41.96 39.89 1nwb s TYR 48 CO 0.24 0.36 0.37 0.00 -1.11 0.00 0.00 175.55 175.41 1nwb s ALA 49 N -0.34 3.92 0.22 3.71 0.00 -1.25 -4.75 121.76 123.26 1nwb s ALA 49 Ca 0.08 -1.20 0.09 0.00 0.00 0.00 0.00 51.96 50.93 1nwb s ALA 49 Cb -0.12 -1.75 -0.04 0.00 0.00 0.00 0.00 23.12 21.20 1nwb s ALA 49 CO 0.02 0.24 -0.04 -1.64 0.00 0.00 0.00 175.76 174.34 1nwb s MET 50 N -3.96 2.21 0.00 0.00 -1.94 -1.26 -4.02 119.30 110.34 1nwb s MET 50 Ca 0.34 -1.32 0.00 0.00 -1.71 0.00 0.00 55.69 53.01 1nwb s MET 50 Cb -0.09 -2.19 0.00 0.00 2.01 0.00 0.00 34.83 34.56 1nwb s MET 50 CO 0.29 0.40 0.00 0.41 -0.01 0.00 0.00 175.02 176.12 1nwb n GLY 51 N -0.42 1.10 3.71 -0.03 0.00 -1.26 -5.05 105.19 103.24 1nwb n GLY 51 Ca -0.09 0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1nwb n GLY 51 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1nwb s PHE 52 N -0.13 3.05 0.74 1.61 2.19 -1.26 -2.65 117.98 121.53 1nwb s PHE 52 Ca 0.00 0.82 -0.04 0.00 0.33 0.00 0.00 56.93 58.04 1nwb s PHE 52 Cb 0.00 -3.73 0.11 0.00 -1.31 0.00 0.00 43.02 38.09 1nwb s PHE 52 CO 0.00 -2.65 1.03 0.34 1.83 0.00 0.00 175.22 175.76 1nwb s ASP 53 N 1.43 4.34 0.09 6.13 2.15 0.37 -4.88 116.67 126.30 1nwb s ASP 53 Ca 0.66 -0.04 -0.14 0.00 0.43 0.00 0.00 52.55 53.46 1nwb s ASP 53 Cb -0.37 -0.40 -0.14 0.00 -0.30 0.00 0.00 42.92 41.72 1nwb s ASP 53 CO 0.30 -1.87 1.32 0.44 -0.17 0.00 0.00 175.17 175.19 1nwb h ASP 54 N -0.66 0.88 -2.28 -0.34 3.32 -1.95 -3.42 116.42 111.97 1nwb h ASP 54 Ca -0.40 -0.60 0.06 0.00 0.02 0.00 0.00 57.03 56.11 1nwb h ASP 54 Cb 1.28 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 1nwb h ASP 54 CO 0.45 1.32 0.35 1.07 -1.72 0.00 0.00 179.24 180.71 1nwb n THR 55 N -4.04 0.00 -2.53 0.35 5.66 -1.26 -5.00 114.28 107.46 1nwb n THR 55 Ca -0.07 -0.58 -0.31 0.00 -3.05 0.00 0.00 64.05 60.05 1nwb n THR 55 Cb 0.67 0.67 -0.02 0.00 -1.55 0.00 0.00 70.33 70.09 1nwb n THR 55 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1nwb s VAL 56 N -2.24 4.70 0.62 1.08 1.01 -1.26 -5.03 120.40 119.28 1nwb s VAL 56 Ca 0.15 0.81 -0.02 0.00 0.00 0.00 0.00 61.98 62.92 1nwb s VAL 56 Cb -0.03 -3.76 0.05 0.00 0.00 0.00 0.00 36.38 32.63 1nwb s VAL 56 CO 0.06 -0.71 0.88 -1.61 0.00 0.00 0.00 175.10 173.73 1nwb s GLU 57 N -4.22 2.39 -0.11 2.72 2.02 -1.26 -4.97 118.70 115.27 1nwb s GLU 57 Ca 0.54 -0.55 0.04 0.00 0.02 0.00 0.00 54.97 55.02 1nwb s GLU 57 Cb -0.10 -2.35 0.29 0.00 0.10 0.00 0.00 34.13 32.07 1nwb s GLU 57 CO 0.36 -0.95 1.08 -1.91 0.02 0.00 0.00 175.26 173.87 1nwb n GLU 58 N -2.60 2.13 0.00 1.61 2.13 -1.26 -4.18 120.64 118.48 1nwb n GLU 58 Ca 0.08 -1.15 0.00 0.00 0.66 0.00 0.00 57.16 56.75 1nwb n GLU 58 Cb 0.60 -1.67 0.00 0.00 0.27 0.00 0.00 31.44 30.64 1nwb n GLU 58 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1nwb n GLY 59 N 0.12 -1.85 2.90 8.31 0.00 -1.26 -5.16 105.19 108.26 1nwb n GLY 59 Ca 0.14 0.88 -0.16 0.00 0.00 0.00 0.00 46.02 46.88 1nwb n GLY 59 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1nwb s ASP 60 N 0.00 0.48 -0.86 1.61 -1.08 -1.26 -4.74 116.67 110.82 1nwb s ASP 60 Ca 0.00 -0.06 -0.25 0.00 -0.52 0.00 0.00 52.55 51.72 1nwb s ASP 60 Cb 0.00 -0.14 -0.07 0.00 -1.46 0.00 0.00 42.92 41.25 1nwb s ASP 60 CO 0.00 -0.01 2.06 -1.00 0.52 0.00 0.00 175.17 176.74 1nwb s HIS 61 N 0.33 1.63 -0.25 -5.34 3.76 -1.21 -4.84 115.29 109.38 1nwb s HIS 61 Ca -0.03 0.97 -0.29 0.00 -0.15 0.00 0.00 55.06 55.56 1nwb s HIS 61 Cb -0.06 -3.90 -0.00 0.00 1.11 0.00 0.00 32.58 29.73 1nwb s HIS 61 CO -0.01 -1.73 1.23 0.54 -0.85 0.00 0.00 174.74 173.92 1nwb s VAL 62 N 11.19 4.29 -0.23 -0.90 0.11 -1.16 -3.32 120.40 130.39 1nwb s VAL 62 Ca 0.76 1.51 -0.02 0.00 -2.93 0.00 0.00 61.98 61.30 1nwb s VAL 62 Cb -0.08 -4.15 0.02 0.00 -1.53 0.00 0.00 36.38 30.63 1nwb s VAL 62 CO 0.02 -0.33 -0.09 0.12 -3.33 0.00 0.00 175.10 171.50 1nwb s PHE 63 N 3.86 2.98 0.34 1.54 5.36 0.50 -4.57 117.98 127.98 1nwb s PHE 63 Ca 0.53 -1.43 -0.29 0.00 -0.96 0.00 0.00 56.93 54.79 1nwb s PHE 63 Cb -0.18 -2.04 -0.11 0.00 -0.34 0.00 0.00 43.02 40.36 1nwb s PHE 63 CO 0.17 -0.70 1.37 -1.21 -1.46 0.00 0.00 175.22 173.39 1nwb s GLU 64 N 1.35 4.27 0.00 10.12 2.02 -1.26 -1.26 118.70 133.94 1nwb s GLU 64 Ca 0.03 2.34 0.00 0.00 0.02 0.00 0.00 54.97 57.35 1nwb s GLU 64 Cb -0.15 -3.04 0.00 0.00 0.10 0.00 0.00 34.13 31.04 1nwb s GLU 64 CO -0.06 -0.31 0.00 0.66 0.02 0.00 0.00 175.26 175.57 1nwb n TYR 65 N 0.79 -0.07 -1.01 1.61 4.02 0.50 -4.90 117.16 118.10 1nwb n TYR 65 Ca 0.01 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.47 1nwb n TYR 65 Cb 0.41 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.65 1nwb n TYR 65 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1nwb n ASP 66 N -0.60 2.08 -0.11 7.72 2.03 -1.26 -3.10 116.55 123.30 1nwb n ASP 66 Ca 0.00 -2.62 -0.01 0.00 0.52 0.00 0.00 54.79 52.67 1nwb n ASP 66 Cb 0.00 -0.97 -0.01 0.00 -0.72 0.00 0.00 41.12 39.42 1nwb n ASP 66 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1nwb n GLY 67 N 4.75 0.48 3.18 0.27 0.00 -1.26 -5.03 105.19 107.58 1nwb n GLY 67 Ca 0.48 -1.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.38 1nwb n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nwb s VAL 68 N -2.05 0.25 0.07 1.61 1.01 -1.18 -4.73 120.40 115.37 1nwb s VAL 68 Ca 0.00 -1.93 0.05 0.00 0.00 0.00 0.00 61.98 60.10 1nwb s VAL 68 Cb 0.00 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 1nwb s VAL 68 CO 0.00 -0.45 -0.06 -0.54 0.00 0.00 0.00 175.10 174.05 1nwb s LYS 69 N -4.02 2.40 0.02 2.72 1.02 -1.17 0.19 119.74 120.90 1nwb s LYS 69 Ca 0.25 -0.87 -0.03 0.00 0.02 0.00 0.00 55.97 55.33 1nwb s LYS 69 Cb 0.07 -2.44 -0.01 0.00 -0.52 0.00 0.00 37.83 34.93 1nwb s LYS 69 CO 0.03 0.55 0.05 0.08 -0.92 0.00 0.00 175.35 175.13 1nwb s VAL 70 N -1.18 0.11 0.04 3.17 1.01 -0.39 -3.31 120.40 119.85 1nwb s VAL 70 Ca 0.21 -0.88 -0.10 0.00 0.00 0.00 0.00 61.98 61.22 1nwb s VAL 70 Cb -0.11 -0.44 0.00 0.00 0.00 0.00 0.00 36.38 35.83 1nwb s VAL 70 CO 0.13 -0.48 0.20 0.68 0.00 0.00 0.00 175.10 175.63 1nwb s VAL 71 N -1.65 0.11 -0.04 2.92 -7.23 -0.77 0.19 120.40 113.93 1nwb s VAL 71 Ca -0.14 -0.91 -0.04 0.00 -1.81 0.00 0.00 61.98 59.09 1nwb s VAL 71 Cb -0.08 -0.95 0.01 0.00 0.56 0.00 0.00 36.38 35.93 1nwb s VAL 71 CO -0.01 -0.50 0.11 -0.63 -0.31 0.00 0.00 175.10 173.77 1nwb s ILE 72 N -2.67 0.00 1.01 -0.62 1.09 -1.21 -2.10 121.20 116.69 1nwb s ILE 72 Ca -0.04 -0.00 -0.11 0.00 -1.10 0.00 0.00 60.65 59.39 1nwb s ILE 72 Cb -0.01 -0.17 0.20 0.00 -1.06 0.00 0.00 42.46 41.43 1nwb s ILE 72 CO -0.04 -0.00 1.11 -0.62 -0.10 0.00 0.00 174.94 175.28 1nwb s ASP 73 N 0.05 2.17 0.23 3.58 2.15 -1.26 -3.36 116.67 120.23 1nwb s ASP 73 Ca -0.00 1.99 0.10 0.00 0.43 0.00 0.00 52.55 55.07 1nwb s ASP 73 Cb -0.01 -2.50 0.20 0.00 -0.30 0.00 0.00 42.92 40.31 1nwb s ASP 73 CO 0.00 -3.54 1.51 1.55 -0.17 0.00 0.00 175.17 174.52 1nwb h PRO 74 N -2.17 0.00 0.00 4.34 0.13 -1.99 -2.41 132.00 129.90 1nwb h PRO 74 Ca -0.49 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 1nwb h PRO 74 Cb 1.29 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 1nwb h PRO 74 CO 0.44 0.71 -0.09 0.35 -0.23 0.00 0.00 178.00 179.18 1nwb h PHE 75 N 0.00 0.00 0.00 1.56 3.57 -2.00 -3.13 116.94 116.94 1nwb h PHE 75 Ca -0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1nwb h PHE 75 Cb 1.30 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.04 1nwb h PHE 75 CO 0.00 0.03 -0.78 1.03 -2.23 0.00 0.00 178.31 176.37 1nwb h SER 76 N 0.00 0.00 -0.16 0.41 0.87 -1.89 -3.36 113.55 109.42 1nwb h SER 76 Ca -0.00 -0.08 0.04 0.00 -1.23 0.00 0.00 61.79 60.51 1nwb h SER 76 Cb 1.03 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.95 1nwb h SER 76 CO 0.00 0.04 -0.08 -0.03 -0.53 0.00 0.00 176.83 176.24 1nwb h MET 77 N 0.00 -0.06 0.00 2.24 -1.53 -1.37 0.45 114.93 114.66 1nwb h MET 77 Ca 0.00 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.26 1nwb h MET 77 Cb 0.90 0.01 0.00 0.00 -0.55 0.00 0.00 31.60 31.97 1nwb h MET 77 CO 0.00 -0.04 0.00 -0.35 0.14 0.00 0.00 176.91 176.66 1nwb n PRO 78 N -5.23 0.75 -0.07 0.39 -0.04 -1.26 -1.56 135.00 127.99 1nwb n PRO 78 Ca -0.03 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.34 1nwb n PRO 78 Cb 0.15 -1.28 -0.08 0.00 -0.04 0.00 0.00 33.50 32.24 1nwb n PRO 78 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1nwb n TYR 79 N -0.78 0.00 -2.58 0.54 4.19 0.31 -4.68 117.16 114.16 1nwb n TYR 79 Ca 0.10 0.00 -0.21 0.00 3.31 0.00 0.00 57.90 61.10 1nwb n TYR 79 Cb 0.05 -0.62 0.01 0.00 0.49 0.00 0.00 39.34 39.26 1nwb n TYR 79 CO 0.00 0.00 0.00 1.33 0.91 0.00 0.00 176.86 179.10 1nwb n VAL 80 N -2.77 1.94 -3.65 2.97 0.24 0.13 -5.06 118.33 112.13 1nwb n VAL 80 Ca -0.25 -4.41 -0.37 0.00 -2.04 0.00 0.00 64.34 57.27 1nwb n VAL 80 Cb 0.84 -0.68 -0.07 0.00 -1.47 0.00 0.00 33.84 32.47 1nwb n VAL 80 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1nwb s ASN 81 N -3.38 6.46 -1.06 -1.34 3.84 -0.60 -4.47 114.94 114.38 1nwb s ASN 81 Ca 0.42 0.54 -0.18 0.00 0.21 0.00 0.00 52.86 53.85 1nwb s ASN 81 Cb 0.41 -2.15 0.00 0.00 -0.55 0.00 0.00 41.25 38.96 1nwb s ASN 81 CO -0.12 0.24 0.74 0.61 -2.79 0.00 0.00 177.10 175.78 1nwb n GLY 82 N 2.74 -1.05 3.63 1.21 0.00 -1.17 -4.98 105.19 105.58 1nwb n GLY 82 Ca -0.15 0.47 -0.12 0.00 0.00 0.00 0.00 46.02 46.21 1nwb n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nwb n ALA 83 N -3.82 -1.01 -2.80 4.61 0.00 -1.26 -4.84 120.51 111.39 1nwb n ALA 83 Ca -0.12 -1.50 -0.15 0.00 0.00 0.00 0.00 53.44 51.67 1nwb n ALA 83 Cb 0.59 1.20 -0.13 0.00 0.00 0.00 0.00 19.45 21.12 1nwb n ALA 83 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1nwb s GLU 84 N -2.49 0.45 -0.15 0.00 -1.05 -1.26 -2.53 118.70 111.67 1nwb s GLU 84 Ca 0.24 -0.41 -0.00 0.00 -0.15 0.00 0.00 54.97 54.65 1nwb s GLU 84 Cb -0.03 -0.34 0.04 0.00 -0.44 0.00 0.00 34.13 33.36 1nwb s GLU 84 CO 0.17 0.08 -0.06 -1.17 0.95 0.00 0.00 175.26 175.23 1nwb s LEU 85 N -0.70 1.51 -0.49 1.83 2.96 -1.23 -2.70 118.68 119.86 1nwb s LEU 85 Ca -0.03 -0.57 -0.18 0.00 -0.22 0.00 0.00 54.13 53.14 1nwb s LEU 85 Cb -0.05 -0.91 0.06 0.00 0.50 0.00 0.00 46.19 45.79 1nwb s LEU 85 CO 0.00 -0.16 0.55 1.51 -1.32 0.00 0.00 176.35 176.93 1nwb s ASP 86 N 1.64 6.20 -0.16 3.68 -4.77 0.62 -3.84 116.67 120.04 1nwb s ASP 86 Ca 0.02 -1.01 -0.24 0.00 -3.30 0.00 0.00 52.55 48.02 1nwb s ASP 86 Cb -0.14 -2.26 -0.02 0.00 -1.09 0.00 0.00 42.92 39.41 1nwb s ASP 86 CO -0.08 -0.80 0.78 -0.47 0.70 0.00 0.00 175.17 175.30 1nwb s TYR 87 N 2.32 3.44 0.05 2.11 5.04 -1.26 -2.70 117.35 126.35 1nwb s TYR 87 Ca 0.12 1.20 -0.01 0.00 -2.44 0.00 0.00 57.07 55.94 1nwb s TYR 87 Cb -0.20 -2.95 -0.04 0.00 0.35 0.00 0.00 41.96 39.12 1nwb s TYR 87 CO 0.11 -0.18 0.23 0.08 -1.34 0.00 0.00 175.55 174.45 1nwb s VAL 88 N 1.89 5.37 -0.27 3.14 1.01 0.52 -3.92 120.40 128.14 1nwb s VAL 88 Ca 0.37 -0.27 -0.00 0.00 0.00 0.00 0.00 61.98 62.07 1nwb s VAL 88 Cb -0.17 -3.61 0.08 0.00 0.00 0.00 0.00 36.38 32.69 1nwb s VAL 88 CO 0.13 0.17 0.04 -0.69 0.00 0.00 0.00 175.10 174.76 1nwb s VAL 89 N -1.48 1.15 0.00 2.92 1.01 -1.26 0.21 120.40 122.95 1nwb s VAL 89 Ca 0.34 -1.31 0.00 0.00 0.00 0.00 0.00 61.98 61.01 1nwb s VAL 89 Cb -0.13 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.55 1nwb s VAL 89 CO 0.25 -0.43 0.00 0.47 0.00 0.00 0.00 175.10 175.40 1nwb n ASP 90 N 4.77 0.22 0.14 3.32 8.00 -1.26 -4.91 116.55 126.82 1nwb n ASP 90 Ca -0.05 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.53 1nwb n ASP 90 Cb 0.43 0.00 0.45 0.00 -0.02 0.00 0.00 41.12 41.99 1nwb n ASP 90 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1nwb n PHE 91 N 0.00 0.56 0.77 1.24 7.35 -1.26 -0.38 117.46 125.73 1nwb n PHE 91 Ca 0.00 0.29 0.03 0.00 -0.76 0.00 0.00 57.45 57.01 1nwb n PHE 91 Cb 0.00 -0.92 0.12 0.00 0.35 0.00 0.00 39.48 39.02 1nwb n PHE 91 CO 0.00 0.00 0.00 -1.33 -0.76 0.00 0.00 176.76 174.67 1nwb n MET 92 N -2.09 1.93 -1.81 -4.13 2.81 -1.26 -4.85 117.12 107.72 1nwb n MET 92 Ca -0.01 -0.92 -0.05 0.00 -1.81 0.00 0.00 57.70 54.91 1nwb n MET 92 Cb 0.09 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.08 1nwb n MET 92 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1nwb n GLY 93 N 0.48 -0.03 0.00 3.03 0.00 0.48 -3.93 105.19 105.22 1nwb n GLY 93 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1nwb n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nwb n GLY 94 N -0.35 0.90 3.63 -0.02 0.00 -1.25 -4.92 105.19 103.18 1nwb n GLY 94 Ca -0.05 -0.44 -0.43 0.00 0.00 0.00 0.00 46.02 45.10 1nwb n GLY 94 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nwb s GLY 95 N 0.00 1.45 0.29 -0.02 0.00 0.56 -4.84 107.32 104.76 1nwb s GLY 95 Ca 0.00 -0.17 -0.25 0.00 0.00 0.00 0.00 44.72 44.30 1nwb s GLY 95 CO 0.00 2.35 0.89 -0.11 0.00 0.00 0.00 173.10 176.23 1nwb s PHE 96 N 3.99 3.72 -0.27 1.90 -0.12 -1.26 0.20 117.98 126.14 1nwb s PHE 96 Ca 0.47 1.71 -0.23 0.00 -0.05 0.00 0.00 56.93 58.84 1nwb s PHE 96 Cb -0.11 -2.86 0.07 0.00 -0.63 0.00 0.00 43.02 39.49 1nwb s PHE 96 CO 0.21 0.27 0.70 0.99 -0.05 0.00 0.00 175.22 177.34 1nwb s THR 97 N -1.54 -0.00 -0.02 -4.49 2.01 -1.10 -4.89 115.64 105.61 1nwb s THR 97 Ca 0.47 0.00 0.07 0.00 0.31 0.00 0.00 61.69 62.54 1nwb s THR 97 Cb -0.19 -0.98 -0.02 0.00 0.01 0.00 0.00 72.50 71.33 1nwb s THR 97 CO 0.24 0.00 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.32 1nwb s ILE 98 N 0.59 1.75 -0.35 1.82 1.01 -1.26 -0.28 121.20 124.48 1nwb s ILE 98 Ca -0.02 -0.95 0.02 0.00 0.00 0.00 0.00 60.65 59.70 1nwb s ILE 98 Cb -0.05 -1.46 0.11 0.00 0.01 0.00 0.00 42.46 41.07 1nwb s ILE 98 CO -0.03 0.50 0.11 -0.13 0.00 0.00 0.00 174.94 175.39 1nwb s ARG 99 N -0.48 1.12 0.31 2.79 0.52 -1.10 -4.95 118.95 117.17 1nwb s ARG 99 Ca 0.07 -1.57 -0.29 0.00 -0.52 0.00 0.00 55.73 53.42 1nwb s ARG 99 Cb -0.09 -2.52 -0.12 0.00 0.52 0.00 0.00 34.95 32.74 1nwb s ARG 99 CO -0.00 -1.01 1.40 -1.71 0.02 0.00 0.00 175.30 174.00 1nwb n ASN 100 N 4.35 3.05 0.00 0.23 2.85 -1.26 -4.30 115.26 120.19 1nwb n ASN 100 Ca 0.02 1.18 0.12 0.00 -0.11 0.00 0.00 54.58 55.79 1nwb n ASN 100 Cb 0.40 -1.50 0.71 0.00 1.24 0.00 0.00 39.78 40.63 1nwb n ASN 100 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34