#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 -2.17 -2.37 0.03 7.27 -1.26 -5.14 117.38 113.74 1nwb n GLN 2 Ca 0.00 0.00 -0.41 0.00 0.07 0.00 0.00 57.00 56.66 1nwb n GLN 2 Cb 0.00 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 32.61 1nwb n GLN 2 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 1nwb s GLU 3 N -1.18 4.53 -0.17 3.69 2.02 -1.26 -5.02 118.70 121.31 1nwb s GLU 3 Ca 0.00 1.91 -0.07 0.00 0.02 0.00 0.00 54.97 56.83 1nwb s GLU 3 Cb 0.00 -3.19 -0.04 0.00 0.10 0.00 0.00 34.13 31.00 1nwb s GLU 3 CO 0.00 0.03 0.06 -1.14 0.02 0.00 0.00 175.26 174.23 1nwb s GLN 4 N -1.05 3.89 0.05 1.61 2.00 -1.26 -5.07 119.66 119.84 1nwb s GLN 4 Ca 0.48 -0.34 -0.31 0.00 -2.00 0.00 0.00 55.36 53.20 1nwb s GLN 4 Cb -0.34 -3.18 -0.06 0.00 0.80 0.00 0.00 33.01 30.24 1nwb s GLN 4 CO 0.41 0.33 1.21 0.00 -0.50 0.00 0.00 175.29 176.74 1nwb s ALA 5 N 0.22 3.41 -0.30 1.58 0.00 -1.26 -4.71 121.76 120.70 1nwb s ALA 5 Ca 0.04 0.84 -0.15 0.00 0.00 0.00 0.00 51.96 52.69 1nwb s ALA 5 Cb -0.12 -3.45 0.15 0.00 0.00 0.00 0.00 23.12 19.70 1nwb s ALA 5 CO 0.00 -0.47 0.97 1.14 0.00 0.00 0.00 175.76 177.40 1nwb s GLN 6 N 1.16 0.35 -0.34 0.00 -2.07 -1.26 -5.06 119.66 112.43 1nwb s GLN 6 Ca 0.59 0.74 0.04 0.00 -1.82 0.00 0.00 55.36 54.90 1nwb s GLN 6 Cb -0.29 0.30 0.10 0.00 -1.09 0.00 0.00 33.01 32.02 1nwb s GLN 6 CO 0.29 -0.10 0.05 -1.14 -1.32 0.00 0.00 175.29 173.08 1nwb s GLN 7 N 1.98 1.41 0.55 9.60 0.74 -1.26 -4.16 119.66 128.52 1nwb s GLN 7 Ca -0.06 -1.80 -0.08 0.00 0.05 0.00 0.00 55.36 53.47 1nwb s GLN 7 Cb -0.05 -3.09 -0.04 0.00 1.10 0.00 0.00 33.01 30.93 1nwb s GLN 7 CO -0.16 -0.94 0.91 -0.06 -0.55 0.00 0.00 175.29 174.48 1nwb s PHE 8 N 0.97 3.59 -0.34 1.67 0.08 -1.26 -4.98 117.98 117.70 1nwb s PHE 8 Ca 0.11 1.06 -0.29 0.00 0.12 0.00 0.00 56.93 57.93 1nwb s PHE 8 Cb -0.19 -2.52 -0.01 0.00 -0.57 0.00 0.00 43.02 39.74 1nwb s PHE 8 CO -0.10 -0.48 1.61 0.42 -0.10 0.00 0.00 175.22 176.58 1nwb s ILE 9 N -2.95 3.69 -0.15 0.64 -1.09 -1.26 -4.94 121.20 115.14 1nwb s ILE 9 Ca 0.51 0.72 -0.27 0.00 -2.23 0.00 0.00 60.65 59.38 1nwb s ILE 9 Cb -0.11 -3.88 0.07 0.00 -1.58 0.00 0.00 42.46 36.96 1nwb s ILE 9 CO 0.49 -0.53 0.67 0.12 -1.23 0.00 0.00 174.94 174.46 1nwb s PHE 10 N 6.01 -0.69 -0.07 3.97 5.36 -1.26 -3.69 117.98 127.60 1nwb s PHE 10 Ca 0.71 1.44 -0.03 0.00 -0.96 0.00 0.00 56.93 58.09 1nwb s PHE 10 Cb -0.19 0.32 0.04 0.00 -0.34 0.00 0.00 43.02 42.85 1nwb s PHE 10 CO 0.32 -0.48 0.17 0.15 -1.46 0.00 0.00 175.22 173.92 1nwb s LYS 11 N -0.43 0.11 -0.05 10.12 3.01 -1.25 -5.01 119.74 126.23 1nwb s LYS 11 Ca -0.06 0.42 0.01 0.00 -1.01 0.00 0.00 55.97 55.34 1nwb s LYS 11 Cb -0.03 -0.18 0.02 0.00 -1.01 0.00 0.00 37.83 36.64 1nwb s LYS 11 CO 0.05 -0.18 -0.06 0.54 0.51 0.00 0.00 175.35 176.21 1nwb s VAL 12 N 1.32 0.67 1.06 3.17 0.11 -1.26 -0.07 120.40 125.40 1nwb s VAL 12 Ca -0.08 -0.19 -0.12 0.00 -2.93 0.00 0.00 61.98 58.66 1nwb s VAL 12 Cb -0.11 -0.68 0.23 0.00 -1.53 0.00 0.00 36.38 34.28 1nwb s VAL 12 CO -0.06 0.26 1.07 0.42 -3.33 0.00 0.00 175.10 173.46 1nwb s THR 13 N 0.97 2.11 0.38 5.04 -4.23 -1.22 -4.75 115.64 113.95 1nwb s THR 13 Ca -0.10 0.04 0.11 0.00 -1.18 0.00 0.00 61.69 60.55 1nwb s THR 13 Cb -0.14 -2.15 0.14 0.00 1.34 0.00 0.00 72.50 71.68 1nwb s THR 13 CO 0.00 -0.05 1.89 0.44 -0.54 0.00 0.00 174.62 176.36 1nwb h ASP 14 N -2.28 0.14 -0.62 3.99 5.19 -1.98 -1.63 116.42 119.23 1nwb h ASP 14 Ca -0.55 -0.03 0.05 0.00 -0.62 0.00 0.00 57.03 55.87 1nwb h ASP 14 Cb 1.31 -0.04 -0.05 0.00 0.18 0.00 0.00 39.33 40.73 1nwb h ASP 14 CO 0.49 0.37 0.35 0.50 -3.12 0.00 0.00 179.24 177.83 1nwb h LYS 15 N 0.14 0.65 0.08 3.56 1.63 -1.94 1.56 116.57 122.24 1nwb h LYS 15 Ca 0.02 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1nwb h LYS 15 Cb 0.47 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.96 1nwb h LYS 15 CO 0.03 0.43 -0.04 0.00 -3.45 0.00 0.00 179.45 176.42 1nwb h ALA 16 N 1.31 -0.11 -0.35 5.00 0.00 -1.73 0.38 119.26 123.75 1nwb h ALA 16 Ca 0.27 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1nwb h ALA 16 Cb 0.13 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 1nwb h ALA 16 CO -0.15 -0.33 0.06 0.28 0.00 0.00 0.00 179.25 179.11 1nwb h VAL 17 N -0.57 0.82 -0.52 0.00 2.07 -0.93 -1.71 116.25 115.41 1nwb h VAL 17 Ca -0.01 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.46 1nwb h VAL 17 Cb 0.47 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1nwb h VAL 17 CO 0.02 0.03 0.32 -0.08 0.02 0.00 0.00 177.57 177.88 1nwb h GLU 18 N 0.18 0.63 -1.21 1.57 4.22 0.22 -1.30 114.58 118.90 1nwb h GLU 18 Ca 0.17 -0.04 0.35 0.00 0.08 0.00 0.00 59.36 59.92 1nwb h GLU 18 Cb 0.19 -0.14 -0.10 0.00 0.50 0.00 0.00 28.75 29.20 1nwb h GLU 18 CO -0.22 0.42 0.80 1.49 -2.18 0.00 0.00 179.01 179.31 1nwb h GLU 19 N 0.65 0.20 0.14 1.92 4.22 0.02 1.32 114.58 123.04 1nwb h GLU 19 Ca 0.20 -0.01 -0.28 0.00 0.08 0.00 0.00 59.36 59.35 1nwb h GLU 19 Cb -0.02 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.20 1nwb h GLU 19 CO -0.07 0.13 -1.25 0.82 -2.18 0.00 0.00 179.01 176.45 1nwb h ILE 20 N 0.20 1.46 -0.64 2.32 1.08 -0.99 -2.86 117.51 118.08 1nwb h ILE 20 Ca 0.68 -2.95 0.09 0.00 -0.39 0.00 0.00 64.86 62.30 1nwb h ILE 20 Cb 2.11 2.91 -0.04 0.00 -3.07 0.00 0.00 36.82 38.74 1nwb h ILE 20 CO -0.28 0.87 0.42 0.11 -0.69 0.00 0.00 178.15 178.58 1nwb h LYS 21 N 0.10 0.49 -0.05 2.37 1.79 0.23 1.04 116.57 122.56 1nwb h LYS 21 Ca -0.15 -0.03 -0.20 0.00 -2.18 0.00 0.00 60.65 58.09 1nwb h LYS 21 Cb 1.97 -0.11 0.01 0.00 -1.58 0.00 0.00 32.23 32.52 1nwb h LYS 21 CO 0.21 0.33 -0.74 -0.22 -1.08 0.00 0.00 179.45 177.95 1nwb h LYS 22 N 0.51 0.58 -0.68 3.15 3.64 -1.06 0.63 116.57 123.35 1nwb h LYS 22 Ca 0.29 -0.56 -0.07 0.00 -1.27 0.00 0.00 60.65 59.03 1nwb h LYS 22 Cb 0.46 0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.40 1nwb h LYS 22 CO -0.09 1.18 0.13 0.28 -2.27 0.00 0.00 179.45 178.68 1nwb h VAL 23 N 0.19 1.26 -0.03 2.00 2.07 -0.87 -0.56 116.25 120.31 1nwb h VAL 23 Ca -0.08 -1.01 -0.23 0.00 0.82 0.00 0.00 66.70 66.20 1nwb h VAL 23 Cb 1.41 0.61 0.02 0.00 -1.52 0.00 0.00 31.29 31.81 1nwb h VAL 23 CO 0.15 0.38 -0.89 0.00 0.02 0.00 0.00 177.57 177.23 1nwb h ALA 24 N 1.06 0.15 -0.59 1.67 0.00 0.10 -3.01 119.26 118.64 1nwb h ALA 24 Ca 0.21 -0.65 0.08 0.00 0.00 0.00 0.00 54.91 54.55 1nwb h ALA 24 Cb 0.42 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 1nwb h ALA 24 CO 0.01 0.60 0.25 1.96 0.00 0.00 0.00 179.25 182.07 1nwb h GLN 25 N 0.31 0.44 0.00 0.00 1.08 0.51 1.29 115.11 118.74 1nwb h GLN 25 Ca -0.10 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.07 1nwb h GLN 25 Cb 1.55 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.88 1nwb h GLN 25 CO 0.18 0.29 0.00 1.49 -0.95 0.00 0.00 178.83 179.84 1nwb h GLU 26 N 0.45 0.00 -0.25 1.46 4.81 -1.13 -0.21 114.58 119.72 1nwb h GLU 26 Ca 0.29 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1nwb h GLU 26 Cb 0.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1nwb h GLU 26 CO -0.26 0.00 0.00 0.09 -0.73 0.00 0.00 179.01 178.11 1nwb n ASN 27 N -3.06 2.93 -2.65 1.04 3.02 0.11 -4.94 115.26 111.71 1nwb n ASN 27 Ca -0.01 -1.86 -0.21 0.00 -0.03 0.00 0.00 54.58 52.47 1nwb n ASN 27 Cb 0.21 -0.16 0.01 0.00 -0.61 0.00 0.00 39.78 39.24 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 1.08 -5.95 -4.81 6.41 5.15 0.30 -4.96 115.26 112.48 1nwb n ASN 28 Ca 0.14 -0.15 -0.38 0.00 -0.60 0.00 0.00 54.58 53.59 1nwb n ASN 28 Cb 0.49 -4.86 -0.06 0.00 -0.53 0.00 0.00 39.78 34.82 1nwb n ASN 28 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1nwb s ILE 29 N -3.10 5.17 -0.72 -1.44 1.01 0.37 -4.96 121.20 117.53 1nwb s ILE 29 Ca 0.15 0.71 0.07 0.00 0.00 0.00 0.00 60.65 61.58 1nwb s ILE 29 Cb -0.07 -3.67 0.12 0.00 0.01 0.00 0.00 42.46 38.86 1nwb s ILE 29 CO 0.19 0.52 0.94 1.21 0.00 0.00 0.00 174.94 177.79 1nwb n GLU 30 N 2.42 1.46 -2.96 2.79 2.13 -1.26 -4.09 120.64 121.14 1nwb n GLU 30 Ca -0.13 -1.38 -0.15 0.00 0.66 0.00 0.00 57.16 56.16 1nwb n GLU 30 Cb 0.52 -1.15 -0.01 0.00 0.27 0.00 0.00 31.44 31.08 1nwb n GLU 30 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1nwb n ASN 31 N 0.26 -1.74 -4.67 4.31 3.02 -1.26 -4.98 115.26 110.19 1nwb n ASN 31 Ca 0.06 -2.96 -0.43 0.00 -0.03 0.00 0.00 54.58 51.22 1nwb n ASN 31 Cb 0.27 0.78 -0.02 0.00 -0.61 0.00 0.00 39.78 40.19 1nwb n ASN 31 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1nwb s PRO 32 N 0.05 4.28 -0.61 3.52 0.04 -1.26 -4.85 135.00 136.18 1nwb s PRO 32 Ca 0.33 1.68 -0.12 0.00 0.04 0.00 0.00 61.00 62.93 1nwb s PRO 32 Cb 0.16 -3.67 0.15 0.00 0.04 0.00 0.00 34.50 31.18 1nwb s PRO 32 CO -0.17 -0.59 0.52 0.42 0.04 0.00 0.00 177.00 177.21 1nwb s ILE 33 N 2.91 4.84 -0.01 0.56 1.01 -1.26 -2.92 121.20 126.33 1nwb s ILE 33 Ca 0.56 -2.01 -0.17 0.00 0.00 0.00 0.00 60.65 59.02 1nwb s ILE 33 Cb -0.23 -4.10 -0.06 0.00 0.01 0.00 0.00 42.46 38.08 1nwb s ILE 33 CO 0.18 -0.88 0.47 -0.76 0.00 0.00 0.00 174.94 173.95 1nwb s LEU 34 N 0.95 4.44 0.13 2.97 2.01 -1.10 -1.85 118.68 126.24 1nwb s LEU 34 Ca 0.09 1.01 0.05 0.00 0.01 0.00 0.00 54.13 55.30 1nwb s LEU 34 Cb -0.22 -2.71 -0.04 0.00 0.01 0.00 0.00 46.19 43.23 1nwb s LEU 34 CO -0.02 0.22 0.05 -0.60 1.01 0.00 0.00 176.35 177.01 1nwb s ARG 35 N -0.62 2.64 -0.11 1.70 3.52 -1.21 -1.15 118.95 123.72 1nwb s ARG 35 Ca 0.26 -0.90 -0.21 0.00 -0.13 0.00 0.00 55.73 54.74 1nwb s ARG 35 Cb -0.17 -2.54 -0.04 0.00 -1.56 0.00 0.00 34.95 30.64 1nwb s ARG 35 CO 0.14 0.50 0.62 0.42 -0.81 0.00 0.00 175.30 176.17 1nwb s ILE 36 N -1.55 5.09 -0.19 4.11 -1.09 0.15 -4.37 121.20 123.34 1nwb s ILE 36 Ca 0.28 1.24 -0.07 0.00 -2.23 0.00 0.00 60.65 59.87 1nwb s ILE 36 Cb -0.11 -3.95 0.09 0.00 -1.58 0.00 0.00 42.46 36.91 1nwb s ILE 36 CO 0.20 0.24 0.41 -0.60 -1.23 0.00 0.00 174.94 173.96 1nwb s ARG 37 N 0.98 0.31 -0.07 2.79 6.06 -1.26 -3.80 118.95 123.96 1nwb s ARG 37 Ca 0.32 1.00 -0.30 0.00 -2.50 0.00 0.00 55.73 54.25 1nwb s ARG 37 Cb -0.16 0.28 -0.03 0.00 0.06 0.00 0.00 34.95 35.10 1nwb s ARG 37 CO 0.14 -0.25 1.14 0.08 -2.50 0.00 0.00 175.30 173.91 1nwb s VAL 38 N 2.50 4.42 -0.15 7.11 1.01 -1.26 -3.67 120.40 130.36 1nwb s VAL 38 Ca -0.02 1.72 -0.08 0.00 0.00 0.00 0.00 61.98 63.60 1nwb s VAL 38 Cb -0.12 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 1nwb s VAL 38 CO -0.12 0.00 0.13 -0.69 0.00 0.00 0.00 175.10 174.42 1nwb s VAL 39 N 2.12 5.41 -1.24 2.92 1.01 -1.26 -5.00 120.40 124.37 1nwb s VAL 39 Ca 0.54 0.18 -0.20 0.00 0.00 0.00 0.00 61.98 62.49 1nwb s VAL 39 Cb -0.23 -3.39 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 1nwb s VAL 39 CO 0.21 0.55 1.85 -0.81 0.00 0.00 0.00 175.10 176.91 1nwb n PRO 40 N 2.55 2.40 0.12 2.72 -0.04 -1.26 -4.04 135.00 137.45 1nwb n PRO 40 Ca -0.19 -2.84 0.00 0.00 -0.04 0.00 0.00 63.50 60.44 1nwb n PRO 40 Cb 0.54 -3.58 0.00 0.00 -0.04 0.00 0.00 33.50 30.42 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 5.49 -0.44 3.50 0.55 0.00 -1.26 -5.05 105.19 107.98 1nwb n GLY 41 Ca 0.47 0.04 -0.42 0.00 0.00 0.00 0.00 46.02 46.11 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 1.06 0.00 0.19 -0.02 0.00 -1.26 -4.74 105.19 100.44 1nwb n GLY 42 Ca 0.00 0.92 0.07 0.00 0.00 0.00 0.00 46.02 47.01 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 -3.41 2.91 -3.23 0.00 2.88 -1.26 -4.97 113.62 106.54 1nwb n SER 44 Ca 0.00 -0.01 -0.01 0.00 -1.33 0.00 0.00 58.87 57.52 1nwb n SER 44 Cb 0.52 0.53 -0.03 0.00 -0.75 0.00 0.00 64.21 64.47 1nwb n SER 44 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1nwb s GLY 45 N -4.29 -0.83 -0.53 0.46 0.00 -1.24 -5.10 107.32 95.80 1nwb s GLY 45 Ca -0.07 1.22 -0.27 0.00 0.00 0.00 0.00 44.72 45.60 1nwb s GLY 45 CO 0.34 3.19 1.91 -1.36 0.00 0.00 0.00 173.10 177.18 1nwb s PHE 46 N 2.72 1.63 -0.33 1.90 0.08 -1.23 -4.22 117.98 118.53 1nwb s PHE 46 Ca 0.15 0.84 -0.22 0.00 0.12 0.00 0.00 56.93 57.82 1nwb s PHE 46 Cb -0.14 -4.04 0.00 0.00 -0.57 0.00 0.00 43.02 38.27 1nwb s PHE 46 CO -0.22 -2.50 0.71 1.14 -0.10 0.00 0.00 175.22 174.25 1nwb s GLN 47 N 6.83 3.82 -0.33 0.44 0.00 -1.26 -4.78 119.66 124.38 1nwb s GLN 47 Ca 0.74 0.31 -0.28 0.00 -0.00 0.00 0.00 55.36 56.13 1nwb s GLN 47 Cb -0.16 -3.77 0.02 0.00 0.00 0.00 0.00 33.01 29.10 1nwb s GLN 47 CO 0.25 -0.71 1.03 1.52 0.00 0.00 0.00 175.29 177.38 1nwb s TYR 48 N 2.84 3.13 0.59 9.60 -0.85 -1.26 -4.32 117.35 127.08 1nwb s TYR 48 Ca 0.28 1.08 -0.11 0.00 -0.52 0.00 0.00 57.07 57.80 1nwb s TYR 48 Cb -0.14 -3.67 -0.05 0.00 0.38 0.00 0.00 41.96 38.48 1nwb s TYR 48 CO 0.14 -0.77 1.00 0.00 -1.52 0.00 0.00 175.55 174.39 1nwb s ALA 49 N 3.59 3.13 0.65 9.51 0.00 -1.24 -4.78 121.76 132.61 1nwb s ALA 49 Ca 0.43 -0.09 0.01 0.00 0.00 0.00 0.00 51.96 52.31 1nwb s ALA 49 Cb -0.12 -3.04 0.09 0.00 0.00 0.00 0.00 23.12 20.05 1nwb s ALA 49 CO 0.16 -0.59 0.90 -1.64 0.00 0.00 0.00 175.76 174.59 1nwb s MET 50 N -4.98 2.04 0.00 0.00 -1.94 -1.26 -4.30 119.30 108.86 1nwb s MET 50 Ca 0.55 -1.05 0.00 0.00 -1.71 0.00 0.00 55.69 53.48 1nwb s MET 50 Cb -0.11 -2.42 0.00 0.00 2.01 0.00 0.00 34.83 34.32 1nwb s MET 50 CO 0.50 -1.14 0.00 0.41 -0.01 0.00 0.00 175.02 174.78 1nwb n GLY 51 N -2.61 0.89 3.67 -0.03 0.00 -1.26 -4.96 105.19 100.89 1nwb n GLY 51 Ca 0.13 0.45 -0.42 0.00 0.00 0.00 0.00 46.02 46.17 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 2.46 0.51 1.61 -0.71 -1.26 -3.28 117.98 117.31 1nwb s PHE 52 Ca 0.00 0.53 0.09 0.00 -1.04 0.00 0.00 56.93 56.51 1nwb s PHE 52 Cb 0.00 -3.78 0.05 0.00 -1.21 0.00 0.00 43.02 38.08 1nwb s PHE 52 CO 0.00 -3.09 0.70 0.34 -1.34 0.00 0.00 175.22 171.82 1nwb s ASP 53 N 2.52 5.33 0.11 1.98 2.15 -0.77 -4.98 116.67 123.00 1nwb s ASP 53 Ca 0.68 -0.68 -0.17 0.00 0.43 0.00 0.00 52.55 52.82 1nwb s ASP 53 Cb -0.32 -0.10 -0.05 0.00 -0.30 0.00 0.00 42.92 42.15 1nwb s ASP 53 CO 0.27 -1.10 1.55 0.44 -0.17 0.00 0.00 175.17 176.17 1nwb h ASP 54 N 0.38 0.55 -2.67 -0.34 3.32 -1.95 -3.44 116.42 112.27 1nwb h ASP 54 Ca -0.34 -0.30 0.09 0.00 0.02 0.00 0.00 57.03 56.50 1nwb h ASP 54 Cb 1.28 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 1nwb h ASP 54 CO 0.43 0.71 0.46 1.07 -1.72 0.00 0.00 179.24 180.19 1nwb n THR 55 N -4.56 0.00 -2.38 0.35 5.66 -1.26 -5.07 114.28 107.02 1nwb n THR 55 Ca -0.02 -0.71 -0.31 0.00 -3.05 0.00 0.00 64.05 59.95 1nwb n THR 55 Cb 0.25 0.84 -0.02 0.00 -1.55 0.00 0.00 70.33 69.85 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 -2.09 4.62 0.84 1.08 0.11 -1.26 -5.06 120.40 118.64 1nwb s VAL 56 Ca 0.20 1.02 -0.13 0.00 -2.93 0.00 0.00 61.98 60.15 1nwb s VAL 56 Cb -0.04 -3.76 0.10 0.00 -1.53 0.00 0.00 36.38 31.16 1nwb s VAL 56 CO 0.08 -0.76 1.19 -1.61 -3.33 0.00 0.00 175.10 170.67 1nwb s GLU 57 N -4.27 1.67 -0.08 1.54 2.02 -1.26 -4.93 118.70 113.39 1nwb s GLU 57 Ca 0.57 0.07 0.03 0.00 0.02 0.00 0.00 54.97 55.65 1nwb s GLU 57 Cb -0.10 -1.92 0.21 0.00 0.10 0.00 0.00 34.13 32.41 1nwb s GLU 57 CO 0.36 -1.79 0.99 -1.91 0.02 0.00 0.00 175.26 172.93 1nwb n GLU 58 N -3.44 1.78 0.00 1.61 2.13 -1.26 -3.99 120.64 117.47 1nwb n GLU 58 Ca 0.09 -0.83 0.00 0.00 0.66 0.00 0.00 57.16 57.08 1nwb n GLU 58 Cb 0.61 -1.56 0.00 0.00 0.27 0.00 0.00 31.44 30.75 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 0.13 -0.93 3.20 8.31 0.00 -1.26 -5.10 105.19 109.53 1nwb n GLY 59 Ca 0.11 0.43 -0.28 0.00 0.00 0.00 0.00 46.02 46.27 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 2.57 -0.62 1.61 -1.08 -1.26 -4.90 116.67 112.99 1nwb s ASP 60 Ca 0.00 -0.42 -0.26 0.00 -0.52 0.00 0.00 52.55 51.35 1nwb s ASP 60 Cb 0.00 -0.65 -0.06 0.00 -1.46 0.00 0.00 42.92 40.76 1nwb s ASP 60 CO 0.00 0.21 2.14 -1.00 0.52 0.00 0.00 175.17 177.03 1nwb s HIS 61 N -0.12 1.40 -0.30 -5.34 3.76 -1.14 -4.86 115.29 108.68 1nwb s HIS 61 Ca -0.02 1.20 -0.29 0.00 -0.15 0.00 0.00 55.06 55.80 1nwb s HIS 61 Cb -0.12 -3.82 0.00 0.00 1.11 0.00 0.00 32.58 29.76 1nwb s HIS 61 CO 0.02 -2.23 1.25 0.54 -0.85 0.00 0.00 174.74 173.47 1nwb s VAL 62 N 11.04 4.22 -0.19 -0.90 0.11 -1.26 -1.49 120.40 131.92 1nwb s VAL 62 Ca 0.82 1.39 -0.01 0.00 -2.93 0.00 0.00 61.98 61.24 1nwb s VAL 62 Cb -0.13 -4.21 0.01 0.00 -1.53 0.00 0.00 36.38 30.51 1nwb s VAL 62 CO 0.18 -0.47 -0.13 0.12 -3.33 0.00 0.00 175.10 171.47 1nwb s PHE 63 N 4.19 2.85 -0.00 1.54 5.36 0.49 -4.48 117.98 127.92 1nwb s PHE 63 Ca 0.54 -1.30 -0.30 0.00 -0.96 0.00 0.00 56.93 54.91 1nwb s PHE 63 Cb -0.16 -1.99 -0.05 0.00 -0.34 0.00 0.00 43.02 40.48 1nwb s PHE 63 CO 0.21 -0.67 1.27 -1.21 -1.46 0.00 0.00 175.22 173.36 1nwb s GLU 64 N 1.33 4.35 0.00 10.12 2.02 -1.26 -1.75 118.70 133.51 1nwb s GLU 64 Ca 0.04 1.80 0.00 0.00 0.02 0.00 0.00 54.97 56.83 1nwb s GLU 64 Cb -0.14 -3.50 0.00 0.00 0.10 0.00 0.00 34.13 30.60 1nwb s GLU 64 CO -0.08 -0.44 0.00 0.66 0.02 0.00 0.00 175.26 175.43 1nwb n TYR 65 N 4.88 -2.37 -1.04 1.61 4.02 0.41 -4.93 117.16 119.74 1nwb n TYR 65 Ca 0.11 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.58 1nwb n TYR 65 Cb 0.45 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.70 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 -2.42 2.11 -0.35 7.72 -0.08 -1.26 -3.08 116.55 119.18 1nwb n ASP 66 Ca 0.00 -2.63 -0.01 0.00 -1.51 0.00 0.00 54.79 50.64 1nwb n ASP 66 Cb 0.00 -1.00 0.00 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 4.77 0.55 3.31 0.27 0.00 -1.26 -5.03 105.19 107.81 1nwb n GLY 67 Ca 0.48 -0.75 -0.11 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.45 0.07 0.15 1.61 1.01 -1.18 -4.92 120.40 114.70 1nwb s VAL 68 Ca 0.01 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.43 1nwb s VAL 68 Cb -0.01 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 1nwb s VAL 68 CO 0.02 -0.33 0.26 -0.54 0.00 0.00 0.00 175.10 174.51 1nwb s LYS 69 N -3.70 3.35 0.14 2.72 1.02 -1.15 0.16 119.74 122.28 1nwb s LYS 69 Ca 0.02 -0.64 -0.16 0.00 0.02 0.00 0.00 55.97 55.22 1nwb s LYS 69 Cb 0.02 -2.92 0.03 0.00 -0.52 0.00 0.00 37.83 34.44 1nwb s LYS 69 CO -0.11 0.52 0.41 0.08 -0.92 0.00 0.00 175.35 175.32 1nwb s VAL 70 N -1.74 0.06 -0.16 3.17 1.01 -0.72 -2.69 120.40 119.34 1nwb s VAL 70 Ca 0.34 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.57 1nwb s VAL 70 Cb -0.11 -1.32 0.08 0.00 0.00 0.00 0.00 36.38 35.03 1nwb s VAL 70 CO 0.28 -0.28 0.26 0.68 0.00 0.00 0.00 175.10 176.04 1nwb s VAL 71 N -3.83 -0.41 -0.03 2.92 -7.23 -0.30 -0.38 120.40 111.13 1nwb s VAL 71 Ca 0.05 0.15 -0.14 0.00 -1.81 0.00 0.00 61.98 60.24 1nwb s VAL 71 Cb 0.01 -0.53 -0.05 0.00 0.56 0.00 0.00 36.38 36.37 1nwb s VAL 71 CO -0.09 0.02 0.36 -0.63 -0.31 0.00 0.00 175.10 174.45 1nwb s ILE 72 N 2.41 5.12 0.65 -0.62 1.01 -0.56 -0.67 121.20 128.54 1nwb s ILE 72 Ca 0.04 0.73 -0.12 0.00 0.00 0.00 0.00 60.65 61.30 1nwb s ILE 72 Cb -0.13 -3.66 -0.02 0.00 0.01 0.00 0.00 42.46 38.66 1nwb s ILE 72 CO -0.10 0.56 1.05 -1.81 0.00 0.00 0.00 174.94 174.64 1nwb s ASP 73 N -0.90 5.75 0.37 3.58 1.01 -1.25 -2.90 116.67 122.33 1nwb s ASP 73 Ca 0.22 1.58 0.20 0.00 0.71 0.00 0.00 52.55 55.26 1nwb s ASP 73 Cb -0.16 -2.49 0.55 0.00 1.01 0.00 0.00 42.92 41.83 1nwb s ASP 73 CO 0.11 -1.19 1.67 1.55 0.21 0.00 0.00 175.17 177.52 1nwb h PRO 74 N -0.37 0.00 0.00 8.23 0.13 -1.94 0.20 132.00 138.26 1nwb h PRO 74 Ca -0.44 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.41 1nwb h PRO 74 Cb 1.20 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 1nwb h PRO 74 CO 0.59 0.34 -1.65 0.74 -0.23 0.00 0.00 178.00 177.78 1nwb h PHE 75 N 0.00 0.00 0.00 1.56 0.04 -1.97 -3.34 116.94 113.23 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 1.01 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.16 1nwb h PHE 75 CO 0.00 0.95 -0.81 1.03 -0.60 0.00 0.00 178.31 178.88 1nwb h SER 76 N 0.00 0.00 0.06 2.17 0.87 -1.87 -3.36 113.55 111.42 1nwb h SER 76 Ca -0.26 -0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.29 1nwb h SER 76 Cb 1.95 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.89 1nwb h SER 76 CO 0.08 0.01 -0.13 -0.03 -0.53 0.00 0.00 176.83 176.23 1nwb h MET 77 N 0.00 -0.25 0.00 2.24 4.05 -0.72 -0.15 114.93 120.11 1nwb h MET 77 Ca 0.00 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.44 1nwb h MET 77 Cb 0.97 0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.83 1nwb h MET 77 CO 0.00 -0.16 0.00 -0.35 0.23 0.00 0.00 176.91 176.63 1nwb n PRO 78 N -5.26 0.75 -0.07 0.39 -0.04 -1.26 -0.56 135.00 128.95 1nwb n PRO 78 Ca -0.06 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.32 1nwb n PRO 78 Cb 0.18 -1.37 -0.15 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 -0.87 0.21 -2.57 0.54 4.19 -0.18 -4.50 117.16 113.97 1nwb n TYR 79 Ca 0.13 0.07 -0.03 0.00 3.31 0.00 0.00 57.90 61.39 1nwb n TYR 79 Cb 0.06 -0.99 0.05 0.00 0.49 0.00 0.00 39.34 38.95 1nwb n TYR 79 CO 0.00 0.00 0.00 1.33 0.91 0.00 0.00 176.86 179.10 1nwb n VAL 80 N -2.76 1.25 -2.61 2.97 0.24 -0.52 -5.08 118.33 111.81 1nwb n VAL 80 Ca -0.27 -2.73 -0.35 0.00 -2.04 0.00 0.00 64.34 58.95 1nwb n VAL 80 Cb 1.08 0.78 -0.04 0.00 -1.47 0.00 0.00 33.84 34.18 1nwb n VAL 80 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1nwb s ASN 81 N -3.36 6.66 -1.46 -1.34 2.47 0.28 -3.66 114.94 114.52 1nwb s ASN 81 Ca 0.33 1.92 -0.01 0.00 0.42 0.00 0.00 52.86 55.52 1nwb s ASN 81 Cb 0.35 -2.57 0.01 0.00 -1.45 0.00 0.00 41.25 37.60 1nwb s ASN 81 CO -0.06 -0.56 0.33 0.61 -3.72 0.00 0.00 177.10 173.71 1nwb n GLY 82 N -0.05 -0.21 3.39 1.21 0.00 -1.24 -4.94 105.19 103.35 1nwb n GLY 82 Ca 0.07 0.15 -0.16 0.00 0.00 0.00 0.00 46.02 46.09 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 -4.03 -1.33 0.33 4.61 0.00 -1.24 -4.78 121.76 115.32 1nwb s ALA 83 Ca 0.05 0.82 0.07 0.00 0.00 0.00 0.00 51.96 52.90 1nwb s ALA 83 Cb -0.03 0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.17 1nwb s ALA 83 CO 0.92 -0.36 0.39 -1.83 0.00 0.00 0.00 175.76 174.88 1nwb s GLU 84 N -1.48 2.96 -0.28 0.00 -1.05 -1.26 -3.74 118.70 113.84 1nwb s GLU 84 Ca -0.11 -1.13 0.03 0.00 -0.15 0.00 0.00 54.97 53.61 1nwb s GLU 84 Cb -0.02 -2.67 0.07 0.00 -0.44 0.00 0.00 34.13 31.07 1nwb s GLU 84 CO 0.06 0.09 -0.04 -1.17 0.95 0.00 0.00 175.26 175.15 1nwb s LEU 85 N -4.09 3.69 -0.18 1.83 2.96 0.90 -3.19 118.68 120.60 1nwb s LEU 85 Ca 0.43 -1.62 -0.11 0.00 -0.22 0.00 0.00 54.13 52.61 1nwb s LEU 85 Cb -0.08 -1.49 -0.05 0.00 0.50 0.00 0.00 46.19 45.08 1nwb s LEU 85 CO 0.29 -0.27 0.17 1.51 -1.32 0.00 0.00 176.35 176.74 1nwb s ASP 86 N 1.10 6.29 -0.05 3.68 -4.77 0.01 -3.43 116.67 119.50 1nwb s ASP 86 Ca -0.01 0.33 -0.24 0.00 -3.30 0.00 0.00 52.55 49.33 1nwb s ASP 86 Cb -0.19 -2.11 -0.04 0.00 -1.09 0.00 0.00 42.92 39.49 1nwb s ASP 86 CO -0.07 0.18 0.73 -0.47 0.70 0.00 0.00 175.17 176.24 1nwb s TYR 87 N 0.24 3.60 0.00 2.11 5.04 -1.26 -0.73 117.35 126.34 1nwb s TYR 87 Ca 0.11 1.30 -0.02 0.00 -2.44 0.00 0.00 57.07 56.02 1nwb s TYR 87 Cb -0.12 -2.83 -0.04 0.00 0.35 0.00 0.00 41.96 39.32 1nwb s TYR 87 CO 0.00 0.10 0.17 0.08 -1.34 0.00 0.00 175.55 174.57 1nwb s VAL 88 N 0.73 5.35 -0.20 3.14 1.01 -0.01 -4.89 120.40 125.53 1nwb s VAL 88 Ca 0.39 -0.22 -0.00 0.00 0.00 0.00 0.00 61.98 62.14 1nwb s VAL 88 Cb -0.18 -3.51 0.05 0.00 0.00 0.00 0.00 36.38 32.74 1nwb s VAL 88 CO 0.19 0.30 -0.04 -0.69 0.00 0.00 0.00 175.10 174.86 1nwb s VAL 89 N -1.34 1.21 0.00 2.92 1.01 -1.26 0.15 120.40 123.09 1nwb s VAL 89 Ca 0.28 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1nwb s VAL 89 Cb -0.13 -1.49 0.00 0.00 0.00 0.00 0.00 36.38 34.77 1nwb s VAL 89 CO 0.20 -0.04 0.00 -0.67 0.00 0.00 0.00 175.10 174.59 1nwb n ASP 90 N 4.81 0.09 0.18 3.32 -0.08 -1.26 -4.88 116.55 118.73 1nwb n ASP 90 Ca -0.12 0.00 0.10 0.00 -1.51 0.00 0.00 54.79 53.26 1nwb n ASP 90 Cb 0.46 0.00 0.53 0.00 2.34 0.00 0.00 41.12 44.45 1nwb n ASP 90 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 1nwb h PHE 91 N 0.00 0.00 -0.25 -0.67 3.57 -2.03 0.33 116.94 117.89 1nwb h PHE 91 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1nwb h PHE 91 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1nwb h PHE 91 CO 0.00 0.00 0.00 -1.33 -2.23 0.00 0.00 178.31 174.75 1nwb n MET 92 N -2.23 2.17 -3.33 1.11 2.81 -1.26 -4.95 117.12 111.43 1nwb n MET 92 Ca -0.01 -1.14 -0.20 0.00 -1.81 0.00 0.00 57.70 54.54 1nwb n MET 92 Cb 0.17 -1.56 0.02 0.00 -0.71 0.00 0.00 33.22 31.13 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 0.53 -0.03 2.78 3.03 0.00 0.12 -3.68 105.19 107.94 1nwb n GLY 93 Ca 0.10 0.61 -0.06 0.00 0.00 0.00 0.00 46.02 46.67 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 0.53 0.03 0.54 -0.02 0.00 -1.25 -4.92 105.19 100.10 1nwb n GLY 94 Ca -0.04 0.16 -0.04 0.00 0.00 0.00 0.00 46.02 46.10 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 0.93 2.97 3.56 -0.02 0.00 0.38 -4.93 105.19 108.09 1nwb n GLY 95 Ca -0.01 -2.19 -0.31 0.00 0.00 0.00 0.00 46.02 43.51 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 -0.34 2.78 -0.05 1.61 0.40 -1.26 -0.83 117.98 120.29 1nwb s PHE 96 Ca 0.05 -0.11 -0.08 0.00 -0.60 0.00 0.00 56.93 56.19 1nwb s PHE 96 Cb -0.00 -1.54 0.01 0.00 0.51 0.00 0.00 43.02 42.00 1nwb s PHE 96 CO 0.03 0.36 0.19 0.99 0.70 0.00 0.00 175.22 177.48 1nwb s THR 97 N -1.03 0.03 -0.14 0.64 2.01 0.09 -4.76 115.64 112.48 1nwb s THR 97 Ca 0.18 -0.24 -0.08 0.00 0.31 0.00 0.00 61.69 61.86 1nwb s THR 97 Cb -0.11 -0.35 -0.04 0.00 0.01 0.00 0.00 72.50 72.00 1nwb s THR 97 CO 0.08 -0.13 0.13 -0.63 -0.69 0.00 0.00 174.62 173.39 1nwb s ILE 98 N -0.44 5.43 -0.31 1.82 -1.09 -1.26 -0.81 121.20 124.54 1nwb s ILE 98 Ca -0.05 0.19 0.03 0.00 -2.23 0.00 0.00 60.65 58.59 1nwb s ILE 98 Cb -0.04 -3.39 0.09 0.00 -1.58 0.00 0.00 42.46 37.54 1nwb s ILE 98 CO 0.01 0.57 0.00 -0.60 -1.23 0.00 0.00 174.94 173.69 1nwb s ARG 99 N -0.67 1.67 0.02 2.79 3.52 -1.19 -4.93 118.95 120.16 1nwb s ARG 99 Ca 0.13 -1.65 -0.30 0.00 -0.13 0.00 0.00 55.73 53.78 1nwb s ARG 99 Cb -0.12 -3.03 -0.04 0.00 -1.56 0.00 0.00 34.95 30.20 1nwb s ARG 99 CO 0.02 -0.82 1.06 1.21 -0.81 0.00 0.00 175.30 175.96 1nwb s ASN 100 N 1.01 7.26 0.00 -2.12 3.84 -1.26 -4.03 114.94 119.65 1nwb s ASN 100 Ca 0.04 1.78 0.24 0.00 0.21 0.00 0.00 52.86 55.13 1nwb s ASN 100 Cb -0.19 -2.57 1.43 0.00 -0.55 0.00 0.00 41.25 39.37 1nwb s ASN 100 CO -0.08 -0.34 1.80 -0.81 -2.79 0.00 0.00 177.10 174.88