#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 -0.51 -2.30 3.17 6.02 -1.26 -5.14 117.38 117.36 1nwb n GLN 2 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.61 1nwb n GLN 2 Cb 0.00 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.24 1nwb n GLN 2 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 1nwb s GLU 3 N -2.00 4.01 -1.03 -1.09 -1.05 -1.26 -4.97 118.70 111.30 1nwb s GLU 3 Ca 0.00 1.81 -0.07 0.00 -0.15 0.00 0.00 54.97 56.57 1nwb s GLU 3 Cb 0.00 -2.62 0.26 0.00 -0.44 0.00 0.00 34.13 31.33 1nwb s GLU 3 CO 0.00 -0.35 0.99 -1.14 0.95 0.00 0.00 175.26 175.71 1nwb s GLN 4 N -2.38 3.87 0.09 -4.83 2.00 -1.26 -5.03 119.66 112.12 1nwb s GLN 4 Ca 0.58 -3.23 -0.31 0.00 -2.00 0.00 0.00 55.36 50.40 1nwb s GLN 4 Cb -0.30 -4.34 -0.07 0.00 0.80 0.00 0.00 33.01 29.10 1nwb s GLN 4 CO 0.37 -1.25 1.28 0.00 -0.50 0.00 0.00 175.29 175.19 1nwb s ALA 5 N -1.28 3.48 -0.30 1.58 0.00 -1.26 -4.94 121.76 119.04 1nwb s ALA 5 Ca 0.29 0.97 -0.16 0.00 0.00 0.00 0.00 51.96 53.06 1nwb s ALA 5 Cb -0.09 -3.48 0.17 0.00 0.00 0.00 0.00 23.12 19.72 1nwb s ALA 5 CO -0.10 -0.50 1.10 -1.14 0.00 0.00 0.00 175.76 175.12 1nwb s GLN 6 N 1.01 0.22 -0.34 0.00 0.74 -1.26 -5.10 119.66 114.92 1nwb s GLN 6 Ca 0.61 0.43 0.04 0.00 0.05 0.00 0.00 55.36 56.49 1nwb s GLN 6 Cb -0.33 0.12 0.10 0.00 1.10 0.00 0.00 33.01 34.01 1nwb s GLN 6 CO 0.30 -0.05 0.06 -1.14 -0.55 0.00 0.00 175.29 173.90 1nwb s GLN 7 N 1.56 1.43 0.02 1.67 0.74 -1.26 -4.55 119.66 119.26 1nwb s GLN 7 Ca -0.06 -1.83 -0.30 0.00 0.05 0.00 0.00 55.36 53.21 1nwb s GLN 7 Cb -0.03 -3.12 -0.04 0.00 1.10 0.00 0.00 33.01 30.92 1nwb s GLN 7 CO -0.14 -0.95 1.05 0.12 -0.55 0.00 0.00 175.29 174.82 1nwb s PHE 8 N 0.93 3.60 -0.38 1.67 5.36 -1.26 -4.98 117.98 122.92 1nwb s PHE 8 Ca 0.11 1.58 -0.29 0.00 -0.96 0.00 0.00 56.93 57.38 1nwb s PHE 8 Cb -0.19 -3.21 0.00 0.00 -0.34 0.00 0.00 43.02 39.29 1nwb s PHE 8 CO -0.09 -0.38 1.46 0.42 -1.46 0.00 0.00 175.22 175.17 1nwb s ILE 9 N 0.98 3.86 -0.05 3.12 -1.09 -1.26 -4.94 121.20 121.82 1nwb s ILE 9 Ca 0.54 0.89 -0.26 0.00 -2.23 0.00 0.00 60.65 59.59 1nwb s ILE 9 Cb -0.24 -4.10 0.06 0.00 -1.58 0.00 0.00 42.46 36.60 1nwb s ILE 9 CO 0.29 -0.67 0.57 0.12 -1.23 0.00 0.00 174.94 174.02 1nwb s PHE 10 N 5.50 -0.52 -0.18 3.97 5.36 -1.26 0.05 117.98 130.89 1nwb s PHE 10 Ca 0.64 0.90 -0.03 0.00 -0.96 0.00 0.00 56.93 57.48 1nwb s PHE 10 Cb -0.16 0.32 0.06 0.00 -0.34 0.00 0.00 43.02 42.90 1nwb s PHE 10 CO 0.32 -0.54 0.04 0.15 -1.46 0.00 0.00 175.22 173.73 1nwb s LYS 11 N -1.18 0.57 -0.01 10.12 -0.14 -1.07 -5.01 119.74 123.02 1nwb s LYS 11 Ca -0.11 -0.33 0.04 0.00 -1.36 0.00 0.00 55.97 54.20 1nwb s LYS 11 Cb -0.02 -1.99 -0.03 0.00 -1.68 0.00 0.00 37.83 34.12 1nwb s LYS 11 CO 0.08 -0.62 -0.12 0.54 -0.76 0.00 0.00 175.35 174.47 1nwb s VAL 12 N 1.91 3.24 1.40 3.17 0.11 -1.26 -3.52 120.40 125.44 1nwb s VAL 12 Ca -0.00 -0.84 -0.22 0.00 -2.93 0.00 0.00 61.98 57.99 1nwb s VAL 12 Cb -0.17 -2.35 0.36 0.00 -1.53 0.00 0.00 36.38 32.70 1nwb s VAL 12 CO -0.08 0.46 0.94 0.42 -3.33 0.00 0.00 175.10 173.52 1nwb s THR 13 N -0.87 1.27 -0.13 5.04 -4.23 -1.25 -4.89 115.64 110.58 1nwb s THR 13 Ca 0.14 0.00 0.14 0.00 -1.18 0.00 0.00 61.69 60.80 1nwb s THR 13 Cb -0.11 -2.09 0.02 0.00 1.34 0.00 0.00 72.50 71.66 1nwb s THR 13 CO 0.04 0.00 1.36 0.44 -0.54 0.00 0.00 174.62 175.92 1nwb h ASP 14 N -3.34 0.00 -0.06 3.99 3.32 -1.98 -3.21 116.42 115.13 1nwb h ASP 14 Ca -0.45 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.59 1nwb h ASP 14 Cb 1.34 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.89 1nwb h ASP 14 CO 0.30 0.55 0.00 0.50 -1.72 0.00 0.00 179.24 178.88 1nwb h LYS 15 N 0.00 0.11 0.14 3.56 1.63 -1.91 0.15 116.57 120.24 1nwb h LYS 15 Ca -0.02 -0.03 0.02 0.00 -0.85 0.00 0.00 60.65 59.76 1nwb h LYS 15 Cb 1.44 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 33.02 1nwb h LYS 15 CO 0.07 0.36 -0.43 0.00 -3.45 0.00 0.00 179.45 176.00 1nwb h ALA 16 N 0.74 -0.77 -0.74 5.00 0.00 -1.70 0.64 119.26 122.43 1nwb h ALA 16 Ca 0.02 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 54.94 1nwb h ALA 16 Cb 0.31 0.71 -0.07 0.00 0.00 0.00 0.00 17.79 18.73 1nwb h ALA 16 CO 0.00 -1.00 0.39 0.28 0.00 0.00 0.00 179.25 178.92 1nwb h VAL 17 N -0.68 0.87 -0.33 0.00 2.07 -1.55 0.17 116.25 116.81 1nwb h VAL 17 Ca 0.02 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 1nwb h VAL 17 Cb 0.69 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1nwb h VAL 17 CO -0.23 0.12 0.19 -0.33 0.02 0.00 0.00 177.57 177.33 1nwb h GLU 18 N 0.66 0.44 -0.48 1.57 5.08 0.53 0.19 114.58 122.58 1nwb h GLU 18 Ca 0.36 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.59 1nwb h GLU 18 Cb 0.36 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1nwb h GLU 18 CO -0.26 0.32 -0.09 1.49 -1.00 0.00 0.00 179.01 179.47 1nwb h GLU 19 N 0.45 0.87 -0.09 2.33 4.57 0.32 0.35 114.58 123.38 1nwb h GLU 19 Ca 0.12 -0.29 -0.19 0.00 -1.18 0.00 0.00 59.36 57.82 1nwb h GLU 19 Cb 0.00 -0.07 0.01 0.00 -0.16 0.00 0.00 28.75 28.53 1nwb h GLU 19 CO -0.02 0.92 -0.68 0.82 -1.18 0.00 0.00 179.01 178.87 1nwb h ILE 20 N 0.78 1.33 -0.73 2.32 1.08 -0.33 0.15 117.51 122.12 1nwb h ILE 20 Ca 0.13 -1.96 -0.06 0.00 -0.39 0.00 0.00 64.86 62.58 1nwb h ILE 20 Cb 0.60 2.20 -0.03 0.00 -3.07 0.00 0.00 36.82 36.52 1nwb h ILE 20 CO 0.04 0.60 0.22 0.11 -0.69 0.00 0.00 178.15 178.43 1nwb h LYS 21 N 0.27 1.14 0.06 2.37 1.57 -0.51 0.13 116.57 121.60 1nwb h LYS 21 Ca -0.06 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.47 1nwb h LYS 21 Cb 1.33 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1nwb h LYS 21 CO 0.14 0.97 -0.03 -0.22 -0.57 0.00 0.00 179.45 179.74 1nwb h LYS 22 N 1.08 -0.08 -0.54 3.15 3.64 -0.27 0.53 116.57 124.08 1nwb h LYS 22 Ca 0.23 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.72 1nwb h LYS 22 Cb 0.31 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.07 1nwb h LYS 22 CO -0.01 0.37 0.08 0.28 -2.27 0.00 0.00 179.45 177.90 1nwb h VAL 23 N -0.56 0.65 -0.38 2.00 2.07 -0.55 0.42 116.25 119.90 1nwb h VAL 23 Ca -0.01 -0.07 -0.10 0.00 0.82 0.00 0.00 66.70 67.34 1nwb h VAL 23 Cb 0.49 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1nwb h VAL 23 CO 0.01 0.04 -0.14 0.00 0.02 0.00 0.00 177.57 177.50 1nwb h ALA 24 N 1.44 0.53 -0.60 1.67 0.00 -0.72 -2.61 119.26 118.97 1nwb h ALA 24 Ca 0.28 -0.34 0.10 0.00 0.00 0.00 0.00 54.91 54.95 1nwb h ALA 24 Cb 0.41 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1nwb h ALA 24 CO -0.39 0.43 0.40 1.96 0.00 0.00 0.00 179.25 181.66 1nwb h GLN 25 N 0.56 0.40 -0.00 0.00 4.20 0.18 0.81 115.11 121.27 1nwb h GLN 25 Ca 0.09 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1nwb h GLN 25 Cb 0.68 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.37 1nwb h GLN 25 CO 0.05 0.27 -0.02 -1.91 -0.67 0.00 0.00 178.83 176.54 1nwb n GLU 26 N -4.47 0.16 -0.00 1.46 2.13 0.13 -2.81 120.64 117.25 1nwb n GLU 26 Ca 0.10 -0.01 0.06 0.00 0.66 0.00 0.00 57.16 57.97 1nwb n GLU 26 Cb 0.37 -1.50 -0.07 0.00 0.27 0.00 0.00 31.44 30.51 1nwb n GLU 26 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1nwb n ASN 27 N -1.41 0.68 -0.18 4.31 3.02 0.22 -4.98 115.26 116.93 1nwb n ASN 27 Ca 0.10 -0.74 -0.02 0.00 -0.03 0.00 0.00 54.58 53.89 1nwb n ASN 27 Cb 0.31 1.04 -0.00 0.00 -0.61 0.00 0.00 39.78 40.51 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 -1.33 -1.66 -4.90 6.41 5.15 0.19 -5.04 115.26 114.08 1nwb n ASN 28 Ca 0.02 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.67 1nwb n ASN 28 Cb 0.20 -0.85 -0.05 0.00 -0.53 0.00 0.00 39.78 38.56 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 -2.08 5.40 0.00 -1.44 1.01 0.14 -4.99 121.20 119.25 1nwb s ILE 29 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.54 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 0.97 1.21 0.00 0.00 0.00 174.94 177.44 1nwb n GLU 30 N 0.92 2.76 -2.95 2.79 2.13 -1.26 -4.15 120.64 120.88 1nwb n GLU 30 Ca -0.10 -1.44 -0.15 0.00 0.66 0.00 0.00 57.16 56.13 1nwb n GLU 30 Cb 0.53 -1.00 0.01 0.00 0.27 0.00 0.00 31.44 31.24 1nwb n GLU 30 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1nwb n ASN 31 N -0.47 -1.29 -4.71 4.31 6.94 -1.26 -4.99 115.26 113.79 1nwb n ASN 31 Ca 0.00 -3.14 -0.42 0.00 -0.02 0.00 0.00 54.58 51.00 1nwb n ASN 31 Cb 0.24 0.71 -0.03 0.00 -2.36 0.00 0.00 39.78 38.34 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 -0.43 4.45 -0.32 -0.53 0.04 -1.26 -4.85 135.00 132.10 1nwb s PRO 32 Ca 0.32 1.72 -0.10 0.00 0.04 0.00 0.00 61.00 62.98 1nwb s PRO 32 Cb 0.24 -3.36 -0.01 0.00 0.04 0.00 0.00 34.50 31.41 1nwb s PRO 32 CO -0.15 -0.22 0.18 0.42 0.04 0.00 0.00 177.00 177.27 1nwb s ILE 33 N 1.04 4.77 -0.34 0.56 1.01 -1.12 -2.38 121.20 124.73 1nwb s ILE 33 Ca 0.58 -0.38 -0.19 0.00 0.00 0.00 0.00 60.65 60.65 1nwb s ILE 33 Cb -0.28 -3.44 -0.00 0.00 0.01 0.00 0.00 42.46 38.74 1nwb s ILE 33 CO 0.29 0.04 0.58 -0.22 0.00 0.00 0.00 174.94 175.63 1nwb s LEU 34 N 1.64 4.26 -0.01 2.97 2.96 0.33 -1.15 118.68 129.68 1nwb s LEU 34 Ca 0.05 0.15 0.01 0.00 -0.22 0.00 0.00 54.13 54.12 1nwb s LEU 34 Cb -0.17 -2.71 -0.04 0.00 0.50 0.00 0.00 46.19 43.77 1nwb s LEU 34 CO 0.07 -0.51 0.04 0.00 -1.32 0.00 0.00 176.35 174.63 1nwb s ARG 35 N 2.55 2.91 -0.17 1.98 1.70 -1.25 0.13 118.95 126.80 1nwb s ARG 35 Ca 0.22 -0.55 -0.07 0.00 -0.47 0.00 0.00 55.73 54.86 1nwb s ARG 35 Cb -0.15 -2.76 -0.04 0.00 -0.57 0.00 0.00 34.95 31.43 1nwb s ARG 35 CO 0.13 0.64 0.07 0.42 -1.08 0.00 0.00 175.30 175.48 1nwb s ILE 36 N -1.13 4.91 -0.16 4.99 -1.09 -0.28 -4.37 121.20 124.07 1nwb s ILE 36 Ca 0.21 0.00 -0.05 0.00 -2.23 0.00 0.00 60.65 58.58 1nwb s ILE 36 Cb -0.12 -3.20 0.08 0.00 -1.58 0.00 0.00 42.46 37.64 1nwb s ILE 36 CO 0.12 0.48 0.30 -0.60 -1.23 0.00 0.00 174.94 174.00 1nwb s ARG 37 N 0.18 0.20 0.18 2.79 3.00 -1.26 -3.45 118.95 120.58 1nwb s ARG 37 Ca 0.05 0.75 -0.32 0.00 -1.00 0.00 0.00 55.73 55.21 1nwb s ARG 37 Cb -0.12 -0.09 -0.12 0.00 0.00 0.00 0.00 34.95 34.62 1nwb s ARG 37 CO 0.00 -0.33 1.71 0.28 0.00 0.00 0.00 175.30 176.95 1nwb n VAL 38 N 5.36 0.06 -4.81 7.11 0.31 -1.26 -4.08 118.33 121.02 1nwb n VAL 38 Ca -0.06 -0.01 -0.26 0.00 -0.01 0.00 0.00 64.34 64.00 1nwb n VAL 38 Cb 0.50 -1.88 -0.16 0.00 -0.91 0.00 0.00 33.84 31.38 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 1.38 1.39 -0.63 2.52 1.01 -1.26 -5.00 120.40 119.81 1nwb s VAL 39 Ca 0.77 -0.70 -0.27 0.00 0.00 0.00 0.00 61.98 61.78 1nwb s VAL 39 Cb -0.55 -1.19 0.01 0.00 0.00 0.00 0.00 36.38 34.65 1nwb s VAL 39 CO 0.35 0.40 1.53 -2.16 0.00 0.00 0.00 175.10 175.22 1nwb s PRO 40 N -0.03 3.04 0.00 2.72 0.04 -1.26 -4.46 135.00 135.05 1nwb s PRO 40 Ca -0.02 0.32 0.00 0.00 0.04 0.00 0.00 61.00 61.34 1nwb s PRO 40 Cb -0.10 -4.23 0.00 0.00 0.04 0.00 0.00 34.50 30.20 1nwb s PRO 40 CO 0.02 -2.27 0.00 0.41 0.04 0.00 0.00 177.00 175.20 1nwb n GLY 41 N 5.45 1.17 0.00 0.56 0.00 -1.26 -5.08 105.19 106.03 1nwb n GLY 41 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 5.00 -0.72 0.32 -0.02 0.00 -1.24 -4.93 105.19 103.59 1nwb n GLY 42 Ca 0.00 -0.27 0.08 0.00 0.00 0.00 0.00 46.02 45.83 1nwb n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nwb h SER 44 N 0.34 0.75 -0.44 0.00 0.02 -2.02 -3.47 113.55 108.72 1nwb h SER 44 Ca 0.16 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1nwb h SER 44 Cb 0.21 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1nwb h SER 44 CO -0.04 0.50 0.00 0.61 -1.14 0.00 0.00 176.83 176.77 1nwb n GLY 45 N -1.30 4.74 2.25 -3.77 0.00 -0.15 -4.97 105.19 101.99 1nwb n GLY 45 Ca 0.09 -0.83 -0.23 0.00 0.00 0.00 0.00 46.02 45.05 1nwb n GLY 45 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1nwb n PHE 46 N -1.79 1.09 -3.53 1.61 3.01 -1.26 -3.66 117.46 112.94 1nwb n PHE 46 Ca 0.00 -1.97 -0.37 0.00 1.01 0.00 0.00 57.45 56.12 1nwb n PHE 46 Cb 0.00 -1.65 -0.06 0.00 -0.01 0.00 0.00 39.48 37.75 1nwb n PHE 46 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 1nwb s GLN 47 N -0.02 4.07 0.21 -1.08 1.11 -1.26 -4.82 119.66 117.87 1nwb s GLN 47 Ca 0.63 0.23 -0.30 0.00 0.01 0.00 0.00 55.36 55.94 1nwb s GLN 47 Cb 0.31 -3.33 -0.08 0.00 -1.01 0.00 0.00 33.01 28.90 1nwb s GLN 47 CO -0.09 0.43 1.00 1.52 0.01 0.00 0.00 175.29 178.16 1nwb s TYR 48 N -0.18 3.82 0.59 0.91 -0.85 -1.26 -4.60 117.35 115.78 1nwb s TYR 48 Ca 0.20 1.81 -0.11 0.00 -0.52 0.00 0.00 57.07 58.45 1nwb s TYR 48 Cb -0.14 -3.10 -0.04 0.00 0.38 0.00 0.00 41.96 39.05 1nwb s TYR 48 CO 0.08 0.05 1.00 0.00 -1.52 0.00 0.00 175.55 175.17 1nwb s ALA 49 N -0.81 3.13 0.47 9.51 0.00 -1.26 -4.93 121.76 127.87 1nwb s ALA 49 Ca 0.44 -0.10 0.07 0.00 0.00 0.00 0.00 51.96 52.37 1nwb s ALA 49 Cb -0.27 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 19.82 1nwb s ALA 49 CO 0.34 -0.61 0.41 -1.64 0.00 0.00 0.00 175.76 174.26 1nwb s MET 50 N -5.01 2.41 0.12 0.00 -1.94 -1.26 -4.38 119.30 109.23 1nwb s MET 50 Ca 0.55 -1.72 -0.26 0.00 -1.71 0.00 0.00 55.69 52.55 1nwb s MET 50 Cb -0.11 -2.29 0.08 0.00 2.01 0.00 0.00 34.83 34.52 1nwb s MET 50 CO 0.51 -0.38 1.06 0.20 -0.01 0.00 0.00 175.02 176.40 1nwb s GLY 51 N -4.21 -0.19 -0.23 -0.03 0.00 -1.26 -5.04 107.32 96.36 1nwb s GLY 51 Ca 0.45 0.14 -0.05 0.00 0.00 0.00 0.00 44.72 45.26 1nwb s GLY 51 CO 0.26 0.78 0.00 -0.11 0.00 0.00 0.00 173.10 174.03 1nwb s PHE 52 N -2.79 3.01 0.48 1.90 -0.71 -1.26 -3.81 117.98 114.80 1nwb s PHE 52 Ca 0.15 -0.68 0.03 0.00 -1.04 0.00 0.00 56.93 55.40 1nwb s PHE 52 Cb -0.00 -2.14 -0.03 0.00 -1.21 0.00 0.00 43.02 39.63 1nwb s PHE 52 CO 0.01 -0.43 0.00 0.34 -1.34 0.00 0.00 175.22 173.81 1nwb s ASP 53 N 1.43 4.05 0.00 1.98 -1.08 -0.30 -4.90 116.67 117.85 1nwb s ASP 53 Ca 0.05 -1.57 0.00 0.00 -0.52 0.00 0.00 52.55 50.51 1nwb s ASP 53 Cb -0.15 0.25 0.00 0.00 -1.46 0.00 0.00 42.92 41.56 1nwb s ASP 53 CO 0.00 -0.73 0.00 0.47 0.52 0.00 0.00 175.17 175.43 1nwb n ASP 54 N -1.18 0.82 -3.50 -0.34 9.92 -1.26 -2.81 116.55 118.21 1nwb n ASP 54 Ca -0.15 0.00 -0.27 0.00 -0.53 0.00 0.00 54.79 53.84 1nwb n ASP 54 Cb 0.67 0.00 0.22 0.00 -0.64 0.00 0.00 41.12 41.37 1nwb n ASP 54 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1nwb n THR 55 N -2.45 0.00 -4.14 -3.53 5.66 -1.26 -5.00 114.28 103.55 1nwb n THR 55 Ca 0.00 -0.49 -0.13 0.00 -3.05 0.00 0.00 64.05 60.38 1nwb n THR 55 Cb 0.25 -1.26 -0.11 0.00 -1.55 0.00 0.00 70.33 67.67 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 -2.92 0.74 0.77 1.08 1.01 -1.26 -5.07 120.40 114.76 1nwb s VAL 56 Ca 0.65 -1.59 -0.10 0.00 0.00 0.00 0.00 61.98 60.94 1nwb s VAL 56 Cb -0.06 -1.27 0.08 0.00 0.00 0.00 0.00 36.38 35.13 1nwb s VAL 56 CO 0.50 -0.63 1.12 -1.61 0.00 0.00 0.00 175.10 174.48 1nwb s GLU 57 N -2.84 2.02 -0.04 2.72 2.02 -1.26 -4.92 118.70 116.39 1nwb s GLU 57 Ca 0.04 -0.04 -0.04 0.00 0.02 0.00 0.00 54.97 54.94 1nwb s GLU 57 Cb -0.02 -2.03 -0.17 0.00 0.10 0.00 0.00 34.13 32.01 1nwb s GLU 57 CO -0.02 -1.48 3.13 -1.91 0.02 0.00 0.00 175.26 175.00 1nwb n GLU 58 N -3.18 1.79 0.00 1.61 2.13 -1.26 -4.23 120.64 117.50 1nwb n GLU 58 Ca 0.08 -0.88 0.00 0.00 0.66 0.00 0.00 57.16 57.02 1nwb n GLU 58 Cb 0.61 -1.76 0.00 0.00 0.27 0.00 0.00 31.44 30.56 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 2.08 0.64 3.42 8.31 0.00 -1.26 -5.15 105.19 113.22 1nwb n GLY 59 Ca 0.33 -0.61 -0.31 0.00 0.00 0.00 0.00 46.02 45.43 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 3.63 -0.89 1.61 2.15 -1.26 -4.79 116.67 117.12 1nwb s ASP 60 Ca 0.00 -0.42 -0.25 0.00 0.43 0.00 0.00 52.55 52.31 1nwb s ASP 60 Cb 0.00 -0.56 -0.10 0.00 -0.30 0.00 0.00 42.92 41.96 1nwb s ASP 60 CO 0.00 0.28 2.16 -1.00 -0.17 0.00 0.00 175.17 176.44 1nwb s HIS 61 N -0.83 1.48 -0.37 -5.34 3.76 -1.02 -4.80 115.29 108.18 1nwb s HIS 61 Ca 0.13 1.33 -0.29 0.00 -0.15 0.00 0.00 55.06 56.08 1nwb s HIS 61 Cb -0.10 -3.72 0.02 0.00 1.11 0.00 0.00 32.58 29.88 1nwb s HIS 61 CO 0.03 -1.55 1.18 0.54 -0.85 0.00 0.00 174.74 174.09 1nwb s VAL 62 N 12.71 4.27 -0.21 -0.90 0.11 -1.26 -2.42 120.40 132.70 1nwb s VAL 62 Ca 0.80 1.39 -0.01 0.00 -2.93 0.00 0.00 61.98 61.23 1nwb s VAL 62 Cb -0.09 -4.39 0.01 0.00 -1.53 0.00 0.00 36.38 30.38 1nwb s VAL 62 CO 0.05 -0.67 -0.11 0.12 -3.33 0.00 0.00 175.10 171.16 1nwb s PHE 63 N 4.25 2.91 0.25 1.54 5.36 0.18 -4.59 117.98 127.88 1nwb s PHE 63 Ca 0.50 -1.39 -0.30 0.00 -0.96 0.00 0.00 56.93 54.78 1nwb s PHE 63 Cb -0.12 -2.01 -0.10 0.00 -0.34 0.00 0.00 43.02 40.45 1nwb s PHE 63 CO 0.24 -0.70 1.34 -1.21 -1.46 0.00 0.00 175.22 173.42 1nwb s GLU 64 N 1.36 4.36 0.00 10.12 2.02 -1.26 -2.13 118.70 133.17 1nwb s GLU 64 Ca 0.04 2.15 0.00 0.00 0.02 0.00 0.00 54.97 57.18 1nwb s GLU 64 Cb -0.14 -3.14 0.00 0.00 0.10 0.00 0.00 34.13 30.95 1nwb s GLU 64 CO -0.08 -0.26 0.00 0.66 0.02 0.00 0.00 175.26 175.60 1nwb n TYR 65 N 2.02 -0.82 -0.97 1.61 4.02 0.28 -4.95 117.16 118.34 1nwb n TYR 65 Ca 0.04 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.51 1nwb n TYR 65 Cb 0.42 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.66 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 -1.27 1.98 -0.93 7.72 -0.08 -1.26 -3.15 116.55 119.55 1nwb n ASP 66 Ca 0.00 -2.61 -0.05 0.00 -1.51 0.00 0.00 54.79 50.62 1nwb n ASP 66 Cb 0.00 -0.94 0.01 0.00 2.34 0.00 0.00 41.12 42.53 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 4.79 0.47 3.33 0.27 0.00 -1.26 -5.04 105.19 107.75 1nwb n GLY 67 Ca 0.48 -0.56 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.76 0.05 0.07 1.61 1.01 -1.19 -4.89 120.40 114.30 1nwb s VAL 68 Ca 0.08 -0.45 -0.06 0.00 0.00 0.00 0.00 61.98 61.56 1nwb s VAL 68 Cb -0.04 -0.95 -0.05 0.00 0.00 0.00 0.00 36.38 35.34 1nwb s VAL 68 CO 0.10 -0.25 0.31 -0.54 0.00 0.00 0.00 175.10 174.73 1nwb s LYS 69 N -2.47 3.60 0.02 2.72 1.02 -1.00 0.98 119.74 124.61 1nwb s LYS 69 Ca -0.05 -0.09 -0.09 0.00 0.02 0.00 0.00 55.97 55.76 1nwb s LYS 69 Cb -0.01 -2.99 0.00 0.00 -0.52 0.00 0.00 37.83 34.32 1nwb s LYS 69 CO -0.02 0.57 0.17 0.08 -0.92 0.00 0.00 175.35 175.24 1nwb s VAL 70 N -1.45 0.09 0.07 3.17 1.01 -0.90 -0.51 120.40 121.87 1nwb s VAL 70 Ca 0.34 -0.78 -0.06 0.00 0.00 0.00 0.00 61.98 61.47 1nwb s VAL 70 Cb -0.13 -0.68 -0.01 0.00 0.00 0.00 0.00 36.38 35.56 1nwb s VAL 70 CO 0.21 -0.43 0.12 0.68 0.00 0.00 0.00 175.10 175.68 1nwb s VAL 71 N -1.93 0.16 -0.07 2.92 -7.23 0.36 0.50 120.40 115.10 1nwb s VAL 71 Ca -0.10 -1.30 -0.03 0.00 -1.81 0.00 0.00 61.98 58.74 1nwb s VAL 71 Cb -0.04 -1.28 0.04 0.00 0.56 0.00 0.00 36.38 35.66 1nwb s VAL 71 CO -0.01 -0.72 0.16 -0.63 -0.31 0.00 0.00 175.10 173.59 1nwb s ILE 72 N -3.57 -0.04 1.10 -0.62 1.09 -1.02 -1.12 121.20 117.02 1nwb s ILE 72 Ca 0.03 0.16 -0.12 0.00 -1.10 0.00 0.00 60.65 59.62 1nwb s ILE 72 Cb 0.04 -0.25 0.23 0.00 -1.06 0.00 0.00 42.46 41.42 1nwb s ILE 72 CO -0.09 0.07 0.96 0.47 -0.10 0.00 0.00 174.94 176.24 1nwb n ASP 73 N 4.12 -1.26 0.21 3.58 9.92 -1.22 -2.43 116.55 129.46 1nwb n ASP 73 Ca -0.25 0.01 0.09 0.00 -0.53 0.00 0.00 54.79 54.10 1nwb n ASP 73 Cb 0.52 -1.29 0.32 0.00 -0.64 0.00 0.00 41.12 40.03 1nwb n ASP 73 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1nwb h PRO 74 N -2.42 0.00 0.01 -0.24 0.13 -1.94 0.19 132.00 127.74 1nwb h PRO 74 Ca -0.56 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.29 1nwb h PRO 74 Cb 1.32 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.40 1nwb h PRO 74 CO 0.46 0.23 -1.57 0.74 -0.23 0.00 0.00 178.00 177.63 1nwb h PHE 75 N 0.00 0.05 0.00 1.56 -1.00 -1.98 -3.33 116.94 112.24 1nwb h PHE 75 Ca -0.00 -0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.74 1nwb h PHE 75 Cb 0.93 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.49 1nwb h PHE 75 CO 0.00 1.06 -0.84 0.66 -1.61 0.00 0.00 178.31 177.58 1nwb h SER 76 N 0.01 0.00 -0.25 2.17 4.64 -1.88 -3.36 113.55 114.87 1nwb h SER 76 Ca -0.23 -0.08 0.04 0.00 -0.47 0.00 0.00 61.79 61.05 1nwb h SER 76 Cb 1.97 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 64.02 1nwb h SER 76 CO 0.09 0.04 -0.01 0.24 -0.87 0.00 0.00 176.83 176.33 1nwb h MET 77 N 0.00 0.07 0.00 4.77 2.86 -0.72 0.11 114.93 122.01 1nwb h MET 77 Ca 0.00 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1nwb h MET 77 Cb 0.91 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.56 1nwb h MET 77 CO 0.00 0.04 0.00 -0.35 1.06 0.00 0.00 176.91 177.66 1nwb n PRO 78 N -5.16 0.75 -0.13 -0.22 -0.04 -1.26 -2.12 135.00 126.82 1nwb n PRO 78 Ca -0.01 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.54 1nwb n PRO 78 Cb 0.13 -1.40 0.16 0.00 -0.04 0.00 0.00 33.50 32.35 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 -0.90 0.34 -2.38 0.54 4.19 0.35 -4.38 117.16 114.92 1nwb n TYR 79 Ca 0.15 -0.22 -0.02 0.00 3.31 0.00 0.00 57.90 61.12 1nwb n TYR 79 Cb 0.07 -0.00 0.01 0.00 0.49 0.00 0.00 39.34 39.90 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 1.13 0.17 -1.58 2.97 0.24 -0.90 -4.98 118.33 115.39 1nwb n VAL 80 Ca 0.15 -0.87 -0.39 0.00 -2.04 0.00 0.00 64.34 61.19 1nwb n VAL 80 Cb 0.51 0.85 -0.03 0.00 -1.47 0.00 0.00 33.84 33.69 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 -1.68 4.85 -1.14 -1.34 3.84 -1.09 -1.62 114.94 116.76 1nwb s ASN 81 Ca 0.15 1.40 0.00 0.00 0.21 0.00 0.00 52.86 54.61 1nwb s ASN 81 Cb 0.24 -2.50 0.00 0.00 -0.55 0.00 0.00 41.25 38.43 1nwb s ASN 81 CO -0.08 -2.51 0.00 0.61 -2.79 0.00 0.00 177.10 172.33 1nwb n GLY 82 N 5.91 1.02 3.79 1.21 0.00 0.11 -4.93 105.19 112.30 1nwb n GLY 82 Ca 0.34 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.84 1.69 -0.06 4.61 0.00 -0.64 -4.56 121.76 120.97 1nwb s ALA 83 Ca 0.00 -0.80 0.04 0.00 0.00 0.00 0.00 51.96 51.20 1nwb s ALA 83 Cb 0.00 -2.93 -0.00 0.00 0.00 0.00 0.00 23.12 20.19 1nwb s ALA 83 CO 0.00 -2.57 -0.18 -2.00 0.00 0.00 0.00 175.76 171.01 1nwb s GLU 84 N -5.49 2.06 -0.29 0.00 2.12 -0.96 -2.58 118.70 113.56 1nwb s GLU 84 Ca 0.68 -0.65 0.00 0.00 0.36 0.00 0.00 54.97 55.37 1nwb s GLU 84 Cb -0.11 -1.71 0.06 0.00 0.26 0.00 0.00 34.13 32.63 1nwb s GLU 84 CO 0.54 0.20 -0.03 -1.17 -0.54 0.00 0.00 175.26 174.26 1nwb s LEU 85 N 0.19 3.85 -0.53 2.70 2.96 -1.23 -0.57 118.68 126.06 1nwb s LEU 85 Ca -0.09 -1.42 -0.17 0.00 -0.22 0.00 0.00 54.13 52.23 1nwb s LEU 85 Cb -0.14 -1.65 0.10 0.00 0.50 0.00 0.00 46.19 45.00 1nwb s LEU 85 CO 0.04 -0.26 0.56 -0.62 -1.32 0.00 0.00 176.35 174.75 1nwb s ASP 86 N 1.20 6.18 -0.17 3.68 -1.08 0.25 -3.84 116.67 122.89 1nwb s ASP 86 Ca -0.05 -1.41 -0.24 0.00 -0.52 0.00 0.00 52.55 50.32 1nwb s ASP 86 Cb -0.20 -2.25 -0.02 0.00 -1.46 0.00 0.00 42.92 39.00 1nwb s ASP 86 CO -0.03 -0.89 0.79 -0.47 0.52 0.00 0.00 175.17 175.09 1nwb s TYR 87 N 2.11 3.41 0.50 -5.34 5.04 -1.26 -2.51 117.35 119.31 1nwb s TYR 87 Ca 0.08 1.20 -0.10 0.00 -2.44 0.00 0.00 57.07 55.80 1nwb s TYR 87 Cb -0.25 -2.97 -0.05 0.00 0.35 0.00 0.00 41.96 39.04 1nwb s TYR 87 CO 0.06 -0.22 0.88 0.08 -1.34 0.00 0.00 175.55 175.01 1nwb s VAL 88 N 2.08 4.76 -0.13 3.14 1.01 -1.15 -4.04 120.40 126.07 1nwb s VAL 88 Ca 0.37 0.68 0.00 0.00 0.00 0.00 0.00 61.98 63.02 1nwb s VAL 88 Cb -0.16 -3.80 0.02 0.00 0.00 0.00 0.00 36.38 32.44 1nwb s VAL 88 CO 0.12 -0.80 -0.11 -0.69 0.00 0.00 0.00 175.10 173.62 1nwb s VAL 89 N -2.73 1.30 0.25 2.92 1.01 -1.26 -2.51 120.40 119.38 1nwb s VAL 89 Ca 0.52 -0.46 -0.20 0.00 0.00 0.00 0.00 61.98 61.84 1nwb s VAL 89 Cb -0.10 -1.26 0.07 0.00 0.00 0.00 0.00 36.38 35.09 1nwb s VAL 89 CO 0.41 0.41 0.95 -1.81 0.00 0.00 0.00 175.10 175.06 1nwb s ASP 90 N 1.57 -0.02 0.00 3.32 1.01 -0.68 -4.90 116.67 116.96 1nwb s ASP 90 Ca 0.04 -0.79 0.00 0.00 0.71 0.00 0.00 52.55 52.51 1nwb s ASP 90 Cb -0.13 0.62 0.00 0.00 1.01 0.00 0.00 42.92 44.42 1nwb s ASP 90 CO -0.09 -1.21 0.00 0.33 0.21 0.00 0.00 175.17 174.41 1nwb n PHE 91 N -0.62 0.00 -0.07 4.23 7.35 -1.26 -0.06 117.46 127.04 1nwb n PHE 91 Ca -0.05 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.56 1nwb n PHE 91 Cb 0.60 0.00 0.12 0.00 0.35 0.00 0.00 39.48 40.55 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 10.25 1.97 0.00 -4.13 2.81 -1.26 -4.79 117.12 121.97 1nwb n MET 92 Ca 0.00 -1.52 0.00 0.00 -1.81 0.00 0.00 57.70 54.37 1nwb n MET 92 Cb 0.00 -1.67 0.00 0.00 -0.71 0.00 0.00 33.22 30.84 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 -0.15 -1.64 0.00 3.03 0.00 0.92 -5.18 105.19 102.17 1nwb n GLY 93 Ca 0.26 0.77 0.00 0.00 0.00 0.00 0.00 46.02 47.05 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 -0.67 2.69 -0.02 0.00 -1.06 -1.69 105.19 104.44 1nwb n GLY 94 Ca 0.00 -0.39 -0.17 0.00 0.00 0.00 0.00 46.02 45.46 1nwb n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nwb n GLY 95 N 0.00 3.14 2.96 -0.02 0.00 -1.05 -4.79 105.19 105.43 1nwb n GLY 95 Ca 0.00 -1.89 -0.30 0.00 0.00 0.00 0.00 46.02 43.83 1nwb n GLY 95 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nwb s PHE 96 N -3.08 2.28 -0.03 1.61 0.40 -1.26 -2.93 117.98 114.97 1nwb s PHE 96 Ca 0.31 -1.55 0.03 0.00 -0.60 0.00 0.00 56.93 55.12 1nwb s PHE 96 Cb 0.01 -1.56 0.00 0.00 0.51 0.00 0.00 43.02 41.98 1nwb s PHE 96 CO 0.22 -0.73 -0.11 0.99 0.70 0.00 0.00 175.22 176.29 1nwb s THR 97 N 1.44 0.92 -0.02 0.64 2.01 -1.04 -4.71 115.64 114.88 1nwb s THR 97 Ca -0.02 -0.44 0.02 0.00 0.31 0.00 0.00 61.69 61.55 1nwb s THR 97 Cb -0.17 -0.81 0.00 0.00 0.01 0.00 0.00 72.50 71.54 1nwb s THR 97 CO -0.07 0.28 -0.05 -0.51 -0.69 0.00 0.00 174.62 173.57 1nwb s ILE 98 N 0.12 0.48 -0.03 1.82 2.07 -1.26 0.87 121.20 125.27 1nwb s ILE 98 Ca -0.02 -0.21 0.06 0.00 -1.41 0.00 0.00 60.65 59.07 1nwb s ILE 98 Cb -0.09 -0.44 -0.01 0.00 0.13 0.00 0.00 42.46 42.05 1nwb s ILE 98 CO 0.01 0.16 -0.21 -0.13 -1.91 0.00 0.00 174.94 172.85 1nwb s ARG 99 N 0.18 1.84 -0.13 3.50 0.52 0.26 -4.95 118.95 120.16 1nwb s ARG 99 Ca -0.02 -0.76 0.01 0.00 -0.52 0.00 0.00 55.73 54.45 1nwb s ARG 99 Cb -0.06 -1.71 0.02 0.00 0.52 0.00 0.00 34.95 33.71 1nwb s ARG 99 CO -0.00 0.42 -0.16 1.21 0.02 0.00 0.00 175.30 176.78 1nwb s ASN 100 N -0.37 2.68 0.00 0.23 2.47 -1.26 -2.27 114.94 116.42 1nwb s ASN 100 Ca 0.05 -0.49 0.24 0.00 0.42 0.00 0.00 52.86 53.08 1nwb s ASN 100 Cb -0.09 -1.20 1.43 0.00 -1.45 0.00 0.00 41.25 39.94 1nwb s ASN 100 CO 0.00 -0.00 1.80 -0.81 -3.72 0.00 0.00 177.10 174.36