#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nwb n GLN 2 N 0.00 -1.01 -3.82 0.03 1.13 -1.26 -5.07 117.38 107.38 1nwb n GLN 2 Ca 0.00 1.26 -0.11 0.00 -1.94 0.00 0.00 57.00 56.21 1nwb n GLN 2 Cb 0.00 -4.62 -0.08 0.00 0.11 0.00 0.00 30.24 25.65 1nwb n GLN 2 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 1nwb s GLU 3 N -2.95 0.69 -1.15 -1.09 -1.05 -1.26 -5.06 118.70 106.83 1nwb s GLU 3 Ca 0.01 -0.55 -0.22 0.00 -0.15 0.00 0.00 54.97 54.06 1nwb s GLU 3 Cb -0.00 0.29 -0.09 0.00 -0.44 0.00 0.00 34.13 33.88 1nwb s GLU 3 CO 0.55 -0.20 1.93 0.94 0.95 0.00 0.00 175.26 179.43 1nwb n GLN 4 N 0.79 1.63 -2.41 -4.83 7.27 -1.26 -4.90 117.38 113.66 1nwb n GLN 4 Ca -0.19 -2.43 -0.43 0.00 0.07 0.00 0.00 57.00 54.02 1nwb n GLN 4 Cb 0.58 -3.65 -0.02 0.00 2.41 0.00 0.00 30.24 29.56 1nwb n GLN 4 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1nwb s ALA 5 N 10.35 3.63 -0.29 1.69 0.00 -1.26 -4.87 121.76 131.01 1nwb s ALA 5 Ca 0.67 0.44 -0.16 0.00 0.00 0.00 0.00 51.96 52.91 1nwb s ALA 5 Cb 0.01 -3.64 0.17 0.00 0.00 0.00 0.00 23.12 19.66 1nwb s ALA 5 CO 0.13 -1.24 1.05 -1.14 0.00 0.00 0.00 175.76 174.57 1nwb s GLN 6 N 3.58 0.27 -0.32 0.00 0.74 -1.26 -5.13 119.66 117.54 1nwb s GLN 6 Ca 0.55 0.54 0.03 0.00 0.05 0.00 0.00 55.36 56.53 1nwb s GLN 6 Cb -0.22 0.17 0.09 0.00 1.10 0.00 0.00 33.01 34.15 1nwb s GLN 6 CO 0.16 -0.07 0.02 -1.14 -0.55 0.00 0.00 175.29 173.71 1nwb s GLN 7 N 1.68 1.57 0.73 1.67 0.74 -1.26 -4.07 119.66 120.72 1nwb s GLN 7 Ca -0.06 -1.66 -0.11 0.00 0.05 0.00 0.00 55.36 53.58 1nwb s GLN 7 Cb -0.04 -3.01 0.03 0.00 1.10 0.00 0.00 33.01 31.08 1nwb s GLN 7 CO -0.15 -0.85 1.07 -0.06 -0.55 0.00 0.00 175.29 174.75 1nwb s PHE 8 N 1.02 2.99 -0.46 1.67 0.40 -1.26 -4.97 117.98 117.37 1nwb s PHE 8 Ca 0.06 1.38 -0.28 0.00 -0.60 0.00 0.00 56.93 57.49 1nwb s PHE 8 Cb -0.19 -2.95 0.03 0.00 0.51 0.00 0.00 43.02 40.42 1nwb s PHE 8 CO -0.09 -1.42 1.08 0.42 0.70 0.00 0.00 175.22 175.91 1nwb s ILE 9 N -3.05 4.30 -0.27 0.64 -1.09 -1.26 -4.97 121.20 115.50 1nwb s ILE 9 Ca 0.59 1.16 -0.20 0.00 -2.23 0.00 0.00 60.65 59.97 1nwb s ILE 9 Cb -0.14 -4.54 0.07 0.00 -1.58 0.00 0.00 42.46 36.27 1nwb s ILE 9 CO 0.55 -0.91 0.68 0.12 -1.23 0.00 0.00 174.94 174.15 1nwb s PHE 10 N 4.20 -0.90 -0.12 3.97 5.36 -1.26 -3.28 117.98 125.95 1nwb s PHE 10 Ca 0.45 1.97 -0.03 0.00 -0.96 0.00 0.00 56.93 58.37 1nwb s PHE 10 Cb -0.08 0.44 0.04 0.00 -0.34 0.00 0.00 43.02 43.08 1nwb s PHE 10 CO 0.29 -0.44 0.04 0.15 -1.46 0.00 0.00 175.22 173.80 1nwb s LYS 11 N 0.99 0.33 0.03 10.12 -0.14 -1.25 -5.08 119.74 124.75 1nwb s LYS 11 Ca -0.05 -0.01 -0.00 0.00 -1.36 0.00 0.00 55.97 54.55 1nwb s LYS 11 Cb -0.05 -1.36 -0.04 0.00 -1.68 0.00 0.00 37.83 34.70 1nwb s LYS 11 CO -0.09 -0.48 0.12 0.54 -0.76 0.00 0.00 175.35 174.68 1nwb s VAL 12 N 2.03 4.95 0.76 3.17 0.11 -1.26 -3.49 120.40 126.66 1nwb s VAL 12 Ca 0.03 -0.44 -0.15 0.00 -2.93 0.00 0.00 61.98 58.49 1nwb s VAL 12 Cb -0.14 -3.33 0.04 0.00 -1.53 0.00 0.00 36.38 31.42 1nwb s VAL 12 CO -0.06 0.25 1.11 0.35 -3.33 0.00 0.00 175.10 173.42 1nwb n THR 13 N 0.80 2.70 0.26 5.04 -2.24 -1.16 -4.86 114.28 114.82 1nwb n THR 13 Ca -0.10 -0.31 0.12 0.00 -2.27 0.00 0.00 64.05 61.49 1nwb n THR 13 Cb 0.52 -1.19 0.69 0.00 -2.10 0.00 0.00 70.33 68.24 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 -0.48 0.00 -0.44 3.42 3.32 -1.98 -2.09 116.42 118.17 1nwb h ASP 14 Ca -0.47 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.52 1nwb h ASP 14 Cb 1.32 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.85 1nwb h ASP 14 CO 0.47 0.14 0.06 0.50 -1.72 0.00 0.00 179.24 178.68 1nwb h LYS 15 N 0.00 0.74 0.83 3.56 1.63 -1.89 0.43 116.57 121.86 1nwb h LYS 15 Ca -0.00 -0.21 -0.04 0.00 -0.85 0.00 0.00 60.65 59.55 1nwb h LYS 15 Cb 0.38 -0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 31.92 1nwb h LYS 15 CO 0.02 0.78 -0.47 0.00 -3.45 0.00 0.00 179.45 176.32 1nwb h ALA 16 N 0.93 -1.25 -0.85 5.00 0.00 -1.54 0.76 119.26 122.32 1nwb h ALA 16 Ca 0.13 -0.26 0.07 0.00 0.00 0.00 0.00 54.91 54.86 1nwb h ALA 16 Cb 0.41 0.57 -0.07 0.00 0.00 0.00 0.00 17.79 18.70 1nwb h ALA 16 CO 0.01 -1.21 0.52 0.28 0.00 0.00 0.00 179.25 178.85 1nwb h VAL 17 N -1.21 0.99 -0.56 0.00 2.07 -1.48 0.24 116.25 116.31 1nwb h VAL 17 Ca -0.11 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 1nwb h VAL 17 Cb 0.96 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 1nwb h VAL 17 CO 0.13 0.17 0.25 -0.33 0.02 0.00 0.00 177.57 177.81 1nwb h GLU 18 N 0.91 0.79 0.59 1.57 4.39 0.25 0.75 114.58 123.83 1nwb h GLU 18 Ca 0.39 -0.11 -0.03 0.00 0.34 0.00 0.00 59.36 59.95 1nwb h GLU 18 Cb 0.25 -0.15 0.01 0.00 -0.10 0.00 0.00 28.75 28.75 1nwb h GLU 18 CO -0.20 0.63 -0.28 1.49 -1.16 0.00 0.00 179.01 179.49 1nwb h GLU 19 N 0.79 -0.76 -0.10 2.33 4.57 0.26 0.03 114.58 121.70 1nwb h GLU 19 Ca 0.19 0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.40 1nwb h GLU 19 Cb 0.12 0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 1nwb h GLU 19 CO -0.02 -0.51 -0.05 0.82 -1.18 0.00 0.00 179.01 178.07 1nwb h ILE 20 N -0.79 1.10 -0.04 2.32 5.03 -1.16 0.99 117.51 124.96 1nwb h ILE 20 Ca -0.08 -0.43 -0.00 0.00 -0.12 0.00 0.00 64.86 64.23 1nwb h ILE 20 Cb 0.61 1.09 -0.00 0.00 -3.03 0.00 0.00 36.82 35.48 1nwb h ILE 20 CO 0.13 0.14 0.02 0.11 -0.68 0.00 0.00 178.15 177.87 1nwb h LYS 21 N 0.14 0.05 -0.02 2.37 1.57 -0.26 0.84 116.57 121.27 1nwb h LYS 21 Ca 0.03 -0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.69 1nwb h LYS 21 Cb 0.19 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.50 1nwb h LYS 21 CO 0.01 0.08 -0.44 0.87 -0.57 0.00 0.00 179.45 179.39 1nwb h LYS 22 N 0.01 0.33 0.03 3.15 1.57 -0.36 0.47 116.57 121.78 1nwb h LYS 22 Ca 0.01 -0.33 0.03 0.00 -1.87 0.00 0.00 60.65 58.49 1nwb h LYS 22 Cb 0.04 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 1nwb h LYS 22 CO -0.00 1.01 -0.29 0.28 -0.57 0.00 0.00 179.45 179.88 1nwb h VAL 23 N -0.22 0.36 -0.45 0.50 2.07 0.11 1.03 116.25 119.65 1nwb h VAL 23 Ca -0.05 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 1nwb h VAL 23 Cb 1.15 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1nwb h VAL 23 CO 0.09 0.00 0.18 0.00 0.02 0.00 0.00 177.57 177.86 1nwb h ALA 24 N 0.30 0.58 -0.80 1.67 0.00 0.64 -2.19 119.26 119.46 1nwb h ALA 24 Ca 0.05 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.89 1nwb h ALA 24 Cb 0.53 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1nwb h ALA 24 CO -0.23 0.19 0.52 1.96 0.00 0.00 0.00 179.25 181.69 1nwb h GLN 25 N 0.58 0.81 0.00 0.00 4.20 -0.14 0.58 115.11 121.14 1nwb h GLN 25 Ca 0.15 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1nwb h GLN 25 Cb 0.19 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1nwb h GLN 25 CO -0.01 0.53 0.00 0.39 -0.67 0.00 0.00 178.83 179.07 1nwb n GLU 26 N -4.49 0.70 -0.08 1.46 1.02 0.35 -2.13 120.64 117.48 1nwb n GLU 26 Ca 0.12 0.01 0.05 0.00 -0.02 0.00 0.00 57.16 57.33 1nwb n GLU 26 Cb 0.25 -1.50 0.09 0.00 -0.02 0.00 0.00 31.44 30.25 1nwb n GLU 26 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1nwb n ASN 27 N -1.10 2.32 -0.79 1.62 3.02 0.18 -4.95 115.26 115.56 1nwb n ASN 27 Ca 0.18 -1.69 -0.07 0.00 -0.03 0.00 0.00 54.58 52.97 1nwb n ASN 27 Cb 0.14 -0.10 -0.00 0.00 -0.61 0.00 0.00 39.78 39.20 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 0.52 -2.73 -4.90 6.41 2.85 -0.75 -5.02 115.26 111.64 1nwb n ASN 28 Ca 0.08 0.00 -0.33 0.00 -0.11 0.00 0.00 54.58 54.22 1nwb n ASN 28 Cb 0.33 -1.99 -0.05 0.00 1.24 0.00 0.00 39.78 39.31 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 -2.35 5.40 0.00 -1.44 1.01 0.19 -4.98 121.20 119.04 1nwb s ILE 29 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.55 1nwb s ILE 29 Cb 0.00 -3.55 0.00 0.00 0.01 0.00 0.00 42.46 38.92 1nwb s ILE 29 CO 0.00 0.32 0.55 -0.62 0.00 0.00 0.00 174.94 175.19 1nwb n GLU 30 N 0.93 0.66 -2.92 2.79 1.02 -1.26 -4.00 120.64 117.86 1nwb n GLU 30 Ca -0.10 -0.70 -0.14 0.00 -0.02 0.00 0.00 57.16 56.20 1nwb n GLU 30 Cb 0.53 -0.77 0.02 0.00 -0.02 0.00 0.00 31.44 31.19 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 -0.15 -1.44 -4.81 1.62 0.23 -1.26 -5.03 115.26 104.42 1nwb n ASN 31 Ca 0.00 -3.19 -0.30 0.00 -0.53 0.00 0.00 54.58 50.56 1nwb n ASN 31 Cb 0.25 0.85 0.08 0.00 -2.08 0.00 0.00 39.78 38.89 1nwb n ASN 31 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 1nwb s PRO 32 N -0.34 2.37 -0.02 -0.53 0.04 -1.26 -4.91 135.00 130.35 1nwb s PRO 32 Ca 0.32 0.75 0.00 0.00 0.04 0.00 0.00 61.00 62.11 1nwb s PRO 32 Cb 0.25 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.86 1nwb s PRO 32 CO -0.15 -1.44 -0.01 0.42 0.04 0.00 0.00 177.00 175.86 1nwb s ILE 33 N -3.12 0.15 -0.28 0.56 1.01 -1.23 -3.59 121.20 114.71 1nwb s ILE 33 Ca 0.60 0.03 -0.20 0.00 0.00 0.00 0.00 60.65 61.08 1nwb s ILE 33 Cb -0.14 -0.21 -0.02 0.00 0.01 0.00 0.00 42.46 42.10 1nwb s ILE 33 CO 0.54 0.10 0.60 -0.76 0.00 0.00 0.00 174.94 175.43 1nwb s LEU 34 N 0.62 4.11 -0.26 2.97 1.02 -0.82 -3.17 118.68 123.15 1nwb s LEU 34 Ca -0.06 0.50 -0.02 0.00 0.02 0.00 0.00 54.13 54.57 1nwb s LEU 34 Cb -0.09 -2.78 0.03 0.00 0.02 0.00 0.00 46.19 43.36 1nwb s LEU 34 CO -0.01 -0.41 -0.03 -0.60 0.02 0.00 0.00 176.35 175.32 1nwb s ARG 35 N 2.51 2.81 -0.33 1.70 3.00 -1.25 0.20 118.95 127.60 1nwb s ARG 35 Ca 0.24 -1.00 -0.22 0.00 -1.00 0.00 0.00 55.73 53.75 1nwb s ARG 35 Cb -0.15 -3.08 0.00 0.00 0.00 0.00 0.00 34.95 31.72 1nwb s ARG 35 CO 0.10 -0.44 0.74 0.42 0.00 0.00 0.00 175.30 176.12 1nwb s ILE 36 N 1.34 4.81 0.09 4.11 1.09 -0.86 -4.32 121.20 127.47 1nwb s ILE 36 Ca -0.00 0.99 0.07 0.00 -1.10 0.00 0.00 60.65 60.61 1nwb s ILE 36 Cb -0.17 -4.13 -0.03 0.00 -1.06 0.00 0.00 42.46 37.07 1nwb s ILE 36 CO -0.03 -0.28 -0.18 0.00 -0.10 0.00 0.00 174.94 174.35 1nwb s ARG 37 N 2.90 0.99 -0.39 2.79 1.04 -1.26 -3.65 118.95 121.38 1nwb s ARG 37 Ca 0.30 -1.07 -0.13 0.00 -1.04 0.00 0.00 55.73 53.79 1nwb s ARG 37 Cb -0.14 -1.15 0.02 0.00 -2.04 0.00 0.00 34.95 31.64 1nwb s ARG 37 CO 0.14 0.26 0.26 0.08 -0.04 0.00 0.00 175.30 176.00 1nwb s VAL 38 N -1.20 5.05 -0.07 4.99 1.01 -1.26 -3.83 120.40 125.09 1nwb s VAL 38 Ca 0.03 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.38 1nwb s VAL 38 Cb -0.10 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 1nwb s VAL 38 CO 0.03 -0.24 -0.17 0.54 0.00 0.00 0.00 175.10 175.26 1nwb s VAL 39 N 1.65 2.82 -1.21 2.92 0.11 -1.26 -5.02 120.40 120.42 1nwb s VAL 39 Ca 0.04 -0.79 -0.08 0.00 -2.93 0.00 0.00 61.98 58.22 1nwb s VAL 39 Cb -0.19 -2.11 -0.07 0.00 -1.53 0.00 0.00 36.38 32.49 1nwb s VAL 39 CO 0.09 0.57 2.44 -0.81 -3.33 0.00 0.00 175.10 174.06 1nwb n PRO 40 N 2.71 2.73 -2.90 1.54 -0.04 -1.26 -4.48 135.00 133.30 1nwb n PRO 40 Ca -0.17 -1.80 -0.42 0.00 -0.04 0.00 0.00 63.50 61.06 1nwb n PRO 40 Cb 0.52 -2.63 0.01 0.00 -0.04 0.00 0.00 33.50 31.36 1nwb n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nwb n GLY 41 N 3.73 5.41 0.00 0.55 0.00 -1.26 -4.84 105.19 108.78 1nwb n GLY 41 Ca 0.58 -2.63 0.00 0.00 0.00 0.00 0.00 46.02 43.97 1nwb n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nwb n GLY 42 N 1.00 1.95 0.26 -0.02 0.00 -1.26 -3.48 105.19 103.64 1nwb n GLY 42 Ca 0.32 -1.19 0.17 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.88 0.41 -0.04 0.00 2.88 -1.26 -4.65 113.62 108.09 1nwb n SER 44 Ca 0.00 0.18 -0.03 0.00 -1.33 0.00 0.00 58.87 57.68 1nwb n SER 44 Cb 0.23 0.94 -0.01 0.00 -0.75 0.00 0.00 64.21 64.62 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 1.40 -0.56 2.26 0.46 0.00 -0.60 -4.92 105.19 103.22 1nwb n GLY 45 Ca -0.11 -0.13 -0.01 0.00 0.00 0.00 0.00 46.02 45.77 1nwb n GLY 45 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1nwb n PHE 46 N -3.34 -1.78 -1.23 1.61 -1.74 0.44 -4.86 117.46 106.57 1nwb n PHE 46 Ca -0.05 0.00 -0.30 0.00 -0.56 0.00 0.00 57.45 56.54 1nwb n PHE 46 Cb 0.20 -1.15 0.23 0.00 1.52 0.00 0.00 39.48 40.28 1nwb n PHE 46 CO 0.00 0.00 0.00 -0.65 -0.56 0.00 0.00 176.76 175.55 1nwb s GLN 47 N -4.52 -0.86 -0.30 3.97 1.11 -1.26 -4.75 119.66 113.05 1nwb s GLN 47 Ca 0.00 -0.11 -0.08 0.00 0.01 0.00 0.00 55.36 55.18 1nwb s GLN 47 Cb 0.00 -1.64 0.00 0.00 -1.01 0.00 0.00 33.01 30.36 1nwb s GLN 47 CO 0.00 -3.46 0.11 0.71 0.01 0.00 0.00 175.29 172.66 1nwb s TYR 48 N -3.15 3.16 0.59 0.91 1.51 -1.26 -4.06 117.35 115.05 1nwb s TYR 48 Ca 0.71 -0.79 -0.11 0.00 -1.01 0.00 0.00 57.07 55.87 1nwb s TYR 48 Cb -0.09 -2.30 -0.05 0.00 -0.11 0.00 0.00 41.96 39.41 1nwb s TYR 48 CO 0.56 -0.52 1.00 0.00 -1.11 0.00 0.00 175.55 175.47 1nwb s ALA 49 N 1.55 3.13 0.57 3.71 0.00 -1.25 -4.81 121.76 124.65 1nwb s ALA 49 Ca 0.03 -0.09 0.02 0.00 0.00 0.00 0.00 51.96 51.93 1nwb s ALA 49 Cb -0.17 -3.04 0.05 0.00 0.00 0.00 0.00 23.12 19.96 1nwb s ALA 49 CO 0.04 -0.59 0.80 -1.64 0.00 0.00 0.00 175.76 174.37 1nwb s MET 50 N -4.97 2.39 0.00 0.00 -1.94 -1.26 -4.16 119.30 109.36 1nwb s MET 50 Ca 0.55 -0.96 0.00 0.00 -1.71 0.00 0.00 55.69 53.57 1nwb s MET 50 Cb -0.11 -2.50 0.00 0.00 2.01 0.00 0.00 34.83 34.23 1nwb s MET 50 CO 0.50 -0.82 0.00 0.41 -0.01 0.00 0.00 175.02 175.10 1nwb n GLY 51 N -2.38 -1.30 3.59 -0.03 0.00 -1.26 -5.02 105.19 98.80 1nwb n GLY 51 Ca 0.10 0.97 -0.42 0.00 0.00 0.00 0.00 46.02 46.66 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 0.00 1.78 0.48 1.61 -0.12 -1.26 -4.05 117.98 116.42 1nwb s PHE 52 Ca 0.00 0.66 0.06 0.00 -0.05 0.00 0.00 56.93 57.60 1nwb s PHE 52 Cb 0.00 -4.11 -0.00 0.00 -0.63 0.00 0.00 43.02 38.27 1nwb s PHE 52 CO 0.00 -2.86 0.31 -0.51 -0.05 0.00 0.00 175.22 172.11 1nwb s ASP 53 N 6.43 4.63 -0.49 1.98 1.01 -1.19 -4.86 116.67 124.19 1nwb s ASP 53 Ca 0.79 -1.11 0.08 0.00 0.71 0.00 0.00 52.55 53.01 1nwb s ASP 53 Cb -0.21 -0.05 0.36 0.00 1.01 0.00 0.00 42.92 44.03 1nwb s ASP 53 CO 0.32 -0.83 0.92 -0.67 0.21 0.00 0.00 175.17 175.12 1nwb n ASP 54 N -1.53 3.39 -3.22 0.27 -0.08 -1.26 -3.48 116.55 110.63 1nwb n ASP 54 Ca -0.01 -3.45 -0.05 0.00 -1.51 0.00 0.00 54.79 49.77 1nwb n ASP 54 Cb 0.64 -0.56 0.02 0.00 2.34 0.00 0.00 41.12 43.56 1nwb n ASP 54 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1nwb s THR 55 N -4.03 0.00 0.04 5.18 -1.32 -1.26 -5.16 115.64 109.08 1nwb s THR 55 Ca 0.45 -0.71 0.00 0.00 -1.21 0.00 0.00 61.69 60.22 1nwb s THR 55 Cb 0.33 -2.90 -0.03 0.00 -1.51 0.00 0.00 72.50 68.39 1nwb s THR 55 CO -0.12 0.00 -0.04 -0.69 -2.21 0.00 0.00 174.62 171.56 1nwb s VAL 56 N -2.19 0.22 0.57 5.08 1.01 -1.26 -5.04 120.40 118.79 1nwb s VAL 56 Ca 0.20 -1.24 0.01 0.00 0.00 0.00 0.00 61.98 60.95 1nwb s VAL 56 Cb -0.03 -0.74 0.04 0.00 0.00 0.00 0.00 36.38 35.65 1nwb s VAL 56 CO 0.07 -0.65 0.80 -1.61 0.00 0.00 0.00 175.10 173.70 1nwb s GLU 57 N -2.31 2.45 -0.02 2.72 0.41 -1.26 -4.96 118.70 115.72 1nwb s GLU 57 Ca -0.07 -0.84 0.02 0.00 -0.41 0.00 0.00 54.97 53.66 1nwb s GLU 57 Cb -0.04 -2.48 0.08 0.00 -1.78 0.00 0.00 34.13 29.91 1nwb s GLU 57 CO -0.04 -0.79 0.70 -1.91 -0.49 0.00 0.00 175.26 172.74 1nwb n GLU 58 N -2.39 1.36 -2.00 1.61 2.13 -1.26 -3.59 120.64 116.51 1nwb n GLU 58 Ca 0.09 -0.32 -0.01 0.00 0.66 0.00 0.00 57.16 57.58 1nwb n GLU 58 Cb 0.60 -1.49 0.04 0.00 0.27 0.00 0.00 31.44 30.86 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 0.16 -0.06 3.86 8.31 0.00 -1.26 -5.12 105.19 111.09 1nwb n GLY 59 Ca 0.03 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 1nwb n GLY 59 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nwb s ASP 60 N -0.37 6.58 -0.50 1.61 1.11 -1.24 -4.05 116.67 119.81 1nwb s ASP 60 Ca 0.04 0.69 -0.28 0.00 0.18 0.00 0.00 52.55 53.17 1nwb s ASP 60 Cb 0.14 -2.15 0.01 0.00 1.07 0.00 0.00 42.92 42.00 1nwb s ASP 60 CO -0.04 0.34 1.41 -2.28 1.18 0.00 0.00 175.17 175.77 1nwb s HIS 61 N -1.12 2.34 -0.68 4.23 5.65 -1.15 -4.82 115.29 119.74 1nwb s HIS 61 Ca 0.22 0.56 -0.27 0.00 0.25 0.00 0.00 55.06 55.82 1nwb s HIS 61 Cb -0.14 -4.36 0.01 0.00 -1.18 0.00 0.00 32.58 26.91 1nwb s HIS 61 CO 0.11 -1.95 1.47 0.08 -0.65 0.00 0.00 174.74 173.80 1nwb s VAL 62 N 5.80 3.62 -0.27 0.89 1.01 -1.26 -3.62 120.40 126.57 1nwb s VAL 62 Ca 0.56 0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.93 1nwb s VAL 62 Cb -0.12 -4.56 0.05 0.00 0.00 0.00 0.00 36.38 31.75 1nwb s VAL 62 CO 0.28 -1.48 -0.07 0.12 0.00 0.00 0.00 175.10 173.95 1nwb s PHE 63 N 6.77 3.20 -0.11 5.22 2.19 -0.61 -4.77 117.98 129.88 1nwb s PHE 63 Ca 0.47 -1.99 -0.29 0.00 0.33 0.00 0.00 56.93 55.45 1nwb s PHE 63 Cb -0.10 -2.01 -0.01 0.00 -1.31 0.00 0.00 43.02 39.59 1nwb s PHE 63 CO 0.18 -0.82 0.98 -1.21 1.83 0.00 0.00 175.22 176.18 1nwb s GLU 64 N 1.21 4.41 0.00 10.12 2.02 -1.26 0.40 118.70 135.59 1nwb s GLU 64 Ca -0.05 1.34 0.00 0.00 0.02 0.00 0.00 54.97 56.28 1nwb s GLU 64 Cb -0.19 -3.55 0.00 0.00 0.10 0.00 0.00 34.13 30.49 1nwb s GLU 64 CO -0.04 -0.32 0.00 0.98 0.02 0.00 0.00 175.26 175.90 1nwb n TYR 65 N 5.05 0.00 -0.89 1.61 9.36 0.51 -4.95 117.16 127.85 1nwb n TYR 65 Ca 0.08 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.87 1nwb n TYR 65 Cb 0.49 0.00 -0.08 0.00 -0.63 0.00 0.00 39.34 39.12 1nwb n TYR 65 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1nwb n ASP 66 N 0.00 1.96 0.00 2.98 2.03 -1.26 -3.76 116.55 118.50 1nwb n ASP 66 Ca 0.00 -2.60 0.00 0.00 0.52 0.00 0.00 54.79 52.71 1nwb n ASP 66 Cb 0.00 -0.88 0.00 0.00 -0.72 0.00 0.00 41.12 39.52 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 4.68 2.71 3.93 0.27 0.00 -1.26 -4.98 105.19 110.54 1nwb n GLY 67 Ca 0.48 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.08 5.13 0.14 1.61 1.01 -1.25 -4.98 120.40 120.99 1nwb s VAL 68 Ca 0.00 -0.29 0.08 0.00 0.00 0.00 0.00 61.98 61.77 1nwb s VAL 68 Cb 0.00 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1nwb s VAL 68 CO 0.00 -0.32 -0.08 -0.75 0.00 0.00 0.00 175.10 173.95 1nwb s LYS 69 N -3.67 2.15 0.18 2.72 2.20 -1.24 0.19 119.74 122.27 1nwb s LYS 69 Ca 0.40 -1.13 0.09 0.00 -0.36 0.00 0.00 55.97 54.98 1nwb s LYS 69 Cb -0.10 -2.26 -0.04 0.00 -1.51 0.00 0.00 37.83 33.91 1nwb s LYS 69 CO 0.31 0.47 -0.19 0.08 -0.36 0.00 0.00 175.35 175.66 1nwb s VAL 70 N -1.48 1.92 0.01 4.02 1.01 0.16 -1.94 120.40 124.11 1nwb s VAL 70 Ca 0.24 -1.98 -0.08 0.00 0.00 0.00 0.00 61.98 60.16 1nwb s VAL 70 Cb -0.10 -1.92 0.00 0.00 0.00 0.00 0.00 36.38 34.36 1nwb s VAL 70 CO 0.15 -0.31 0.15 0.68 0.00 0.00 0.00 175.10 175.76 1nwb s VAL 71 N -2.09 0.09 0.11 2.92 -7.23 0.54 -1.57 120.40 113.18 1nwb s VAL 71 Ca 0.18 -0.77 -0.01 0.00 -1.81 0.00 0.00 61.98 59.57 1nwb s VAL 71 Cb -0.06 -0.57 -0.04 0.00 0.56 0.00 0.00 36.38 36.27 1nwb s VAL 71 CO 0.08 -0.42 0.02 -0.63 -0.31 0.00 0.00 175.10 173.83 1nwb s ILE 72 N -1.73 0.24 0.49 -0.62 1.01 -1.25 -2.02 121.20 117.32 1nwb s ILE 72 Ca -0.12 -1.89 -0.04 0.00 0.00 0.00 0.00 60.65 58.60 1nwb s ILE 72 Cb -0.06 -1.88 -0.02 0.00 0.01 0.00 0.00 42.46 40.51 1nwb s ILE 72 CO 0.00 -0.64 0.78 -1.81 0.00 0.00 0.00 174.94 173.27 1nwb s ASP 73 N -3.03 6.08 0.47 3.58 1.11 -1.24 -2.96 116.67 120.69 1nwb s ASP 73 Ca 0.19 0.77 0.27 0.00 0.18 0.00 0.00 52.55 53.95 1nwb s ASP 73 Cb 0.07 -2.04 0.80 0.00 1.07 0.00 0.00 42.92 42.82 1nwb s ASP 73 CO -0.02 -0.67 1.77 1.55 1.18 0.00 0.00 175.17 178.98 1nwb h PRO 74 N 0.20 0.00 -0.00 8.23 0.13 -1.96 -2.82 132.00 135.78 1nwb h PRO 74 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1nwb h PRO 74 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1nwb h PRO 74 CO 0.61 0.07 -0.68 0.34 -0.23 0.00 0.00 178.00 178.11 1nwb n PHE 75 N -3.15 0.00 0.16 1.56 -0.00 -1.26 -3.86 117.46 110.91 1nwb n PHE 75 Ca 0.02 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.59 1nwb n PHE 75 Cb 0.45 -0.14 0.03 0.00 -0.00 0.00 0.00 39.48 39.82 1nwb n PHE 75 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1nwb h SER 76 N 0.14 0.00 -0.07 -2.13 0.87 -1.86 -3.36 113.55 107.15 1nwb h SER 76 Ca 0.00 -0.02 0.03 0.00 -1.23 0.00 0.00 61.79 60.56 1nwb h SER 76 Cb 0.51 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.44 1nwb h SER 76 CO 0.00 0.01 -0.08 -0.03 -0.53 0.00 0.00 176.83 176.20 1nwb h MET 77 N 0.00 -0.11 0.00 2.24 4.05 -1.64 1.38 114.93 120.84 1nwb h MET 77 Ca 0.00 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 1nwb h MET 77 Cb 0.98 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.80 1nwb h MET 77 CO 0.00 -0.07 0.00 -0.35 0.23 0.00 0.00 176.91 176.72 1nwb n PRO 78 N -5.22 0.75 -0.00 0.39 -0.04 -1.26 -0.15 135.00 129.48 1nwb n PRO 78 Ca -0.04 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.44 1nwb n PRO 78 Cb 0.14 -1.47 -0.03 0.00 -0.04 0.00 0.00 33.50 32.11 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 -0.97 0.00 -2.77 0.54 4.19 -0.03 -4.69 117.16 113.44 1nwb n TYR 79 Ca 0.17 0.00 -0.02 0.00 3.31 0.00 0.00 57.90 61.36 1nwb n TYR 79 Cb 0.08 -0.02 0.07 0.00 0.49 0.00 0.00 39.34 39.96 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 -1.21 0.85 -2.99 2.97 0.24 0.45 -5.06 118.33 113.59 1nwb n VAL 80 Ca 0.00 -2.40 -0.41 0.00 -2.04 0.00 0.00 64.34 59.50 1nwb n VAL 80 Cb 0.07 1.13 -0.05 0.00 -1.47 0.00 0.00 33.84 33.52 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 -2.92 6.77 -1.08 -1.34 2.47 0.79 -4.10 114.94 115.53 1nwb s ASN 81 Ca 0.22 0.95 -0.07 0.00 0.42 0.00 0.00 52.86 54.38 1nwb s ASN 81 Cb 0.38 -2.40 -0.05 0.00 -1.45 0.00 0.00 41.25 37.72 1nwb s ASN 81 CO -0.05 -0.41 0.91 0.61 -3.72 0.00 0.00 177.10 174.44 1nwb n GLY 82 N 3.79 -1.06 3.33 1.21 0.00 -1.21 -5.02 105.19 106.24 1nwb n GLY 82 Ca 0.02 0.52 -0.11 0.00 0.00 0.00 0.00 46.02 46.45 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 -3.40 -1.05 0.15 4.61 0.00 -1.26 -4.74 121.76 116.06 1nwb s ALA 83 Ca 0.41 0.09 0.07 0.00 0.00 0.00 0.00 51.96 52.53 1nwb s ALA 83 Cb -0.07 0.67 -0.04 0.00 0.00 0.00 0.00 23.12 23.69 1nwb s ALA 83 CO 0.76 -0.64 -0.04 -1.83 0.00 0.00 0.00 175.76 174.01 1nwb s GLU 84 N -3.61 2.31 -0.27 0.00 -1.05 -1.19 -3.79 118.70 111.10 1nwb s GLU 84 Ca 0.02 -1.08 0.03 0.00 -0.15 0.00 0.00 54.97 53.79 1nwb s GLU 84 Cb 0.01 -2.34 0.07 0.00 -0.44 0.00 0.00 34.13 31.43 1nwb s GLU 84 CO -0.11 0.48 -0.09 -1.17 0.95 0.00 0.00 175.26 175.32 1nwb s LEU 85 N -2.67 3.61 -0.53 1.83 2.96 -1.23 -2.16 118.68 120.49 1nwb s LEU 85 Ca 0.25 -1.50 -0.18 0.00 -0.22 0.00 0.00 54.13 52.48 1nwb s LEU 85 Cb -0.10 -1.55 0.08 0.00 0.50 0.00 0.00 46.19 45.12 1nwb s LEU 85 CO 0.17 -0.22 0.61 -1.81 -1.32 0.00 0.00 176.35 173.79 1nwb s ASP 86 N 1.08 6.20 -0.18 3.68 1.11 -0.40 -3.01 116.67 125.14 1nwb s ASP 86 Ca -0.06 -1.17 -0.24 0.00 0.18 0.00 0.00 52.55 51.26 1nwb s ASP 86 Cb -0.20 -2.28 -0.02 0.00 1.07 0.00 0.00 42.92 41.50 1nwb s ASP 86 CO -0.05 -0.93 0.78 -0.47 1.18 0.00 0.00 175.17 175.67 1nwb s TYR 87 N 2.47 3.40 0.53 4.23 5.04 -1.26 -2.13 117.35 129.63 1nwb s TYR 87 Ca 0.12 1.16 -0.18 0.00 -2.44 0.00 0.00 57.07 55.73 1nwb s TYR 87 Cb -0.22 -2.96 -0.06 0.00 0.35 0.00 0.00 41.96 39.07 1nwb s TYR 87 CO 0.09 -0.23 1.05 0.08 -1.34 0.00 0.00 175.55 175.19 1nwb s VAL 88 N 2.14 3.82 -0.13 3.14 1.01 0.37 -4.17 120.40 126.59 1nwb s VAL 88 Ca 0.35 1.00 -0.00 0.00 0.00 0.00 0.00 61.98 63.34 1nwb s VAL 88 Cb -0.16 -3.43 0.02 0.00 0.00 0.00 0.00 36.38 32.81 1nwb s VAL 88 CO 0.11 -0.37 -0.10 -0.69 0.00 0.00 0.00 175.10 174.05 1nwb s VAL 89 N -2.21 1.24 0.20 2.92 1.01 -1.26 -0.91 120.40 121.38 1nwb s VAL 89 Ca 0.65 -0.42 -0.14 0.00 0.00 0.00 0.00 61.98 62.07 1nwb s VAL 89 Cb -0.16 -1.21 0.05 0.00 0.00 0.00 0.00 36.38 35.06 1nwb s VAL 89 CO 0.28 0.40 0.71 0.47 0.00 0.00 0.00 175.10 176.96 1nwb n ASP 90 N 4.85 -1.47 0.00 3.32 8.00 -0.98 -4.90 116.55 125.37 1nwb n ASP 90 Ca -0.14 -1.88 0.00 0.00 0.71 0.00 0.00 54.79 53.48 1nwb n ASP 90 Cb 0.50 2.41 0.00 0.00 -0.02 0.00 0.00 41.12 44.01 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 -0.49 0.00 1.02 1.24 7.35 -1.26 -0.65 117.46 124.67 1nwb n PHE 91 Ca -0.03 0.00 0.06 0.00 -0.76 0.00 0.00 57.45 56.72 1nwb n PHE 91 Cb 0.44 0.00 0.19 0.00 0.35 0.00 0.00 39.48 40.46 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 9.65 1.74 0.00 -4.13 2.81 -1.26 -4.81 117.12 121.12 1nwb n MET 92 Ca 0.00 -1.15 0.00 0.00 -1.81 0.00 0.00 57.70 54.74 1nwb n MET 92 Cb 0.00 -1.28 0.00 0.00 -0.71 0.00 0.00 33.22 31.23 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 1.04 0.84 0.00 3.03 0.00 0.18 -5.15 105.19 105.12 1nwb n GLY 93 Ca 0.12 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.56 3.42 -0.02 0.00 -1.11 -2.32 105.19 104.61 1nwb n GLY 94 Ca 0.00 -0.77 -0.23 0.00 0.00 0.00 0.00 46.02 45.02 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 2.45 -0.09 -0.02 0.00 -0.09 -4.78 107.32 104.79 1nwb s GLY 95 Ca 0.00 -1.54 0.03 0.00 0.00 0.00 0.00 44.72 43.21 1nwb s GLY 95 CO 0.00 -1.70 -0.18 -1.36 0.00 0.00 0.00 173.10 169.87 1nwb s PHE 96 N -3.34 2.04 0.00 1.90 0.08 -1.26 -0.48 117.98 116.92 1nwb s PHE 96 Ca 0.30 -0.84 -0.00 0.00 0.12 0.00 0.00 56.93 56.50 1nwb s PHE 96 Cb 0.03 -1.42 -0.01 0.00 -0.57 0.00 0.00 43.02 41.06 1nwb s PHE 96 CO 0.18 -0.38 0.00 0.99 -0.10 0.00 0.00 175.22 175.91 1nwb s THR 97 N 0.60 0.04 -0.06 0.64 2.01 -0.91 -4.89 115.64 113.07 1nwb s THR 97 Ca -0.15 -0.33 0.06 0.00 0.31 0.00 0.00 61.69 61.58 1nwb s THR 97 Cb -0.16 -0.12 -0.01 0.00 0.01 0.00 0.00 72.50 72.22 1nwb s THR 97 CO 0.05 -0.18 -0.25 -0.63 -0.69 0.00 0.00 174.62 172.92 1nwb s ILE 98 N -0.53 2.03 0.03 1.82 -1.09 -1.26 -1.28 121.20 120.92 1nwb s ILE 98 Ca -0.06 -1.05 0.08 0.00 -2.23 0.00 0.00 60.65 57.39 1nwb s ILE 98 Cb -0.04 -1.72 -0.03 0.00 -1.58 0.00 0.00 42.46 39.09 1nwb s ILE 98 CO -0.00 0.56 -0.23 -0.13 -1.23 0.00 0.00 174.94 173.92 1nwb s ARG 99 N -0.11 1.99 0.11 2.79 0.52 -0.92 -4.95 118.95 118.38 1nwb s ARG 99 Ca -0.05 -1.01 0.10 0.00 -0.52 0.00 0.00 55.73 54.25 1nwb s ARG 99 Cb -0.14 -2.09 -0.04 0.00 0.52 0.00 0.00 34.95 33.20 1nwb s ARG 99 CO 0.04 0.54 -0.24 -0.80 0.02 0.00 0.00 175.30 174.85 1nwb s ASN 100 N -1.17 2.99 0.00 0.23 -0.87 -1.26 -3.16 114.94 111.70 1nwb s ASN 100 Ca 0.12 -0.71 0.24 0.00 -1.57 0.00 0.00 52.86 50.94 1nwb s ASN 100 Cb -0.10 -0.19 1.43 0.00 -0.02 0.00 0.00 41.25 42.37 1nwb s ASN 100 CO 0.03 0.14 1.80 -0.81 -2.57 0.00 0.00 177.10 175.68