#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 0.60 0.05 0.03 0.74 -1.26 -5.17 119.66 114.65 1nwb s GLN 2 Ca 0.00 1.20 -0.12 0.00 0.05 0.00 0.00 55.36 56.49 1nwb s GLN 2 Cb 0.00 0.40 0.01 0.00 1.10 0.00 0.00 33.01 34.52 1nwb s GLN 2 CO 0.00 -0.15 0.27 -2.00 -0.55 0.00 0.00 175.29 172.85 1nwb s GLU 3 N 2.08 0.80 -1.24 1.67 2.12 -1.26 -5.07 118.70 117.79 1nwb s GLU 3 Ca -0.08 -0.60 -0.20 0.00 0.36 0.00 0.00 54.97 54.45 1nwb s GLU 3 Cb -0.07 0.34 -0.00 0.00 0.26 0.00 0.00 34.13 34.65 1nwb s GLU 3 CO -0.19 -0.25 1.85 0.94 -0.54 0.00 0.00 175.26 177.07 1nwb n GLN 4 N 0.49 2.48 -1.56 4.30 -0.06 -1.26 -4.94 117.38 116.82 1nwb n GLN 4 Ca -0.18 -2.87 -0.30 0.00 -2.00 0.00 0.00 57.00 51.66 1nwb n GLN 4 Cb 0.60 -3.56 0.10 0.00 -4.06 0.00 0.00 30.24 23.32 1nwb n GLN 4 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1nwb s ALA 5 N 6.92 2.12 0.27 1.69 0.00 -1.26 -4.84 121.76 126.66 1nwb s ALA 5 Ca 0.59 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.24 1nwb s ALA 5 Cb 0.03 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 20.07 1nwb s ALA 5 CO 0.10 -1.89 0.00 0.94 0.00 0.00 0.00 175.76 174.90 1nwb n GLN 6 N -3.53 -3.13 -4.04 0.00 7.27 -1.26 -4.97 117.38 107.73 1nwb n GLN 6 Ca 0.07 2.28 -0.31 0.00 0.07 0.00 0.00 57.00 59.11 1nwb n GLN 6 Cb 0.57 -2.53 -0.15 0.00 2.41 0.00 0.00 30.24 30.54 1nwb n GLN 6 CO 0.00 0.00 0.00 1.14 0.07 0.00 0.00 177.06 178.27 1nwb s GLN 7 N -3.47 2.17 0.65 3.69 -2.07 -1.26 -4.80 119.66 114.57 1nwb s GLN 7 Ca 0.00 -1.12 -0.14 0.00 -1.82 0.00 0.00 55.36 52.28 1nwb s GLN 7 Cb 0.00 -2.70 -0.01 0.00 -1.09 0.00 0.00 33.01 29.22 1nwb s GLN 7 CO 0.00 -0.50 1.08 -0.59 -1.32 0.00 0.00 175.29 173.96 1nwb s PHE 8 N 1.24 2.84 0.12 9.60 -0.71 -1.26 -5.02 117.98 124.78 1nwb s PHE 8 Ca -0.05 1.52 -0.24 0.00 -1.04 0.00 0.00 56.93 57.12 1nwb s PHE 8 Cb -0.18 -3.05 -0.07 0.00 -1.21 0.00 0.00 43.02 38.51 1nwb s PHE 8 CO -0.07 -1.40 0.72 0.42 -1.34 0.00 0.00 175.22 173.55 1nwb s ILE 9 N -2.56 4.54 -0.12 -4.49 -1.09 -1.26 -5.03 121.20 111.18 1nwb s ILE 9 Ca 0.64 1.57 -0.27 0.00 -2.23 0.00 0.00 60.65 60.35 1nwb s ILE 9 Cb -0.17 -4.07 0.07 0.00 -1.58 0.00 0.00 42.46 36.70 1nwb s ILE 9 CO 0.43 0.50 0.66 0.12 -1.23 0.00 0.00 174.94 175.42 1nwb s PHE 10 N -0.90 -0.66 -0.12 3.97 5.36 -1.26 -2.41 117.98 121.96 1nwb s PHE 10 Ca 0.35 1.33 -0.01 0.00 -0.96 0.00 0.00 56.93 57.63 1nwb s PHE 10 Cb -0.22 0.33 0.04 0.00 -0.34 0.00 0.00 43.02 42.83 1nwb s PHE 10 CO 0.24 -0.50 -0.01 0.15 -1.46 0.00 0.00 175.22 173.63 1nwb s LYS 11 N -0.63 0.87 -0.05 10.12 -0.14 -0.92 -4.95 119.74 124.03 1nwb s LYS 11 Ca -0.07 -0.17 0.02 0.00 -1.36 0.00 0.00 55.97 54.40 1nwb s LYS 11 Cb -0.02 -1.50 0.01 0.00 -1.68 0.00 0.00 37.83 34.64 1nwb s LYS 11 CO 0.06 -0.40 -0.11 0.54 -0.76 0.00 0.00 175.35 174.68 1nwb s VAL 12 N 1.86 0.96 1.17 3.17 0.11 -1.26 -1.49 120.40 124.93 1nwb s VAL 12 Ca 0.03 -0.41 -0.13 0.00 -2.93 0.00 0.00 61.98 58.53 1nwb s VAL 12 Cb -0.14 -0.88 0.28 0.00 -1.53 0.00 0.00 36.38 34.11 1nwb s VAL 12 CO -0.07 0.31 0.95 0.35 -3.33 0.00 0.00 175.10 173.31 1nwb n THR 13 N 3.60 0.00 0.21 5.04 -2.24 -1.14 -4.77 114.28 114.97 1nwb n THR 13 Ca -0.21 -0.44 0.06 0.00 -2.27 0.00 0.00 64.05 61.19 1nwb n THR 13 Cb 0.52 -0.97 0.44 0.00 -2.10 0.00 0.00 70.33 68.23 1nwb n THR 13 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1nwb h ASP 14 N -2.65 0.00 -0.23 3.42 3.32 -1.99 -2.44 116.42 115.84 1nwb h ASP 14 Ca -0.61 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.41 1nwb h ASP 14 Cb 1.33 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.88 1nwb h ASP 14 CO 0.48 0.31 0.02 0.50 -1.72 0.00 0.00 179.24 178.83 1nwb h LYS 15 N 0.00 0.40 0.02 3.56 3.64 -1.90 0.53 116.57 122.82 1nwb h LYS 15 Ca -0.00 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1nwb h LYS 15 Cb 0.67 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1nwb h LYS 15 CO 0.04 0.56 -0.02 0.00 -2.27 0.00 0.00 179.45 177.76 1nwb h ALA 16 N 0.83 -0.03 -0.53 5.00 0.00 -1.66 0.37 119.26 123.23 1nwb h ALA 16 Ca 0.07 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1nwb h ALA 16 Cb 0.36 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1nwb h ALA 16 CO 0.01 -0.52 0.32 0.28 0.00 0.00 0.00 179.25 179.34 1nwb h VAL 17 N -0.04 1.16 -0.83 0.00 2.07 -1.34 -2.20 116.25 115.06 1nwb h VAL 17 Ca 0.00 -0.35 0.03 0.00 0.82 0.00 0.00 66.70 67.20 1nwb h VAL 17 Cb 0.05 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 30.20 1nwb h VAL 17 CO -0.01 0.16 0.53 -0.33 0.02 0.00 0.00 177.57 177.94 1nwb h GLU 18 N 0.71 1.01 -0.53 1.57 5.08 0.52 -0.16 114.58 122.79 1nwb h GLU 18 Ca 0.19 -0.06 0.15 0.00 -1.00 0.00 0.00 59.36 58.64 1nwb h GLU 18 Cb -0.02 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 28.98 1nwb h GLU 18 CO -0.04 0.67 0.44 1.49 -1.00 0.00 0.00 179.01 180.57 1nwb h GLU 19 N 1.04 0.00 0.16 2.33 4.57 0.36 0.60 114.58 123.65 1nwb h GLU 19 Ca 0.33 0.00 -0.29 0.00 -1.18 0.00 0.00 59.36 58.22 1nwb h GLU 19 Cb 0.00 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 28.61 1nwb h GLU 19 CO -0.11 0.00 -1.31 0.82 -1.18 0.00 0.00 179.01 177.23 1nwb h ILE 20 N 0.00 1.42 0.20 2.32 1.08 -0.88 -2.36 117.51 119.29 1nwb h ILE 20 Ca 0.25 -2.90 -0.01 0.00 -0.39 0.00 0.00 64.86 61.81 1nwb h ILE 20 Cb 1.14 2.94 0.00 0.00 -3.07 0.00 0.00 36.82 37.83 1nwb h ILE 20 CO -0.00 0.85 -0.10 0.11 -0.69 0.00 0.00 178.15 178.33 1nwb h LYS 21 N 0.11 -0.26 -0.87 2.37 1.57 0.30 0.22 116.57 120.01 1nwb h LYS 21 Ca -0.17 0.02 0.11 0.00 -1.87 0.00 0.00 60.65 58.73 1nwb h LYS 21 Cb 2.02 0.06 -0.06 0.00 0.08 0.00 0.00 32.23 34.32 1nwb h LYS 21 CO 0.23 0.12 0.56 1.57 -0.57 0.00 0.00 179.45 181.36 1nwb h LYS 22 N -0.73 0.79 0.53 3.15 2.10 -0.18 1.27 116.57 123.50 1nwb h LYS 22 Ca -0.03 -0.05 -0.03 0.00 -2.00 0.00 0.00 60.65 58.55 1nwb h LYS 22 Cb 0.50 -0.18 0.01 0.00 -0.90 0.00 0.00 32.23 31.66 1nwb h LYS 22 CO 0.05 0.52 -0.25 0.28 -2.00 0.00 0.00 179.45 178.05 1nwb h VAL 23 N 0.82 0.00 -0.31 0.07 2.07 -1.32 -2.12 116.25 115.46 1nwb h VAL 23 Ca 0.41 -0.32 0.07 0.00 0.82 0.00 0.00 66.70 67.68 1nwb h VAL 23 Cb 0.48 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.19 1nwb h VAL 23 CO -0.18 0.00 -0.13 0.00 0.02 0.00 0.00 177.57 177.28 1nwb h ALA 24 N -1.36 0.13 -1.04 1.67 0.00 -0.13 0.24 119.26 118.76 1nwb h ALA 24 Ca -0.07 0.12 0.28 0.00 0.00 0.00 0.00 54.91 55.23 1nwb h ALA 24 Cb 0.54 0.32 -0.11 0.00 0.00 0.00 0.00 17.79 18.54 1nwb h ALA 24 CO 0.12 -0.52 0.64 1.96 0.00 0.00 0.00 179.25 181.46 1nwb h GLN 25 N -0.08 0.42 0.00 0.00 4.20 0.16 2.02 115.11 121.84 1nwb h GLN 25 Ca 0.16 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.79 1nwb h GLN 25 Cb 0.31 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 1nwb h GLN 25 CO -0.36 0.28 -0.26 1.49 -0.67 0.00 0.00 178.83 179.31 1nwb h GLU 26 N 0.44 0.00 -0.02 1.46 4.22 -0.08 -3.01 114.58 117.58 1nwb h GLU 26 Ca 0.65 0.00 0.00 0.00 0.08 0.00 0.00 59.36 60.09 1nwb h GLU 26 Cb 1.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.75 1nwb h GLU 26 CO -0.41 0.23 -0.05 0.09 -2.18 0.00 0.00 179.01 176.70 1nwb n ASN 27 N -3.15 2.31 -2.10 1.04 5.03 0.49 -4.92 115.26 113.96 1nwb n ASN 27 Ca 0.03 -1.74 -0.20 0.00 0.87 0.00 0.00 54.58 53.54 1nwb n ASN 27 Cb 0.63 0.04 -0.03 0.00 -1.02 0.00 0.00 39.78 39.40 1nwb n ASN 27 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1nwb n ASN 28 N 0.74 -5.62 -4.88 6.41 2.85 0.57 -4.97 115.26 110.37 1nwb n ASN 28 Ca 0.15 0.09 -0.34 0.00 -0.11 0.00 0.00 54.58 54.38 1nwb n ASN 28 Cb 0.49 -4.69 -0.05 0.00 1.24 0.00 0.00 39.78 36.77 1nwb n ASN 28 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1nwb s ILE 29 N -2.93 5.33 -0.73 -1.44 1.01 -0.17 -4.99 121.20 117.28 1nwb s ILE 29 Ca 0.00 -0.12 0.07 0.00 0.00 0.00 0.00 60.65 60.59 1nwb s ILE 29 Cb 0.00 -3.44 0.11 0.00 0.01 0.00 0.00 42.46 39.14 1nwb s ILE 29 CO 0.00 0.39 0.91 1.21 0.00 0.00 0.00 174.94 177.45 1nwb n GLU 30 N 1.21 1.25 -3.07 2.79 2.13 -1.26 -4.15 120.64 119.54 1nwb n GLU 30 Ca -0.13 -1.31 -0.19 0.00 0.66 0.00 0.00 57.16 56.18 1nwb n GLU 30 Cb 0.53 -1.15 -0.03 0.00 0.27 0.00 0.00 31.44 31.06 1nwb n GLU 30 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1nwb n ASN 31 N 0.27 -0.60 -4.69 4.31 2.85 -1.26 -4.80 115.26 111.33 1nwb n ASN 31 Ca 0.05 -2.89 -0.42 0.00 -0.11 0.00 0.00 54.58 51.21 1nwb n ASN 31 Cb 0.25 0.03 -0.03 0.00 1.24 0.00 0.00 39.78 41.27 1nwb n ASN 31 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1nwb s PRO 32 N -0.76 4.35 -0.60 1.20 0.04 -1.26 -4.86 135.00 133.11 1nwb s PRO 32 Ca 0.34 1.70 -0.10 0.00 0.04 0.00 0.00 61.00 62.99 1nwb s PRO 32 Cb 0.20 -3.54 0.15 0.00 0.04 0.00 0.00 34.50 31.35 1nwb s PRO 32 CO -0.14 -0.44 0.48 0.42 0.04 0.00 0.00 177.00 177.36 1nwb s ILE 33 N 2.14 4.53 -0.37 0.56 1.09 -1.25 -2.53 121.20 125.38 1nwb s ILE 33 Ca 0.57 -2.20 -0.20 0.00 -1.10 0.00 0.00 60.65 57.72 1nwb s ILE 33 Cb -0.25 -3.92 0.00 0.00 -1.06 0.00 0.00 42.46 37.23 1nwb s ILE 33 CO 0.23 -0.87 0.62 -0.76 -0.10 0.00 0.00 174.94 174.06 1nwb s LEU 34 N 0.76 4.30 -0.18 2.97 2.01 -1.12 -2.45 118.68 124.98 1nwb s LEU 34 Ca 0.11 0.05 -0.09 0.00 0.01 0.00 0.00 54.13 54.21 1nwb s LEU 34 Cb -0.21 -2.75 -0.05 0.00 0.01 0.00 0.00 46.19 43.19 1nwb s LEU 34 CO -0.03 -0.60 0.14 -0.60 1.01 0.00 0.00 176.35 176.26 1nwb s ARG 35 N 2.68 4.02 -0.30 1.70 3.52 -1.23 -0.95 118.95 128.39 1nwb s ARG 35 Ca 0.23 -0.19 -0.22 0.00 -0.13 0.00 0.00 55.73 55.42 1nwb s ARG 35 Cb -0.15 -3.37 -0.00 0.00 -1.56 0.00 0.00 34.95 29.87 1nwb s ARG 35 CO 0.15 0.41 0.71 0.42 -0.81 0.00 0.00 175.30 176.18 1nwb s ILE 36 N 0.05 4.86 -0.19 4.11 -1.09 -0.59 -4.49 121.20 123.85 1nwb s ILE 36 Ca 0.10 1.04 0.00 0.00 -2.23 0.00 0.00 60.65 59.56 1nwb s ILE 36 Cb -0.11 -4.08 0.05 0.00 -1.58 0.00 0.00 42.46 36.74 1nwb s ILE 36 CO -0.00 -0.19 -0.07 -0.60 -1.23 0.00 0.00 174.94 172.85 1nwb s ARG 37 N 2.79 1.65 0.11 2.79 3.52 -1.26 -2.20 118.95 126.35 1nwb s ARG 37 Ca 0.29 -0.74 -0.35 0.00 -0.13 0.00 0.00 55.73 54.80 1nwb s ARG 37 Cb -0.15 -2.29 -0.17 0.00 -1.56 0.00 0.00 34.95 30.78 1nwb s ARG 37 CO 0.12 -0.48 1.14 0.28 -0.81 0.00 0.00 175.30 175.55 1nwb n VAL 38 N 4.77 0.52 -3.78 7.11 0.31 -1.26 -4.02 118.33 121.98 1nwb n VAL 38 Ca -0.13 -0.13 -0.28 0.00 -0.01 0.00 0.00 64.34 63.79 1nwb n VAL 38 Cb 0.46 -0.59 -0.12 0.00 -0.91 0.00 0.00 33.84 32.69 1nwb n VAL 38 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1nwb s VAL 39 N -0.02 2.20 -1.21 2.52 1.01 -0.98 -4.93 120.40 118.98 1nwb s VAL 39 Ca 0.80 -3.73 -0.20 0.00 0.00 0.00 0.00 61.98 58.85 1nwb s VAL 39 Cb -0.98 -2.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 1nwb s VAL 39 CO 0.52 -1.04 1.89 -0.81 0.00 0.00 0.00 175.10 175.66 1nwb n PRO 40 N 2.35 2.36 -3.57 2.72 -0.04 -1.26 -2.91 135.00 134.66 1nwb n PRO 40 Ca 0.20 -2.74 -0.14 0.00 -0.04 0.00 0.00 63.50 60.79 1nwb n PRO 40 Cb 0.38 -3.50 -0.06 0.00 -0.04 0.00 0.00 33.50 30.28 1nwb n PRO 40 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1nwb s GLY 41 N 5.05 -0.42 0.00 0.55 0.00 -1.26 -4.86 107.32 106.38 1nwb s GLY 41 Ca 0.59 1.81 0.00 0.00 0.00 0.00 0.00 44.72 47.12 1nwb s GLY 41 CO 0.09 1.19 0.00 0.61 0.00 0.00 0.00 173.10 174.99 1nwb n GLY 42 N 1.23 1.01 0.19 0.20 0.00 -1.26 -2.74 105.19 103.82 1nwb n GLY 42 Ca -0.15 -2.15 0.03 0.00 0.00 0.00 0.00 46.02 43.75 1nwb n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nwb n SER 44 N -4.12 1.75 0.00 0.00 2.88 -1.26 -5.07 113.62 107.79 1nwb n SER 44 Ca -0.02 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 1nwb n SER 44 Cb 0.39 -0.53 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 1nwb n SER 44 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1nwb n GLY 45 N 1.93 0.81 5.00 0.46 0.00 -1.11 -4.68 105.19 107.60 1nwb n GLY 45 Ca -0.39 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 44.96 1nwb n GLY 45 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1nwb n PHE 46 N 0.00 0.00 -0.71 1.61 7.35 -1.14 -4.86 117.46 119.71 1nwb n PHE 46 Ca 0.00 0.00 -0.30 0.00 -0.76 0.00 0.00 57.45 56.39 1nwb n PHE 46 Cb 0.00 0.00 0.19 0.00 0.35 0.00 0.00 39.48 40.02 1nwb n PHE 46 CO 0.00 0.00 0.00 1.14 -0.76 0.00 0.00 176.76 177.14 1nwb s GLN 47 N 0.00 0.42 0.03 -4.13 1.03 -1.26 -3.92 119.66 111.83 1nwb s GLN 47 Ca 0.00 1.24 0.08 0.00 0.04 0.00 0.00 55.36 56.72 1nwb s GLN 47 Cb 0.00 -1.68 -0.03 0.00 0.03 0.00 0.00 33.01 31.33 1nwb s GLN 47 CO 0.00 -2.94 -0.23 1.52 -2.54 0.00 0.00 175.29 171.10 1nwb s TYR 48 N -2.62 2.41 0.51 9.60 -0.85 -1.26 -2.33 117.35 122.81 1nwb s TYR 48 Ca 0.67 -0.36 -0.08 0.00 -0.52 0.00 0.00 57.07 56.78 1nwb s TYR 48 Cb -0.23 -1.43 -0.04 0.00 0.38 0.00 0.00 41.96 40.64 1nwb s TYR 48 CO 0.60 0.15 0.86 0.00 -1.52 0.00 0.00 175.55 175.64 1nwb s ALA 49 N -0.82 3.30 0.23 9.51 0.00 -1.26 -4.88 121.76 127.84 1nwb s ALA 49 Ca 0.12 -0.32 0.06 0.00 0.00 0.00 0.00 51.96 51.82 1nwb s ALA 49 Cb -0.10 -2.76 -0.03 0.00 0.00 0.00 0.00 23.12 20.23 1nwb s ALA 49 CO 0.03 -0.39 0.25 -1.64 0.00 0.00 0.00 175.76 174.01 1nwb s MET 50 N -4.71 3.14 0.00 0.00 -1.94 -1.26 -4.29 119.30 110.24 1nwb s MET 50 Ca 0.50 -0.90 0.00 0.00 -1.71 0.00 0.00 55.69 53.58 1nwb s MET 50 Cb -0.10 -2.71 0.00 0.00 2.01 0.00 0.00 34.83 34.02 1nwb s MET 50 CO 0.45 0.43 0.00 0.41 -0.01 0.00 0.00 175.02 176.30 1nwb n GLY 51 N -1.14 1.44 3.72 -0.03 0.00 -1.26 -5.05 105.19 102.86 1nwb n GLY 51 Ca -0.08 0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1nwb n GLY 51 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1nwb s PHE 52 N -0.73 3.69 0.51 1.61 -0.12 -1.26 -3.50 117.98 118.19 1nwb s PHE 52 Ca 0.00 1.67 0.09 0.00 -0.05 0.00 0.00 56.93 58.64 1nwb s PHE 52 Cb 0.00 -3.07 0.05 0.00 -0.63 0.00 0.00 43.02 39.37 1nwb s PHE 52 CO 0.00 0.06 0.66 0.34 -0.05 0.00 0.00 175.22 176.23 1nwb s ASP 53 N 0.74 5.25 0.21 1.98 2.15 -1.03 -4.99 116.67 120.98 1nwb s ASP 53 Ca 0.49 -0.73 -0.10 0.00 0.43 0.00 0.00 52.55 52.65 1nwb s ASP 53 Cb -0.21 -0.07 0.21 0.00 -0.30 0.00 0.00 42.92 42.55 1nwb s ASP 53 CO 0.27 -1.08 1.82 0.44 -0.17 0.00 0.00 175.17 176.45 1nwb h ASP 54 N 0.43 0.61 -2.52 -0.34 3.32 -1.97 -3.43 116.42 112.53 1nwb h ASP 54 Ca -0.34 0.02 0.06 0.00 0.02 0.00 0.00 57.03 56.78 1nwb h ASP 54 Cb 1.29 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 1nwb h ASP 54 CO 0.44 0.41 0.38 1.07 -1.72 0.00 0.00 179.24 179.83 1nwb n THR 55 N -4.74 0.00 -2.17 0.35 5.66 -1.26 -5.04 114.28 107.09 1nwb n THR 55 Ca 0.08 -0.68 -0.32 0.00 -3.05 0.00 0.00 64.05 60.08 1nwb n THR 55 Cb 0.14 0.77 -0.01 0.00 -1.55 0.00 0.00 70.33 69.68 1nwb n THR 55 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1nwb s VAL 56 N -2.17 4.44 0.79 1.08 0.11 -1.26 -5.02 120.40 118.38 1nwb s VAL 56 Ca 0.17 1.05 -0.10 0.00 -2.93 0.00 0.00 61.98 60.17 1nwb s VAL 56 Cb -0.03 -3.69 0.08 0.00 -1.53 0.00 0.00 36.38 31.21 1nwb s VAL 56 CO 0.08 -0.79 1.14 -1.61 -3.33 0.00 0.00 175.10 170.58 1nwb s GLU 57 N -4.40 1.94 -0.08 1.54 2.02 -1.26 -4.94 118.70 113.52 1nwb s GLU 57 Ca 0.59 -0.05 0.03 0.00 0.02 0.00 0.00 54.97 55.56 1nwb s GLU 57 Cb -0.11 -2.01 0.22 0.00 0.10 0.00 0.00 34.13 32.33 1nwb s GLU 57 CO 0.39 -1.54 0.91 -1.91 0.02 0.00 0.00 175.26 173.13 1nwb n GLU 58 N -3.22 1.98 -2.66 1.61 4.07 -1.26 -3.95 120.64 117.20 1nwb n GLU 58 Ca 0.09 -0.87 -0.03 0.00 -0.06 0.00 0.00 57.16 56.28 1nwb n GLU 58 Cb 0.61 -1.66 0.04 0.00 -0.06 0.00 0.00 31.44 30.38 1nwb n GLU 58 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1nwb n GLY 59 N 0.15 -1.13 3.33 8.31 0.00 -1.26 -5.04 105.19 109.56 1nwb n GLY 59 Ca 0.09 0.40 -0.30 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.16 3.11 -0.84 1.61 -1.08 -1.25 -4.79 116.67 113.27 1nwb s ASP 60 Ca 0.11 -0.55 -0.25 0.00 -0.52 0.00 0.00 52.55 51.34 1nwb s ASP 60 Cb 0.17 -0.30 -0.09 0.00 -1.46 0.00 0.00 42.92 41.23 1nwb s ASP 60 CO -0.10 0.28 2.18 -1.00 0.52 0.00 0.00 175.17 177.05 1nwb s HIS 61 N -0.74 1.46 -0.38 -5.34 3.76 -1.24 -4.88 115.29 107.92 1nwb s HIS 61 Ca 0.11 1.33 -0.29 0.00 -0.15 0.00 0.00 55.06 56.06 1nwb s HIS 61 Cb -0.10 -3.73 0.01 0.00 1.11 0.00 0.00 32.58 29.87 1nwb s HIS 61 CO 0.01 -1.68 1.37 0.54 -0.85 0.00 0.00 174.74 174.14 1nwb s VAL 62 N 12.47 3.98 -0.10 -0.90 0.11 -1.26 -3.90 120.40 130.80 1nwb s VAL 62 Ca 0.82 1.03 0.03 0.00 -2.93 0.00 0.00 61.98 60.93 1nwb s VAL 62 Cb -0.10 -4.20 -0.01 0.00 -1.53 0.00 0.00 36.38 30.54 1nwb s VAL 62 CO 0.04 -0.68 -0.20 0.12 -3.33 0.00 0.00 175.10 171.05 1nwb s PHE 63 N 5.09 2.62 -0.06 1.54 5.36 -0.06 -4.92 117.98 127.56 1nwb s PHE 63 Ca 0.59 -0.80 -0.28 0.00 -0.96 0.00 0.00 56.93 55.48 1nwb s PHE 63 Cb -0.14 -1.73 -0.03 0.00 -0.34 0.00 0.00 43.02 40.78 1nwb s PHE 63 CO 0.30 -0.28 0.90 -1.21 -1.46 0.00 0.00 175.22 173.47 1nwb s GLU 64 N 0.18 4.47 0.00 10.12 2.02 -1.26 -1.88 118.70 132.35 1nwb s GLU 64 Ca -0.12 1.24 0.00 0.00 0.02 0.00 0.00 54.97 56.11 1nwb s GLU 64 Cb -0.16 -3.49 0.00 0.00 0.10 0.00 0.00 34.13 30.58 1nwb s GLU 64 CO 0.06 -0.11 0.00 0.66 0.02 0.00 0.00 175.26 175.90 1nwb n TYR 65 N 4.24 0.00 -1.10 1.61 4.01 -0.28 -4.98 117.16 120.66 1nwb n TYR 65 Ca 0.05 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.39 1nwb n TYR 65 Cb 0.50 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.45 1nwb n TYR 65 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1nwb n ASP 66 N -0.66 2.04 -2.36 7.72 -0.08 -1.26 -3.40 116.55 118.55 1nwb n ASP 66 Ca 0.00 -2.61 -0.15 0.00 -1.51 0.00 0.00 54.79 50.52 1nwb n ASP 66 Cb 0.00 -1.05 0.05 0.00 2.34 0.00 0.00 41.12 42.46 1nwb n ASP 66 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1nwb n GLY 67 N 4.95 0.02 3.25 0.27 0.00 -1.26 -5.02 105.19 107.41 1nwb n GLY 67 Ca 0.48 -0.11 -0.10 0.00 0.00 0.00 0.00 46.02 46.28 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 -3.17 0.10 -0.29 1.61 1.01 -1.22 -4.79 120.40 113.66 1nwb s VAL 68 Ca 0.35 -0.85 -0.00 0.00 0.00 0.00 0.00 61.98 61.47 1nwb s VAL 68 Cb -0.15 -1.18 0.05 0.00 0.00 0.00 0.00 36.38 35.10 1nwb s VAL 68 CO 0.43 -0.47 -0.03 -0.75 0.00 0.00 0.00 175.10 174.28 1nwb s LYS 69 N -3.51 2.37 0.02 2.72 2.20 -1.05 -1.12 119.74 121.37 1nwb s LYS 69 Ca 0.02 -1.29 -0.00 0.00 -0.36 0.00 0.00 55.97 54.33 1nwb s LYS 69 Cb 0.02 -3.10 -0.04 0.00 -1.51 0.00 0.00 37.83 33.21 1nwb s LYS 69 CO -0.09 -0.61 0.14 0.08 -0.36 0.00 0.00 175.35 174.50 1nwb s VAL 70 N 1.21 5.03 0.06 4.02 1.01 -0.79 -2.78 120.40 128.16 1nwb s VAL 70 Ca -0.06 -0.40 -0.06 0.00 0.00 0.00 0.00 61.98 61.45 1nwb s VAL 70 Cb -0.20 -3.37 -0.01 0.00 0.00 0.00 0.00 36.38 32.80 1nwb s VAL 70 CO -0.02 0.26 0.12 0.68 0.00 0.00 0.00 175.10 176.13 1nwb s VAL 71 N -1.33 0.16 -0.07 2.92 -7.23 -0.13 -0.88 120.40 113.84 1nwb s VAL 71 Ca 0.28 -1.28 -0.07 0.00 -1.81 0.00 0.00 61.98 59.10 1nwb s VAL 71 Cb -0.12 -1.25 0.02 0.00 0.56 0.00 0.00 36.38 35.59 1nwb s VAL 71 CO 0.20 -0.71 0.19 -0.63 -0.31 0.00 0.00 175.10 173.84 1nwb s ILE 72 N -3.49 0.00 0.77 -0.62 1.01 -1.25 -1.55 121.20 116.08 1nwb s ILE 72 Ca 0.02 -0.03 -0.14 0.00 0.00 0.00 0.00 60.65 60.51 1nwb s ILE 72 Cb 0.04 -0.29 0.06 0.00 0.01 0.00 0.00 42.46 42.29 1nwb s ILE 72 CO -0.09 -0.02 1.21 -0.62 0.00 0.00 0.00 174.94 175.43 1nwb s ASP 73 N 0.04 3.84 0.48 3.58 2.15 -0.93 -3.65 116.67 122.17 1nwb s ASP 73 Ca -0.01 2.38 0.28 0.00 0.43 0.00 0.00 52.55 55.64 1nwb s ASP 73 Cb -0.02 -2.59 0.87 0.00 -0.30 0.00 0.00 42.92 40.88 1nwb s ASP 73 CO 0.00 -2.51 1.80 1.55 -0.17 0.00 0.00 175.17 175.85 1nwb h PRO 74 N -0.63 0.00 0.00 4.34 0.13 -1.91 -0.28 132.00 133.65 1nwb h PRO 74 Ca -0.47 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.42 1nwb h PRO 74 Cb 1.30 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.39 1nwb h PRO 74 CO 0.48 0.00 -1.42 0.74 -0.23 0.00 0.00 178.00 177.57 1nwb h PHE 75 N 0.00 0.00 0.00 1.56 0.04 -1.96 -3.32 116.94 113.26 1nwb h PHE 75 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1nwb h PHE 75 Cb 0.74 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.89 1nwb h PHE 75 CO 0.00 0.88 -0.90 0.66 -0.60 0.00 0.00 178.31 178.35 1nwb h SER 76 N 0.00 0.00 -0.38 2.17 4.64 -1.85 -3.36 113.55 114.77 1nwb h SER 76 Ca -0.18 -0.09 0.05 0.00 -0.47 0.00 0.00 61.79 61.10 1nwb h SER 76 Cb 1.83 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.88 1nwb h SER 76 CO 0.08 0.05 0.10 -0.03 -0.87 0.00 0.00 176.83 176.16 1nwb h MET 77 N 0.00 0.23 0.00 4.77 -1.53 -1.14 0.16 114.93 117.41 1nwb h MET 77 Ca 0.00 -0.01 0.00 0.00 -3.44 0.00 0.00 59.70 56.25 1nwb h MET 77 Cb 0.91 -0.05 0.00 0.00 -0.55 0.00 0.00 31.60 31.91 1nwb h MET 77 CO 0.00 0.15 0.00 -0.35 0.14 0.00 0.00 176.91 176.85 1nwb n PRO 78 N -5.06 0.75 0.00 0.39 -0.04 -1.26 -1.44 135.00 128.34 1nwb n PRO 78 Ca 0.02 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.57 1nwb n PRO 78 Cb 0.16 -1.30 0.05 0.00 -0.04 0.00 0.00 33.50 32.36 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 -0.80 0.00 -2.59 0.54 9.36 0.53 -4.52 117.16 119.68 1nwb n TYR 79 Ca 0.11 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.30 1nwb n TYR 79 Cb 0.05 0.00 0.10 0.00 -0.63 0.00 0.00 39.34 38.86 1nwb n TYR 79 CO 0.00 0.00 0.00 1.33 0.22 0.00 0.00 176.86 178.41 1nwb n VAL 80 N 0.58 0.00 -1.44 2.97 0.24 -0.88 -5.02 118.33 114.79 1nwb n VAL 80 Ca 0.09 -0.87 -0.58 0.00 -2.04 0.00 0.00 64.34 60.94 1nwb n VAL 80 Cb 0.42 0.94 -0.10 0.00 -1.47 0.00 0.00 33.84 33.63 1nwb n VAL 80 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1nwb n ASN 81 N -1.36 1.46 -2.08 -1.34 6.94 -0.52 0.93 115.26 119.28 1nwb n ASN 81 Ca -0.19 0.72 -0.02 0.00 -0.02 0.00 0.00 54.58 55.07 1nwb n ASN 81 Cb 0.86 -1.04 -0.00 0.00 -2.36 0.00 0.00 39.78 37.23 1nwb n ASN 81 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1nwb n GLY 82 N 6.31 -0.31 3.80 4.83 0.00 -1.01 -4.86 105.19 113.95 1nwb n GLY 82 Ca 0.44 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.17 1nwb n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nwb s ALA 83 N -1.83 1.82 -0.19 4.61 0.00 0.26 -4.32 121.76 122.12 1nwb s ALA 83 Ca 0.00 -0.71 -0.09 0.00 0.00 0.00 0.00 51.96 51.17 1nwb s ALA 83 Cb 0.00 -2.96 -0.05 0.00 0.00 0.00 0.00 23.12 20.11 1nwb s ALA 83 CO 0.00 -2.40 0.10 -2.00 0.00 0.00 0.00 175.76 171.46 1nwb s GLU 84 N -5.44 4.09 -0.33 0.00 2.12 -0.90 -2.17 118.70 116.07 1nwb s GLU 84 Ca 0.66 -0.28 0.00 0.00 0.36 0.00 0.00 54.97 55.72 1nwb s GLU 84 Cb -0.12 -3.32 0.08 0.00 0.26 0.00 0.00 34.13 31.03 1nwb s GLU 84 CO 0.53 0.29 0.03 -1.17 -0.54 0.00 0.00 175.26 174.41 1nwb s LEU 85 N 0.35 4.32 -0.61 2.70 2.96 -0.55 -0.13 118.68 127.72 1nwb s LEU 85 Ca 0.06 -1.68 -0.15 0.00 -0.22 0.00 0.00 54.13 52.14 1nwb s LEU 85 Cb -0.12 -1.69 0.15 0.00 0.50 0.00 0.00 46.19 45.04 1nwb s LEU 85 CO -0.01 -0.34 0.56 -0.62 -1.32 0.00 0.00 176.35 174.62 1nwb s ASP 86 N 1.27 6.31 -0.54 3.68 -1.08 0.24 -2.89 116.67 123.64 1nwb s ASP 86 Ca 0.01 -2.02 -0.24 0.00 -0.52 0.00 0.00 52.55 49.78 1nwb s ASP 86 Cb -0.20 -2.20 0.04 0.00 -1.46 0.00 0.00 42.92 39.10 1nwb s ASP 86 CO -0.04 -0.78 0.96 -0.47 0.52 0.00 0.00 175.17 175.35 1nwb s TYR 87 N 1.24 2.79 0.54 -5.34 6.14 -1.26 -2.28 117.35 119.18 1nwb s TYR 87 Ca 0.07 0.05 -0.20 0.00 0.64 0.00 0.00 57.07 57.62 1nwb s TYR 87 Cb -0.25 -4.09 -0.06 0.00 0.42 0.00 0.00 41.96 37.98 1nwb s TYR 87 CO -0.00 -1.34 1.16 0.08 0.64 0.00 0.00 175.55 176.09 1nwb s VAL 88 N 3.99 3.00 -0.13 3.14 1.01 0.34 -4.20 120.40 127.54 1nwb s VAL 88 Ca 0.32 0.65 -0.00 0.00 0.00 0.00 0.00 61.98 62.95 1nwb s VAL 88 Cb -0.12 -3.28 0.03 0.00 0.00 0.00 0.00 36.38 33.00 1nwb s VAL 88 CO 0.20 -0.10 -0.10 -0.69 0.00 0.00 0.00 175.10 174.41 1nwb s VAL 89 N -1.67 1.22 0.12 2.92 1.01 -1.26 -0.69 120.40 122.05 1nwb s VAL 89 Ca 0.72 -0.44 -0.09 0.00 0.00 0.00 0.00 61.98 62.17 1nwb s VAL 89 Cb -0.27 -1.22 0.03 0.00 0.00 0.00 0.00 36.38 34.93 1nwb s VAL 89 CO 0.31 0.38 0.44 0.47 0.00 0.00 0.00 175.10 176.70 1nwb n ASP 90 N 4.88 -0.91 0.00 3.32 8.00 -1.06 -4.92 116.55 125.87 1nwb n ASP 90 Ca -0.14 -1.54 0.00 0.00 0.71 0.00 0.00 54.79 53.82 1nwb n ASP 90 Cb 0.50 1.49 0.00 0.00 -0.02 0.00 0.00 41.12 43.09 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 -0.31 0.00 -0.39 1.24 7.35 -1.26 -0.60 117.46 123.49 1nwb n PHE 91 Ca -0.02 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.60 1nwb n PHE 91 Cb 0.27 0.00 0.19 0.00 0.35 0.00 0.00 39.48 40.30 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 9.87 2.68 0.00 -4.13 2.81 -1.26 -4.82 117.12 122.27 1nwb n MET 92 Ca 0.00 -2.06 0.00 0.00 -1.81 0.00 0.00 57.70 53.83 1nwb n MET 92 Cb 0.00 -1.90 0.00 0.00 -0.71 0.00 0.00 33.22 30.61 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 -0.12 -0.71 0.00 3.03 0.00 0.23 -5.19 105.19 102.42 1nwb n GLY 93 Ca 0.30 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.93 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 0.00 -0.94 2.94 -0.02 0.00 -1.15 -2.55 105.19 103.48 1nwb n GLY 94 Ca 0.00 -0.94 -0.24 0.00 0.00 0.00 0.00 46.02 44.83 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 0.72 -0.30 -0.02 0.00 0.13 -4.81 107.32 103.04 1nwb s GLY 95 Ca 0.00 -0.37 -0.28 0.00 0.00 0.00 0.00 44.72 44.07 1nwb s GLY 95 CO 0.00 0.47 1.02 -1.36 0.00 0.00 0.00 173.10 173.23 1nwb s PHE 96 N 1.14 3.20 -0.07 1.90 0.08 -1.26 0.13 117.98 123.09 1nwb s PHE 96 Ca -0.06 1.19 -0.01 0.00 0.12 0.00 0.00 56.93 58.18 1nwb s PHE 96 Cb -0.14 -3.52 0.03 0.00 -0.57 0.00 0.00 43.02 38.81 1nwb s PHE 96 CO -0.01 -0.67 -0.02 0.99 -0.10 0.00 0.00 175.22 175.41 1nwb s THR 97 N 3.44 0.49 -0.13 0.64 2.01 -0.97 -4.88 115.64 116.25 1nwb s THR 97 Ca 0.43 0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.45 1nwb s THR 97 Cb -0.13 -0.60 0.01 0.00 0.01 0.00 0.00 72.50 71.80 1nwb s THR 97 CO 0.13 0.26 -0.18 -0.51 -0.69 0.00 0.00 174.62 173.63 1nwb s ILE 98 N 1.62 1.74 -0.31 1.82 -1.16 -1.26 0.80 121.20 124.44 1nwb s ILE 98 Ca 0.00 -0.78 -0.02 0.00 -0.51 0.00 0.00 60.65 59.35 1nwb s ILE 98 Cb -0.13 -1.57 0.06 0.00 0.61 0.00 0.00 42.46 41.43 1nwb s ILE 98 CO -0.04 0.49 0.01 -0.13 -2.81 0.00 0.00 174.94 172.46 1nwb s ARG 99 N 0.99 2.36 -0.10 3.50 1.81 0.82 -4.98 118.95 123.35 1nwb s ARG 99 Ca -0.05 -1.33 -0.01 0.00 -1.72 0.00 0.00 55.73 52.62 1nwb s ARG 99 Cb -0.15 -3.21 -0.03 0.00 -0.45 0.00 0.00 34.95 31.12 1nwb s ARG 99 CO -0.03 -0.67 -0.07 0.54 -0.68 0.00 0.00 175.30 174.39 1nwb s ASN 100 N 1.29 4.56 0.00 0.23 4.22 -1.26 -2.11 114.94 121.86 1nwb s ASN 100 Ca -0.04 -0.11 0.24 0.00 -2.14 0.00 0.00 52.86 50.81 1nwb s ASN 100 Cb -0.20 -1.41 1.44 0.00 1.28 0.00 0.00 41.25 42.36 1nwb s ASN 100 CO -0.02 0.27 1.80 -0.81 -2.04 0.00 0.00 177.10 176.31