#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 1.11 -0.10 0.03 -0.21 -1.26 -5.09 119.66 114.15 1nwb s GLN 2 Ca 0.00 -2.03 -0.06 0.00 0.02 0.00 0.00 55.36 53.29 1nwb s GLN 2 Cb 0.00 -1.90 0.04 0.00 1.00 0.00 0.00 33.01 32.15 1nwb s GLN 2 CO 0.00 -1.26 0.24 -2.00 -2.12 0.00 0.00 175.29 170.14 1nwb s GLU 3 N 0.22 0.22 -1.28 2.91 2.56 -1.26 -5.07 118.70 117.00 1nwb s GLU 3 Ca 0.24 0.46 -0.19 0.00 0.00 0.00 0.00 54.97 55.48 1nwb s GLU 3 Cb -0.12 -0.05 0.04 0.00 2.00 0.00 0.00 34.13 36.01 1nwb s GLU 3 CO -0.08 -0.12 1.77 1.04 -0.56 0.00 0.00 175.26 177.31 1nwb n GLN 4 N 3.83 2.94 -2.40 4.30 6.02 -1.26 -4.94 117.38 125.88 1nwb n GLN 4 Ca -0.21 -3.15 -0.43 0.00 -0.01 0.00 0.00 57.00 53.20 1nwb n GLN 4 Cb 0.55 -3.54 -0.02 0.00 1.02 0.00 0.00 30.24 28.24 1nwb n GLN 4 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1nwb s ALA 5 N 5.33 3.61 -0.30 -1.58 0.00 -1.26 -4.70 121.76 122.85 1nwb s ALA 5 Ca 0.56 0.56 -0.17 0.00 0.00 0.00 0.00 51.96 52.92 1nwb s ALA 5 Cb 0.03 -3.60 0.20 0.00 0.00 0.00 0.00 23.12 19.76 1nwb s ALA 5 CO 0.09 -1.05 1.24 -1.14 0.00 0.00 0.00 175.76 174.90 1nwb s GLN 6 N 3.08 0.08 -0.29 0.00 0.74 -1.26 -5.10 119.66 116.90 1nwb s GLN 6 Ca 0.57 0.14 0.03 0.00 0.05 0.00 0.00 55.36 56.15 1nwb s GLN 6 Cb -0.24 0.02 0.08 0.00 1.10 0.00 0.00 33.01 33.97 1nwb s GLN 6 CO 0.18 -0.02 -0.03 -1.14 -0.55 0.00 0.00 175.29 173.74 1nwb s GLN 7 N 1.01 1.76 0.69 1.67 0.74 -1.26 -3.78 119.66 120.49 1nwb s GLN 7 Ca -0.07 -1.51 -0.11 0.00 0.05 0.00 0.00 55.36 53.72 1nwb s GLN 7 Cb -0.02 -2.93 0.01 0.00 1.10 0.00 0.00 33.01 31.16 1nwb s GLN 7 CO -0.11 -0.75 1.06 -0.06 -0.55 0.00 0.00 175.29 174.89 1nwb s PHE 8 N 1.09 3.07 -0.39 1.67 0.08 -1.26 -4.96 117.98 117.27 1nwb s PHE 8 Ca 0.01 1.44 -0.29 0.00 0.12 0.00 0.00 56.93 58.21 1nwb s PHE 8 Cb -0.19 -2.90 0.01 0.00 -0.57 0.00 0.00 43.02 39.36 1nwb s PHE 8 CO -0.08 -1.25 1.45 0.42 -0.10 0.00 0.00 175.22 175.67 1nwb s ILE 9 N -2.97 3.86 -0.27 0.64 -1.09 -1.26 -4.95 121.20 115.17 1nwb s ILE 9 Ca 0.59 0.89 -0.22 0.00 -2.23 0.00 0.00 60.65 59.68 1nwb s ILE 9 Cb -0.14 -4.13 0.07 0.00 -1.58 0.00 0.00 42.46 36.68 1nwb s ILE 9 CO 0.53 -0.69 0.69 0.12 -1.23 0.00 0.00 174.94 174.36 1nwb s PHE 10 N 5.52 -0.84 -0.08 3.97 2.19 -1.26 -3.54 117.98 123.94 1nwb s PHE 10 Ca 0.63 1.94 -0.02 0.00 0.33 0.00 0.00 56.93 59.81 1nwb s PHE 10 Cb -0.15 0.36 0.03 0.00 -1.31 0.00 0.00 43.02 41.95 1nwb s PHE 10 CO 0.32 -0.41 0.01 0.15 1.83 0.00 0.00 175.22 177.12 1nwb s LYS 11 N 0.70 0.53 -0.08 10.12 -0.14 -1.25 -5.09 119.74 124.53 1nwb s LYS 11 Ca -0.03 0.09 0.04 0.00 -1.36 0.00 0.00 55.97 54.71 1nwb s LYS 11 Cb -0.05 -1.04 -0.01 0.00 -1.68 0.00 0.00 37.83 35.04 1nwb s LYS 11 CO -0.04 -0.34 -0.19 0.54 -0.76 0.00 0.00 175.35 174.55 1nwb s VAL 12 N 1.99 2.56 0.80 3.17 0.11 -1.26 -3.21 120.40 124.56 1nwb s VAL 12 Ca 0.04 -0.87 -0.14 0.00 -2.93 0.00 0.00 61.98 58.08 1nwb s VAL 12 Cb -0.13 -2.00 0.03 0.00 -1.53 0.00 0.00 36.38 32.76 1nwb s VAL 12 CO -0.05 0.56 0.80 0.35 -3.33 0.00 0.00 175.10 173.43 1nwb n THR 13 N 2.98 1.60 0.28 5.04 -2.24 -1.25 -4.70 114.28 115.99 1nwb n THR 13 Ca -0.18 -0.28 0.14 0.00 -2.27 0.00 0.00 64.05 61.47 1nwb n THR 13 Cb 0.52 -0.92 0.82 0.00 -2.10 0.00 0.00 70.33 68.65 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 -0.82 0.00 -0.65 3.42 5.19 -1.98 -1.14 116.42 120.45 1nwb h ASP 14 Ca -0.46 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 55.91 1nwb h ASP 14 Cb 1.31 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.80 1nwb h ASP 14 CO 0.42 0.07 0.23 0.50 -3.12 0.00 0.00 179.24 177.34 1nwb h LYS 15 N 0.00 0.99 0.05 3.56 1.63 -1.91 1.66 116.57 122.55 1nwb h LYS 15 Ca -0.00 -0.20 -0.00 0.00 -0.85 0.00 0.00 60.65 59.60 1nwb h LYS 15 Cb 0.20 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.68 1nwb h LYS 15 CO 0.01 0.86 -0.02 0.00 -3.45 0.00 0.00 179.45 176.84 1nwb h ALA 16 N 1.09 -0.06 -0.40 5.00 0.00 -1.50 0.14 119.26 123.52 1nwb h ALA 16 Ca 0.21 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1nwb h ALA 16 Cb 0.26 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1nwb h ALA 16 CO -0.01 -0.23 0.26 0.28 0.00 0.00 0.00 179.25 179.55 1nwb h VAL 17 N -0.67 1.11 0.00 0.00 2.07 -1.21 0.61 116.25 118.17 1nwb h VAL 17 Ca -0.01 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1nwb h VAL 17 Cb 0.58 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1nwb h VAL 17 CO 0.01 0.11 0.00 -1.84 0.02 0.00 0.00 177.57 175.87 1nwb n GLU 18 N -4.80 0.30 0.08 1.57 -0.00 0.56 -2.02 120.64 116.34 1nwb n GLU 18 Ca 0.01 0.09 0.12 0.00 -0.00 0.00 0.00 57.16 57.37 1nwb n GLU 18 Cb 0.03 -1.50 0.06 0.00 -0.00 0.00 0.00 31.44 30.03 1nwb n GLU 18 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1nwb n GLU 19 N -1.28 0.46 0.00 3.44 4.07 0.16 -3.86 120.64 123.62 1nwb n GLU 19 Ca 0.10 0.09 -0.10 0.00 -0.06 0.00 0.00 57.16 57.19 1nwb n GLU 19 Cb 0.17 -1.74 -0.14 0.00 -0.06 0.00 0.00 31.44 29.66 1nwb n GLU 19 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 1nwb h ILE 20 N 0.00 0.99 -0.70 6.31 1.08 -0.86 -3.19 117.51 121.14 1nwb h ILE 20 Ca 0.00 -2.79 0.01 0.00 -0.39 0.00 0.00 64.86 61.69 1nwb h ILE 20 Cb 0.88 2.53 -0.03 0.00 -3.07 0.00 0.00 36.82 37.12 1nwb h ILE 20 CO 0.00 0.63 0.47 0.11 -0.69 0.00 0.00 178.15 178.67 1nwb h LYS 21 N 0.01 0.93 0.00 2.37 1.57 -1.65 1.05 116.57 120.85 1nwb h LYS 21 Ca -0.25 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.34 1nwb h LYS 21 Cb 1.98 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 34.06 1nwb h LYS 21 CO 0.10 0.61 -0.65 1.57 -0.57 0.00 0.00 179.45 180.51 1nwb h LYS 22 N 0.95 0.00 0.09 3.15 2.10 -1.67 0.39 116.57 121.58 1nwb h LYS 22 Ca 0.26 0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 58.63 1nwb h LYS 22 Cb -0.11 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.24 1nwb h LYS 22 CO -0.06 0.65 -1.18 0.28 -2.00 0.00 0.00 179.45 177.14 1nwb h VAL 23 N 0.00 1.33 -0.01 0.07 2.07 -1.00 -3.01 116.25 115.70 1nwb h VAL 23 Ca -0.01 -2.51 -0.25 0.00 0.82 0.00 0.00 66.70 64.75 1nwb h VAL 23 Cb 1.25 2.65 0.02 0.00 -1.52 0.00 0.00 31.29 33.69 1nwb h VAL 23 CO 0.08 0.76 -0.98 0.00 0.02 0.00 0.00 177.57 177.45 1nwb h ALA 24 N 0.41 0.14 -0.72 1.67 0.00 0.11 -3.11 119.26 117.76 1nwb h ALA 24 Ca -0.16 -0.68 0.13 0.00 0.00 0.00 0.00 54.91 54.21 1nwb h ALA 24 Cb 1.85 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 19.60 1nwb h ALA 24 CO 0.22 0.65 0.27 1.96 0.00 0.00 0.00 179.25 182.35 1nwb h GLN 25 N 0.36 0.40 0.00 0.00 4.20 -0.27 1.00 115.11 120.80 1nwb h GLN 25 Ca -0.12 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.57 1nwb h GLN 25 Cb 1.64 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 29.33 1nwb h GLN 25 CO 0.19 0.26 0.00 1.49 -0.67 0.00 0.00 178.83 180.11 1nwb h GLU 26 N 0.41 0.00 -0.45 1.46 4.22 -1.55 -1.06 114.58 117.62 1nwb h GLU 26 Ca 0.39 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.83 1nwb h GLU 26 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1nwb h GLU 26 CO -0.40 0.00 0.00 0.09 -2.18 0.00 0.00 179.01 176.52 1nwb n ASN 27 N -2.41 3.23 -1.98 1.04 3.02 0.30 -4.93 115.26 113.52 1nwb n ASN 27 Ca 0.02 -1.96 -0.19 0.00 -0.03 0.00 0.00 54.58 52.42 1nwb n ASN 27 Cb 0.24 -0.30 -0.04 0.00 -0.61 0.00 0.00 39.78 39.06 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 0.97 -5.22 -4.83 6.41 2.85 0.14 -4.94 115.26 110.64 1nwb n ASN 28 Ca 0.16 0.25 -0.36 0.00 -0.11 0.00 0.00 54.58 54.51 1nwb n ASN 28 Cb 0.49 -4.50 -0.07 0.00 1.24 0.00 0.00 39.78 36.95 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 -2.77 5.45 -0.67 -1.44 1.01 0.17 -4.97 121.20 117.97 1nwb s ILE 29 Ca 0.00 0.25 0.07 0.00 0.00 0.00 0.00 60.65 60.98 1nwb s ILE 29 Cb 0.00 -3.45 0.18 0.00 0.01 0.00 0.00 42.46 39.21 1nwb s ILE 29 CO 0.00 0.56 1.11 1.21 0.00 0.00 0.00 174.94 177.81 1nwb n GLU 30 N 2.47 2.49 -2.99 2.79 2.13 -1.26 -3.63 120.64 122.63 1nwb n GLU 30 Ca -0.18 -1.73 -0.15 0.00 0.66 0.00 0.00 57.16 55.76 1nwb n GLU 30 Cb 0.54 -1.18 -0.02 0.00 0.27 0.00 0.00 31.44 31.05 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 0.22 -1.86 -4.82 4.31 5.15 -1.26 -4.79 115.26 112.22 1nwb n ASN 31 Ca 0.07 -2.85 -0.31 0.00 -0.60 0.00 0.00 54.58 50.89 1nwb n ASN 31 Cb 0.34 0.74 0.06 0.00 -0.53 0.00 0.00 39.78 40.40 1nwb n ASN 31 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1nwb s PRO 32 N 0.20 2.71 -0.18 1.20 0.04 -1.26 -4.76 135.00 132.94 1nwb s PRO 32 Ca 0.32 0.87 -0.01 0.00 0.04 0.00 0.00 61.00 62.22 1nwb s PRO 32 Cb 0.11 -1.97 0.05 0.00 0.04 0.00 0.00 34.50 32.73 1nwb s PRO 32 CO -0.15 -1.24 -0.02 0.42 0.04 0.00 0.00 177.00 176.05 1nwb s ILE 33 N -3.08 0.96 -0.43 0.56 1.01 -1.25 -0.88 121.20 118.09 1nwb s ILE 33 Ca 0.59 -0.68 -0.23 0.00 0.00 0.00 0.00 60.65 60.33 1nwb s ILE 33 Cb -0.14 -1.26 0.02 0.00 0.01 0.00 0.00 42.46 41.09 1nwb s ILE 33 CO 0.55 -0.02 0.76 -0.76 0.00 0.00 0.00 174.94 175.46 1nwb s LEU 34 N 1.68 4.28 -0.25 2.97 2.01 -0.95 -2.48 118.68 125.93 1nwb s LEU 34 Ca -0.01 -0.08 -0.12 0.00 0.01 0.00 0.00 54.13 53.93 1nwb s LEU 34 Cb -0.16 -2.93 -0.05 0.00 0.01 0.00 0.00 46.19 43.06 1nwb s LEU 34 CO -0.07 -0.86 0.22 -0.60 1.01 0.00 0.00 176.35 176.04 1nwb s ARG 35 N 3.17 4.03 -0.11 1.70 3.52 -1.22 -0.60 118.95 129.45 1nwb s ARG 35 Ca 0.29 -0.21 -0.22 0.00 -0.13 0.00 0.00 55.73 55.46 1nwb s ARG 35 Cb -0.13 -3.60 -0.03 0.00 -1.56 0.00 0.00 34.95 29.63 1nwb s ARG 35 CO 0.21 -0.08 0.65 0.42 -0.81 0.00 0.00 175.30 175.69 1nwb s ILE 36 N 1.46 5.06 -0.17 4.11 1.09 -1.04 -4.41 121.20 127.29 1nwb s ILE 36 Ca 0.09 1.30 -0.07 0.00 -1.10 0.00 0.00 60.65 60.87 1nwb s ILE 36 Cb -0.15 -3.98 0.07 0.00 -1.06 0.00 0.00 42.46 37.35 1nwb s ILE 36 CO 0.08 0.22 0.38 -0.60 -0.10 0.00 0.00 174.94 174.93 1nwb s ARG 37 N 1.09 0.31 0.05 2.79 3.52 -1.26 -2.88 118.95 122.57 1nwb s ARG 37 Ca 0.33 0.88 -0.30 0.00 -0.13 0.00 0.00 55.73 56.52 1nwb s ARG 37 Cb -0.17 0.13 -0.09 0.00 -1.56 0.00 0.00 34.95 33.27 1nwb s ARG 37 CO 0.14 -0.22 1.97 0.08 -0.81 0.00 0.00 175.30 176.46 1nwb s VAL 38 N 2.10 2.96 -0.32 7.11 1.01 -1.26 -4.40 120.40 127.61 1nwb s VAL 38 Ca -0.04 0.01 -0.15 0.00 0.00 0.00 0.00 61.98 61.79 1nwb s VAL 38 Cb -0.11 -3.00 -0.02 0.00 0.00 0.00 0.00 36.38 33.25 1nwb s VAL 38 CO -0.12 -0.00 0.37 0.54 0.00 0.00 0.00 175.10 175.89 1nwb s VAL 39 N 4.32 5.16 -1.12 2.92 0.11 -1.26 -4.98 120.40 125.55 1nwb s VAL 39 Ca 0.88 0.25 -0.19 0.00 -2.93 0.00 0.00 61.98 59.99 1nwb s VAL 39 Cb -0.43 -3.78 -0.05 0.00 -1.53 0.00 0.00 36.38 30.58 1nwb s VAL 39 CO 0.41 -0.01 2.02 -0.81 -3.33 0.00 0.00 175.10 173.39 1nwb n PRO 40 N 5.39 2.19 -3.58 1.54 -0.04 -1.26 -4.76 135.00 134.47 1nwb n PRO 40 Ca -0.09 -2.34 -0.29 0.00 -0.04 0.00 0.00 63.50 60.74 1nwb n PRO 40 Cb 0.50 -3.20 -0.15 0.00 -0.04 0.00 0.00 33.50 30.61 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 4.40 0.65 0.00 0.55 0.00 -1.26 -5.03 107.32 106.63 1nwb s GLY 41 Ca 0.54 -1.26 0.00 0.00 0.00 0.00 0.00 44.72 44.00 1nwb s GLY 41 CO 0.04 1.96 0.00 0.61 0.00 0.00 0.00 173.10 175.71 1nwb n GLY 42 N 5.11 -1.83 0.00 0.20 0.00 -1.25 -4.10 105.19 103.31 1nwb n GLY 42 Ca -0.04 -0.83 0.13 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.51 2.28 -4.07 0.00 7.64 -1.26 -4.93 113.62 111.77 1nwb n SER 44 Ca 0.07 -0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.62 1nwb n SER 44 Cb 0.32 -0.34 -0.15 0.00 -1.01 0.00 0.00 64.21 63.02 1nwb n SER 44 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1nwb s GLY 45 N -5.55 1.52 -0.24 0.23 0.00 -1.23 -5.09 107.32 96.96 1nwb s GLY 45 Ca -0.24 -1.54 -0.19 0.00 0.00 0.00 0.00 44.72 42.76 1nwb s GLY 45 CO 0.37 0.55 0.61 -0.11 0.00 0.00 0.00 173.10 174.53 1nwb s PHE 46 N 1.20 -0.76 0.16 1.90 -0.71 -1.26 -3.93 117.98 114.59 1nwb s PHE 46 Ca -0.04 1.73 0.02 0.00 -1.04 0.00 0.00 56.93 57.60 1nwb s PHE 46 Cb -0.18 0.33 -0.05 0.00 -1.21 0.00 0.00 43.02 41.91 1nwb s PHE 46 CO -0.07 -0.37 -0.01 1.14 -1.34 0.00 0.00 175.22 174.56 1nwb s GLN 47 N 0.73 1.07 -0.60 1.99 0.00 -1.26 -4.94 119.66 116.64 1nwb s GLN 47 Ca -0.03 -1.50 -0.23 0.00 -0.00 0.00 0.00 55.36 53.60 1nwb s GLN 47 Cb -0.05 -0.25 0.06 0.00 0.00 0.00 0.00 33.01 32.77 1nwb s GLN 47 CO -0.05 -0.11 0.90 0.71 0.00 0.00 0.00 175.29 176.74 1nwb s TYR 48 N -3.66 2.77 0.17 9.60 2.02 -1.26 -4.37 117.35 122.62 1nwb s TYR 48 Ca 0.22 -0.37 -0.27 0.00 -0.37 0.00 0.00 57.07 56.28 1nwb s TYR 48 Cb 0.06 -4.11 -0.08 0.00 -0.40 0.00 0.00 41.96 37.43 1nwb s TYR 48 CO 0.03 -1.45 0.84 0.00 -1.57 0.00 0.00 175.55 173.40 1nwb s ALA 49 N 3.80 3.39 0.33 3.71 0.00 -1.26 -4.79 121.76 126.94 1nwb s ALA 49 Ca 0.24 0.45 0.08 0.00 0.00 0.00 0.00 51.96 52.73 1nwb s ALA 49 Cb -0.16 -3.07 -0.06 0.00 0.00 0.00 0.00 23.12 19.83 1nwb s ALA 49 CO 0.14 0.21 -0.07 0.00 0.00 0.00 0.00 175.76 176.04 1nwb s MET 50 N -0.90 1.76 0.00 0.00 0.23 -1.26 -4.32 119.30 114.81 1nwb s MET 50 Ca 0.39 -1.92 0.00 0.00 -1.03 0.00 0.00 55.69 53.13 1nwb s MET 50 Cb -0.24 -1.51 0.00 0.00 -1.53 0.00 0.00 34.83 31.55 1nwb s MET 50 CO 0.28 0.08 0.00 0.41 -2.03 0.00 0.00 175.02 173.75 1nwb n GLY 51 N -0.75 0.73 3.63 3.16 0.00 -1.26 -4.95 105.19 105.74 1nwb n GLY 51 Ca -0.05 -0.70 -0.43 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.00 2.11 0.78 1.61 -0.71 -1.22 -3.37 117.98 115.18 1nwb s PHE 52 Ca 0.00 0.54 -0.07 0.00 -1.04 0.00 0.00 56.93 56.36 1nwb s PHE 52 Cb 0.00 -3.97 0.12 0.00 -1.21 0.00 0.00 43.02 37.96 1nwb s PHE 52 CO 0.00 -2.95 1.09 0.16 -1.34 0.00 0.00 175.22 172.18 1nwb s ASP 53 N 4.15 4.21 0.14 1.98 1.47 -1.04 -4.91 116.67 122.67 1nwb s ASP 53 Ca 0.71 0.14 -0.13 0.00 1.18 0.00 0.00 52.55 54.45 1nwb s ASP 53 Cb -0.25 -0.54 -0.01 0.00 -0.34 0.00 0.00 42.92 41.78 1nwb s ASP 53 CO 0.29 -1.98 1.55 -0.78 0.68 0.00 0.00 175.17 174.93 1nwb h ASP 54 N -0.85 0.85 -2.43 2.11 3.58 -1.94 -3.45 116.42 114.29 1nwb h ASP 54 Ca -0.42 -0.36 0.06 0.00 0.42 0.00 0.00 57.03 56.74 1nwb h ASP 54 Cb 1.28 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 42.09 1nwb h ASP 54 CO 0.48 1.00 0.38 1.07 -2.88 0.00 0.00 179.24 179.29 1nwb n THR 55 N -4.29 0.00 -2.60 2.25 5.66 -1.26 -5.13 114.28 108.91 1nwb n THR 55 Ca -0.00 -0.64 -0.31 0.00 -3.05 0.00 0.00 64.05 60.05 1nwb n THR 55 Cb 0.37 0.74 -0.03 0.00 -1.55 0.00 0.00 70.33 69.86 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 -2.19 4.71 0.69 1.08 0.11 -1.26 -5.07 120.40 118.47 1nwb s VAL 56 Ca 0.17 0.80 -0.06 0.00 -2.93 0.00 0.00 61.98 59.96 1nwb s VAL 56 Cb -0.03 -3.75 0.06 0.00 -1.53 0.00 0.00 36.38 31.12 1nwb s VAL 56 CO 0.07 -0.66 0.99 -1.61 -3.33 0.00 0.00 175.10 170.57 1nwb s GLU 57 N -4.11 2.24 -0.08 1.54 2.02 -1.26 -4.95 118.70 114.09 1nwb s GLU 57 Ca 0.54 -0.29 0.04 0.00 0.02 0.00 0.00 54.97 55.28 1nwb s GLU 57 Cb -0.10 -2.20 0.25 0.00 0.10 0.00 0.00 34.13 32.18 1nwb s GLU 57 CO 0.34 -1.19 0.92 -1.91 0.02 0.00 0.00 175.26 173.45 1nwb n GLU 58 N -2.87 2.13 -2.44 1.61 4.07 -1.26 -3.87 120.64 118.01 1nwb n GLU 58 Ca 0.08 -0.96 -0.03 0.00 -0.06 0.00 0.00 57.16 56.19 1nwb n GLU 58 Cb 0.60 -1.70 0.01 0.00 -0.06 0.00 0.00 31.44 30.29 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 0.17 -0.46 3.14 8.31 0.00 -1.26 -5.13 105.19 109.97 1nwb n GLY 59 Ca 0.09 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.28 2.91 -0.51 1.61 2.15 -1.25 -4.51 116.67 116.79 1nwb s ASP 60 Ca 0.04 -0.55 -0.27 0.00 0.43 0.00 0.00 52.55 52.21 1nwb s ASP 60 Cb 0.10 -1.34 -0.04 0.00 -0.30 0.00 0.00 42.92 41.34 1nwb s ASP 60 CO -0.02 0.07 2.11 -1.00 -0.17 0.00 0.00 175.17 176.16 1nwb s HIS 61 N 0.80 1.39 -0.19 -5.34 3.76 -1.24 -4.85 115.29 109.61 1nwb s HIS 61 Ca -0.09 1.09 -0.29 0.00 -0.15 0.00 0.00 55.06 55.62 1nwb s HIS 61 Cb -0.16 -3.87 -0.01 0.00 1.11 0.00 0.00 32.58 29.66 1nwb s HIS 61 CO -0.00 -2.58 1.21 0.54 -0.85 0.00 0.00 174.74 173.06 1nwb s VAL 62 N 10.16 4.37 -0.26 -0.90 0.11 -1.25 -3.61 120.40 129.03 1nwb s VAL 62 Ca 0.83 1.66 -0.01 0.00 -2.93 0.00 0.00 61.98 61.53 1nwb s VAL 62 Cb -0.17 -4.08 0.04 0.00 -1.53 0.00 0.00 36.38 30.63 1nwb s VAL 62 CO 0.25 -0.16 -0.05 0.12 -3.33 0.00 0.00 175.10 171.93 1nwb s PHE 63 N 3.46 3.14 0.15 1.54 2.19 0.49 -4.49 117.98 124.46 1nwb s PHE 63 Ca 0.52 -1.71 -0.30 0.00 0.33 0.00 0.00 56.93 55.77 1nwb s PHE 63 Cb -0.20 -2.06 -0.08 0.00 -1.31 0.00 0.00 43.02 39.37 1nwb s PHE 63 CO 0.13 -0.76 1.28 -1.21 1.83 0.00 0.00 175.22 176.48 1nwb s GLU 64 N 1.29 4.41 0.00 10.12 2.02 -1.26 -0.46 118.70 134.81 1nwb s GLU 64 Ca -0.02 1.97 0.00 0.00 0.02 0.00 0.00 54.97 56.94 1nwb s GLU 64 Cb -0.18 -3.24 0.00 0.00 0.10 0.00 0.00 34.13 30.81 1nwb s GLU 64 CO -0.04 -0.25 0.00 0.66 0.02 0.00 0.00 175.26 175.65 1nwb n TYR 65 N 3.10 0.00 -1.01 1.61 4.01 0.38 -4.94 117.16 120.31 1nwb n TYR 65 Ca 0.07 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.39 1nwb n TYR 65 Cb 0.44 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.39 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 -0.30 2.05 -0.23 7.72 2.03 -1.26 -3.21 116.55 123.34 1nwb n ASP 66 Ca 0.00 -2.62 -0.03 0.00 0.52 0.00 0.00 54.79 52.66 1nwb n ASP 66 Cb 0.00 -0.97 -0.01 0.00 -0.72 0.00 0.00 41.12 39.41 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 4.79 0.62 3.24 0.27 0.00 -1.26 -5.01 105.19 107.83 1nwb n GLY 67 Ca 0.48 -0.64 -0.14 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.06 1.12 0.04 1.61 1.01 -1.20 -4.56 120.40 116.36 1nwb s VAL 68 Ca 0.00 -2.01 0.04 0.00 0.00 0.00 0.00 61.98 60.01 1nwb s VAL 68 Cb 0.00 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 1nwb s VAL 68 CO 0.00 -0.73 -0.04 -0.75 0.00 0.00 0.00 175.10 173.58 1nwb s LYS 69 N -3.64 2.54 0.03 2.72 2.20 -0.06 0.14 119.74 123.68 1nwb s LYS 69 Ca 0.15 -0.77 0.02 0.00 -0.36 0.00 0.00 55.97 55.01 1nwb s LYS 69 Cb 0.02 -2.52 -0.02 0.00 -1.51 0.00 0.00 37.83 33.80 1nwb s LYS 69 CO 0.00 0.58 -0.06 0.08 -0.36 0.00 0.00 175.35 175.59 1nwb s VAL 70 N -1.12 0.44 0.07 4.02 1.01 0.39 -2.24 120.40 122.96 1nwb s VAL 70 Ca 0.20 -0.94 -0.06 0.00 0.00 0.00 0.00 61.98 61.19 1nwb s VAL 70 Cb -0.11 -0.50 -0.02 0.00 0.00 0.00 0.00 36.38 35.75 1nwb s VAL 70 CO 0.12 -0.35 0.10 0.68 0.00 0.00 0.00 175.10 175.65 1nwb s VAL 71 N -1.24 0.17 -0.06 2.92 -7.23 0.24 0.18 120.40 115.38 1nwb s VAL 71 Ca -0.10 -1.39 -0.03 0.00 -1.81 0.00 0.00 61.98 58.64 1nwb s VAL 71 Cb -0.09 -1.37 0.03 0.00 0.56 0.00 0.00 36.38 35.52 1nwb s VAL 71 CO 0.00 -0.77 0.15 -0.63 -0.31 0.00 0.00 175.10 173.54 1nwb s ILE 72 N -3.77 -0.04 0.88 -0.62 1.01 -1.24 -2.51 121.20 114.92 1nwb s ILE 72 Ca 0.05 0.13 -0.12 0.00 0.00 0.00 0.00 60.65 60.71 1nwb s ILE 72 Cb 0.05 -0.23 0.11 0.00 0.01 0.00 0.00 42.46 42.40 1nwb s ILE 72 CO -0.10 0.05 1.03 0.47 0.00 0.00 0.00 174.94 176.40 1nwb n ASP 73 N 3.87 0.14 0.20 3.58 9.92 -1.14 -3.74 116.55 129.39 1nwb n ASP 73 Ca -0.23 0.46 0.08 0.00 -0.53 0.00 0.00 54.79 54.58 1nwb n ASP 73 Cb 0.54 -1.44 0.30 0.00 -0.64 0.00 0.00 41.12 39.88 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 -1.49 0.00 0.00 -0.24 0.13 -1.93 0.29 132.00 128.76 1nwb h PRO 74 Ca -0.44 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.45 1nwb h PRO 74 Cb 1.28 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.37 1nwb h PRO 74 CO 0.42 0.28 -1.85 1.19 -0.23 0.00 0.00 178.00 177.81 1nwb n PHE 75 N -3.30 0.56 0.10 1.56 3.72 -1.26 -4.12 117.46 114.72 1nwb n PHE 75 Ca 0.01 0.19 0.11 0.00 -0.05 0.00 0.00 57.45 57.71 1nwb n PHE 75 Cb 0.53 -1.01 -0.00 0.00 -0.94 0.00 0.00 39.48 38.06 1nwb n PHE 75 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1nwb h SER 76 N 0.00 0.00 -0.11 4.37 0.02 -1.87 -3.36 113.55 112.60 1nwb h SER 76 Ca -0.29 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.68 1nwb h SER 76 Cb 1.80 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.33 1nwb h SER 76 CO 0.04 0.05 0.01 0.24 -1.14 0.00 0.00 176.83 176.03 1nwb h MET 77 N 0.00 0.05 0.00 3.45 2.86 -0.57 0.97 114.93 121.69 1nwb h MET 77 Ca -0.01 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1nwb h MET 77 Cb 1.05 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.70 1nwb h MET 77 CO 0.00 0.03 0.00 -0.35 1.06 0.00 0.00 176.91 177.66 1nwb n PRO 78 N -5.10 0.75 -0.01 -0.22 -0.04 -1.26 0.16 135.00 129.29 1nwb n PRO 78 Ca -0.05 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.48 1nwb n PRO 78 Cb 0.07 -1.40 -0.11 0.00 -0.04 0.00 0.00 33.50 32.02 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 0.00 -0.31 0.54 4.19 -0.21 -4.51 117.16 115.98 1nwb n TYR 79 Ca 0.14 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.35 1nwb n TYR 79 Cb 0.07 -0.32 0.00 0.00 0.49 0.00 0.00 39.34 39.58 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 -1.98 0.16 -1.32 2.97 0.24 0.16 -5.06 118.33 113.51 1nwb n VAL 80 Ca -0.02 -0.43 -0.36 0.00 -2.04 0.00 0.00 64.34 61.49 1nwb n VAL 80 Cb 0.36 1.15 0.07 0.00 -1.47 0.00 0.00 33.84 33.96 1nwb n VAL 80 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1nwb n ASN 81 N -0.08 -0.42 -4.32 -1.34 2.85 0.43 -2.28 115.26 110.10 1nwb n ASN 81 Ca 0.00 0.64 -0.31 0.00 -0.11 0.00 0.00 54.58 54.80 1nwb n ASN 81 Cb 0.13 -1.30 -0.10 0.00 1.24 0.00 0.00 39.78 39.76 1nwb n ASN 81 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1nwb n GLY 82 N 1.41 -0.13 3.34 8.20 0.00 -1.23 -4.91 105.19 111.87 1nwb n GLY 82 Ca 0.11 0.18 -0.13 0.00 0.00 0.00 0.00 46.02 46.19 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 -4.38 -1.09 0.26 4.61 0.00 -0.97 -4.79 121.76 115.40 1nwb s ALA 83 Ca 0.00 0.37 0.08 0.00 0.00 0.00 0.00 51.96 52.42 1nwb s ALA 83 Cb -0.00 0.37 -0.04 0.00 0.00 0.00 0.00 23.12 23.45 1nwb s ALA 83 CO 1.00 -0.48 0.10 -1.21 0.00 0.00 0.00 175.76 175.17 1nwb s GLU 84 N -2.51 2.61 -0.22 0.00 2.02 -1.26 -3.96 118.70 115.38 1nwb s GLU 84 Ca -0.05 -1.24 -0.02 0.00 0.02 0.00 0.00 54.97 53.68 1nwb s GLU 84 Cb -0.01 -2.36 0.06 0.00 0.10 0.00 0.00 34.13 31.93 1nwb s GLU 84 CO -0.03 0.38 0.02 -1.17 0.02 0.00 0.00 175.26 174.49 1nwb s LEU 85 N -3.76 1.57 -0.24 1.80 2.96 -1.20 -2.80 118.68 117.01 1nwb s LEU 85 Ca 0.32 -0.98 -0.15 0.00 -0.22 0.00 0.00 54.13 53.09 1nwb s LEU 85 Cb -0.07 -0.74 -0.04 0.00 0.50 0.00 0.00 46.19 45.84 1nwb s LEU 85 CO 0.22 -0.30 0.38 -0.62 -1.32 0.00 0.00 176.35 174.71 1nwb s ASP 86 N 1.74 6.32 -0.09 3.68 -1.08 0.45 -3.84 116.67 123.85 1nwb s ASP 86 Ca -0.01 0.37 -0.25 0.00 -0.52 0.00 0.00 52.55 52.14 1nwb s ASP 86 Cb -0.17 -2.22 -0.03 0.00 -1.46 0.00 0.00 42.92 39.04 1nwb s ASP 86 CO -0.10 -0.14 0.78 -0.47 0.52 0.00 0.00 175.17 175.76 1nwb s TYR 87 N 1.78 3.54 0.62 -5.34 5.04 -1.26 -0.01 117.35 121.72 1nwb s TYR 87 Ca 0.16 1.31 -0.16 0.00 -2.44 0.00 0.00 57.07 55.95 1nwb s TYR 87 Cb -0.15 -2.91 -0.02 0.00 0.35 0.00 0.00 41.96 39.22 1nwb s TYR 87 CO 0.09 -0.03 1.08 0.08 -1.34 0.00 0.00 175.55 175.43 1nwb s VAL 88 N 1.24 3.59 -0.12 3.14 1.01 0.15 -4.61 120.40 124.79 1nwb s VAL 88 Ca 0.40 0.75 0.00 0.00 0.00 0.00 0.00 61.98 63.13 1nwb s VAL 88 Cb -0.18 -3.28 0.02 0.00 0.00 0.00 0.00 36.38 32.95 1nwb s VAL 88 CO 0.18 -0.44 -0.10 -0.69 0.00 0.00 0.00 175.10 174.04 1nwb s VAL 89 N -2.40 1.20 0.18 2.92 1.01 -1.26 -2.38 120.40 119.67 1nwb s VAL 89 Ca 0.65 -0.41 -0.24 0.00 0.00 0.00 0.00 61.98 61.98 1nwb s VAL 89 Cb -0.18 -1.17 0.06 0.00 0.00 0.00 0.00 36.38 35.09 1nwb s VAL 89 CO 0.38 0.39 0.93 -1.81 0.00 0.00 0.00 175.10 174.99 1nwb s ASP 90 N 1.55 -0.17 0.00 3.32 1.11 -1.26 -4.73 116.67 116.49 1nwb s ASP 90 Ca 0.03 -0.48 0.00 0.00 0.18 0.00 0.00 52.55 52.28 1nwb s ASP 90 Cb -0.13 0.54 0.00 0.00 1.07 0.00 0.00 42.92 44.40 1nwb s ASP 90 CO -0.08 -1.00 0.00 0.33 1.18 0.00 0.00 175.17 175.60 1nwb n PHE 91 N -0.49 0.00 0.08 4.23 7.35 -1.26 0.13 117.46 127.50 1nwb n PHE 91 Ca -0.06 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.60 1nwb n PHE 91 Cb 0.60 0.00 0.13 0.00 0.35 0.00 0.00 39.48 40.56 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 10.75 2.13 0.00 -4.13 2.81 -1.26 -4.69 117.12 122.73 1nwb n MET 92 Ca 0.00 -1.36 0.00 0.00 -1.81 0.00 0.00 57.70 54.53 1nwb n MET 92 Cb 0.00 -1.68 0.00 0.00 -0.71 0.00 0.00 33.22 30.83 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 0.02 1.52 0.00 3.03 0.00 0.12 -5.16 105.19 104.71 1nwb n GLY 93 Ca 0.20 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 -2.82 0.00 -0.02 0.00 -0.37 -4.62 105.19 97.36 1nwb n GLY 94 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 4.93 3.18 -0.02 0.00 -1.00 -4.80 105.19 107.48 1nwb n GLY 95 Ca 0.00 -1.93 -0.27 0.00 0.00 0.00 0.00 46.02 43.82 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 1.85 1.78 -0.01 1.61 0.40 -1.26 0.30 117.98 122.65 1nwb s PHE 96 Ca 0.00 -0.43 0.01 0.00 -0.60 0.00 0.00 56.93 55.91 1nwb s PHE 96 Cb 0.00 -1.17 0.01 0.00 0.51 0.00 0.00 43.02 42.37 1nwb s PHE 96 CO 0.00 -0.10 -0.02 0.99 0.70 0.00 0.00 175.22 176.79 1nwb s THR 97 N -0.22 0.24 -0.01 0.64 2.01 0.99 -4.71 115.64 114.58 1nwb s THR 97 Ca 0.02 -0.06 0.08 0.00 0.31 0.00 0.00 61.69 62.03 1nwb s THR 97 Cb -0.10 -0.25 -0.02 0.00 0.01 0.00 0.00 72.50 72.14 1nwb s THR 97 CO 0.01 0.10 -0.25 -0.51 -0.69 0.00 0.00 174.62 173.28 1nwb s ILE 98 N 0.34 1.97 -0.30 1.82 2.07 -1.26 0.17 121.20 126.01 1nwb s ILE 98 Ca -0.03 -1.09 0.02 0.00 -1.41 0.00 0.00 60.65 58.14 1nwb s ILE 98 Cb -0.06 -1.64 0.08 0.00 0.13 0.00 0.00 42.46 40.98 1nwb s ILE 98 CO -0.01 0.53 0.01 -0.13 -1.91 0.00 0.00 174.94 173.43 1nwb s ARG 99 N -0.66 1.51 0.20 3.50 0.52 -1.12 -4.95 118.95 117.95 1nwb s ARG 99 Ca 0.10 -1.46 -0.12 0.00 -0.52 0.00 0.00 55.73 53.73 1nwb s ARG 99 Cb -0.10 -2.82 -0.07 0.00 0.52 0.00 0.00 34.95 32.48 1nwb s ARG 99 CO -0.01 -0.81 0.56 -0.80 0.02 0.00 0.00 175.30 174.26 1nwb s ASN 100 N 1.16 6.70 0.00 0.23 0.01 -1.26 -4.15 114.94 117.63 1nwb s ASN 100 Ca 0.04 0.99 0.24 0.00 -0.71 0.00 0.00 52.86 53.42 1nwb s ASN 100 Cb -0.19 -2.26 1.43 0.00 0.41 0.00 0.00 41.25 40.65 1nwb s ASN 100 CO -0.10 -0.02 1.80 -0.81 -1.51 0.00 0.00 177.10 176.46