#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y23 n ASN 6 N 0.00 3.85 -4.47 4.31 3.02 -1.26 -4.90 115.26 115.81 1y23 n ASN 6 Ca 0.00 -3.36 -0.43 0.00 -0.03 0.00 0.00 54.58 50.75 1y23 n ASN 6 Cb 0.00 -0.79 -0.07 0.00 -0.61 0.00 0.00 39.78 38.31 1y23 n ASN 6 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1y23 h ILE 8 N 5.80 0.66 0.08 0.00 2.10 -2.00 -0.57 117.51 123.58 1y23 h ILE 8 Ca -0.27 0.00 -0.26 0.00 1.08 0.00 0.00 64.86 65.41 1y23 h ILE 8 Cb 1.10 0.74 0.01 0.00 -1.09 0.00 0.00 36.82 37.58 1y23 h ILE 8 CO 0.88 0.00 -1.12 -0.26 -1.08 0.00 0.00 178.15 176.57 1y23 h PHE 9 N 0.00 0.62 -0.45 2.19 0.04 -1.98 -2.75 116.94 114.61 1y23 h PHE 9 Ca 0.22 -0.39 -0.08 0.00 2.80 0.00 0.00 57.97 60.52 1y23 h PHE 9 Cb 0.94 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 39.02 1y23 h PHE 9 CO 0.00 1.25 -0.04 0.00 -0.60 0.00 0.00 178.31 178.93 1y23 h LYS 11 N 0.71 0.30 -0.28 0.00 1.57 -1.36 0.05 116.57 117.55 1y23 h LYS 11 Ca 0.13 -0.11 -0.17 0.00 -1.87 0.00 0.00 60.65 58.63 1y23 h LYS 11 Cb 0.49 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 1y23 h LYS 11 CO 0.02 0.56 -0.51 0.82 -0.57 0.00 0.00 179.45 179.78 1y23 h ILE 12 N 0.26 1.29 -0.50 1.86 2.04 -1.17 0.12 117.51 121.42 1y23 h ILE 12 Ca 0.04 -1.70 -0.03 0.00 1.00 0.00 0.00 64.86 64.16 1y23 h ILE 12 Cb 0.64 1.61 -0.02 0.00 -0.74 0.00 0.00 36.82 38.31 1y23 h ILE 12 CO 0.05 0.55 0.18 0.40 0.00 0.00 0.00 178.15 179.33 1y23 h ILE 13 N 0.62 1.22 0.00 -0.67 2.04 -0.87 -2.05 117.51 117.79 1y23 h ILE 13 Ca 0.02 -0.70 -0.06 0.00 1.00 0.00 0.00 64.86 65.13 1y23 h ILE 13 Cb 1.09 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 1y23 h ILE 13 CO 0.11 0.26 -0.29 0.00 0.00 0.00 0.00 178.15 178.23 1y23 h ALA 14 N 1.03 1.51 0.00 1.87 0.00 -0.85 -3.46 119.26 119.36 1y23 h ALA 14 Ca 0.16 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1y23 h ALA 14 Cb 0.22 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1y23 h ALA 14 CO -0.01 0.36 0.00 0.41 0.00 0.00 0.00 179.25 180.01 1y23 n GLY 15 N -0.69 0.87 0.29 0.00 0.00 0.04 -4.95 105.19 100.74 1y23 n GLY 15 Ca -0.02 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.17 1y23 n GLY 15 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1y23 h ASP 16 N 0.00 0.00 -4.00 1.61 3.32 -1.11 -3.42 116.42 112.83 1y23 h ASP 16 Ca 0.00 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.82 1y23 h ASP 16 Cb 0.00 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 39.28 1y23 h ASP 16 CO 0.00 0.04 -0.72 0.27 -1.72 0.00 0.00 179.24 177.11 1y23 s ILE 17 N -4.06 0.09 0.83 0.35 -4.36 -1.22 -5.02 121.20 107.80 1y23 s ILE 17 Ca -0.03 -0.22 -0.13 0.00 -0.26 0.00 0.00 60.65 60.01 1y23 s ILE 17 Cb 0.12 -0.12 0.06 0.00 1.25 0.00 0.00 42.46 43.77 1y23 s ILE 17 CO 0.51 -0.08 0.90 -0.81 0.24 0.00 0.00 174.94 175.70 1y23 n PRO 18 N 2.76 0.04 -3.63 0.37 -0.04 -1.26 -4.54 135.00 128.70 1y23 n PRO 18 Ca -0.14 0.08 -0.13 0.00 -0.04 0.00 0.00 63.50 63.26 1y23 n PRO 18 Cb 0.59 -2.19 -0.07 0.00 -0.04 0.00 0.00 33.50 31.79 1y23 n PRO 18 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1y23 s SER 19 N -2.02 -0.74 -1.06 3.54 1.04 -1.26 -5.00 113.70 108.20 1y23 s SER 19 Ca 0.68 1.42 -0.21 0.00 0.48 0.00 0.00 55.95 58.31 1y23 s SER 19 Cb -0.28 1.43 0.07 0.00 0.10 0.00 0.00 66.02 67.34 1y23 s SER 19 CO 0.56 -0.24 1.45 0.00 0.98 0.00 0.00 173.24 175.99 1y23 s ALA 20 N 0.42 2.95 0.39 5.32 0.00 -1.26 -4.98 121.76 124.59 1y23 s ALA 20 Ca -0.00 -2.48 -0.26 0.00 0.00 0.00 0.00 51.96 49.22 1y23 s ALA 20 Cb -0.05 -4.47 -0.09 0.00 0.00 0.00 0.00 23.12 18.51 1y23 s ALA 20 CO -0.00 -3.45 1.18 0.15 0.00 0.00 0.00 175.76 173.64 1y23 s LYS 21 N 4.42 4.09 -0.01 0.00 1.02 -1.26 -1.58 119.74 126.43 1y23 s LYS 21 Ca 0.45 1.88 0.01 0.00 0.02 0.00 0.00 55.97 58.34 1y23 s LYS 21 Cb -0.00 -2.73 -0.01 0.00 -0.52 0.00 0.00 37.83 34.57 1y23 s LYS 21 CO -0.07 -0.30 0.01 1.33 -0.92 0.00 0.00 175.35 175.40 1y23 n VAL 22 N 0.18 0.05 -3.44 3.17 0.24 0.30 -4.90 118.33 113.93 1y23 n VAL 22 Ca 0.04 -0.04 -0.12 0.00 -2.04 0.00 0.00 64.34 62.18 1y23 n VAL 22 Cb 0.46 -0.58 -0.02 0.00 -1.47 0.00 0.00 33.84 32.22 1y23 n VAL 22 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1y23 s TYR 23 N -2.04 -0.54 -0.25 6.34 5.04 -1.09 -5.00 117.35 119.82 1y23 s TYR 23 Ca -0.00 0.40 -0.29 0.00 -2.44 0.00 0.00 57.07 54.73 1y23 s TYR 23 Cb 0.00 0.54 0.17 0.00 0.35 0.00 0.00 41.96 43.03 1y23 s TYR 23 CO 0.04 -0.80 1.25 -2.00 -1.34 0.00 0.00 175.55 172.70 1y23 s GLU 24 N -3.46 0.22 0.00 4.97 2.12 -1.26 -0.77 118.70 120.52 1y23 s GLU 24 Ca 0.00 0.06 0.00 0.00 0.36 0.00 0.00 54.97 55.39 1y23 s GLU 24 Cb -0.01 0.10 0.00 0.00 0.26 0.00 0.00 34.13 34.48 1y23 s GLU 24 CO -0.11 -0.07 0.00 -0.40 -0.54 0.00 0.00 175.26 174.15 1y23 n ASP 25 N 0.61 0.00 0.26 -1.70 3.85 -0.48 -4.99 116.55 114.11 1y23 n ASP 25 Ca -0.03 -0.31 0.11 0.00 -0.71 0.00 0.00 54.79 53.84 1y23 n ASP 25 Cb 0.59 0.00 0.72 0.00 -1.35 0.00 0.00 41.12 41.07 1y23 n ASP 25 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 1y23 h GLU 26 N 0.00 0.00 0.00 0.11 4.81 -2.03 -3.32 114.58 114.16 1y23 h GLU 26 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1y23 h GLU 26 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1y23 h GLU 26 CO 0.00 0.07 -0.37 0.72 -0.73 0.00 0.00 179.01 178.69 1y23 n HIS 27 N -4.09 0.00 -4.36 0.92 8.25 -1.26 -4.92 115.22 109.76 1y23 n HIS 27 Ca -0.03 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.20 1y23 n HIS 27 Cb 0.15 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.15 1y23 n HIS 27 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1y23 s VAL 28 N -1.17 1.97 -0.11 1.59 1.01 -1.25 -0.12 120.40 122.32 1y23 s VAL 28 Ca 0.00 -1.93 -0.05 0.00 0.00 0.00 0.00 61.98 60.00 1y23 s VAL 28 Cb 0.00 -1.91 0.05 0.00 0.00 0.00 0.00 36.38 34.52 1y23 s VAL 28 CO 0.00 -0.25 0.24 -0.22 0.00 0.00 0.00 175.10 174.87 1y23 s LEU 29 N -2.63 0.13 -0.04 3.92 2.96 -0.61 -1.38 118.68 121.01 1y23 s LEU 29 Ca 0.17 0.52 0.05 0.00 -0.22 0.00 0.00 54.13 54.65 1y23 s LEU 29 Cb -0.07 0.66 -0.01 0.00 0.50 0.00 0.00 46.19 47.27 1y23 s LEU 29 CO 0.07 -0.20 -0.20 0.00 -1.32 0.00 0.00 176.35 174.70 1y23 s ALA 30 N 1.77 1.75 0.06 5.97 0.00 0.05 -1.60 121.76 129.77 1y23 s ALA 30 Ca -0.04 -0.84 -0.14 0.00 0.00 0.00 0.00 51.96 50.94 1y23 s ALA 30 Cb -0.11 -0.54 0.02 0.00 0.00 0.00 0.00 23.12 22.49 1y23 s ALA 30 CO -0.08 0.35 0.32 -0.59 0.00 0.00 0.00 175.76 175.76 1y23 s PHE 31 N -0.14 -0.12 0.69 0.00 -0.12 -0.46 -0.54 117.98 117.28 1y23 s PHE 31 Ca -0.01 -0.04 -0.17 0.00 -0.05 0.00 0.00 56.93 56.66 1y23 s PHE 31 Cb -0.11 0.12 0.01 0.00 -0.63 0.00 0.00 43.02 42.41 1y23 s PHE 31 CO 0.02 -0.54 1.24 -0.51 -0.05 0.00 0.00 175.22 175.38 1y23 s LEU 32 N -2.19 3.45 -0.22 -1.99 1.43 -0.61 -0.56 118.68 117.98 1y23 s LEU 32 Ca -0.03 2.47 -0.15 0.00 -1.03 0.00 0.00 54.13 55.38 1y23 s LEU 32 Cb -0.00 -4.60 -0.04 0.00 0.03 0.00 0.00 46.19 41.58 1y23 s LEU 32 CO -0.05 -2.11 0.36 -0.62 0.23 0.00 0.00 176.35 174.15 1y23 s ASP 33 N -1.74 6.36 0.41 2.29 -1.08 -0.21 -4.72 116.67 117.98 1y23 s ASP 33 Ca 0.78 0.42 0.22 0.00 -0.52 0.00 0.00 52.55 53.45 1y23 s ASP 33 Cb -0.33 -2.21 1.20 0.00 -1.46 0.00 0.00 42.92 40.13 1y23 s ASP 33 CO 0.42 -0.07 1.74 0.40 0.52 0.00 0.00 175.17 178.18 1y23 h ILE 34 N 5.07 0.42 -0.81 4.11 5.03 -1.94 0.23 117.51 129.62 1y23 h ILE 34 Ca -0.36 -0.10 0.03 0.00 -0.12 0.00 0.00 64.86 64.31 1y23 h ILE 34 Cb 1.16 0.09 -0.05 0.00 -3.03 0.00 0.00 36.82 35.00 1y23 h ILE 34 CO 0.70 0.05 0.54 0.28 -0.68 0.00 0.00 178.15 179.04 1y23 h SER 35 N 0.30 0.87 -6.43 1.72 0.02 -1.95 -3.47 113.55 104.61 1y23 h SER 35 Ca 0.65 -0.01 -0.49 0.00 -0.84 0.00 0.00 61.79 61.10 1y23 h SER 35 Cb 1.80 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 64.10 1y23 h SER 35 CO -0.32 0.61 -0.89 0.00 -1.14 0.00 0.00 176.83 175.09 1y23 n GLN 36 N -4.44 -3.25 -0.38 3.45 1.13 0.07 -4.83 117.38 109.12 1y23 n GLN 36 Ca 0.10 0.43 0.34 0.00 -1.94 0.00 0.00 57.00 55.93 1y23 n GLN 36 Cb 0.10 -4.54 0.67 0.00 0.11 0.00 0.00 30.24 26.58 1y23 n GLN 36 CO 0.00 0.00 0.00 -0.39 -1.44 0.00 0.00 177.06 175.23 1y23 h VAL 37 N -1.85 0.35 -3.92 5.09 -1.51 -1.91 -3.40 116.25 109.10 1y23 h VAL 37 Ca -0.63 -0.05 -0.10 0.00 -1.23 0.00 0.00 66.70 64.69 1y23 h VAL 37 Cb 1.37 0.20 -0.15 0.00 -2.13 0.00 0.00 31.29 30.59 1y23 h VAL 37 CO 0.60 0.02 -0.48 0.42 -1.23 0.00 0.00 177.57 176.90 1y23 s THR 38 N -5.17 0.16 -0.19 7.19 -4.23 -1.26 -0.18 115.64 111.97 1y23 s THR 38 Ca -0.07 -1.33 -0.29 0.00 -1.18 0.00 0.00 61.69 58.82 1y23 s THR 38 Cb 0.25 -1.30 -0.04 0.00 1.34 0.00 0.00 72.50 72.75 1y23 s THR 38 CO 0.82 -0.74 1.75 -0.75 -0.54 0.00 0.00 174.62 175.16 1y23 s LYS 39 N -3.62 3.75 0.00 3.99 2.20 -1.26 -1.80 119.74 123.00 1y23 s LYS 39 Ca 0.03 1.84 0.00 0.00 -0.36 0.00 0.00 55.97 57.49 1y23 s LYS 39 Cb 0.05 -4.10 0.00 0.00 -1.51 0.00 0.00 37.83 32.26 1y23 s LYS 39 CO -0.09 -1.37 0.00 0.41 -0.36 0.00 0.00 175.35 173.94 1y23 n GLY 40 N 4.80 0.80 3.40 5.54 0.00 -1.26 -4.75 105.19 113.72 1y23 n GLY 40 Ca 0.21 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.70 1y23 n GLY 40 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1y23 n HIS 41 N -0.91 1.46 -4.39 1.61 -0.00 -0.74 -4.80 115.22 107.44 1y23 n HIS 41 Ca 0.00 0.39 -0.28 0.00 -0.00 0.00 0.00 57.72 57.84 1y23 n HIS 41 Cb 0.00 -2.47 -0.12 0.00 -0.00 0.00 0.00 29.99 27.39 1y23 n HIS 41 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 1y23 s THR 42 N 7.17 2.25 -0.12 3.57 2.01 -0.19 -1.05 115.64 129.27 1y23 s THR 42 Ca 1.13 -1.85 0.01 0.00 0.31 0.00 0.00 61.69 61.29 1y23 s THR 42 Cb -1.01 -2.01 -0.01 0.00 0.01 0.00 0.00 72.50 69.48 1y23 s THR 42 CO 0.53 -0.00 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.53 1y23 s LEU 43 N -2.28 2.55 -0.21 4.42 1.43 0.28 -0.06 118.68 124.80 1y23 s LEU 43 Ca 0.16 -0.39 -0.02 0.00 -1.03 0.00 0.00 54.13 52.85 1y23 s LEU 43 Cb -0.09 -1.56 0.01 0.00 0.03 0.00 0.00 46.19 44.58 1y23 s LEU 43 CO 0.07 0.17 -0.10 -0.69 0.23 0.00 0.00 176.35 176.03 1y23 s VAL 44 N 0.34 2.79 0.13 -1.59 1.01 -0.31 -1.36 120.40 121.41 1y23 s VAL 44 Ca -0.13 -0.78 0.05 0.00 0.00 0.00 0.00 61.98 61.11 1y23 s VAL 44 Cb -0.16 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 1y23 s VAL 44 CO 0.07 0.40 -0.11 0.27 0.00 0.00 0.00 175.10 175.73 1y23 s ILE 45 N 1.37 1.17 0.36 2.22 -4.36 -0.62 -1.20 121.20 120.14 1y23 s ILE 45 Ca 0.04 -1.83 -0.16 0.00 -0.26 0.00 0.00 60.65 58.44 1y23 s ILE 45 Cb -0.14 -1.60 -0.09 0.00 1.25 0.00 0.00 42.46 41.87 1y23 s ILE 45 CO -0.07 -0.58 0.79 -2.16 0.24 0.00 0.00 174.94 173.16 1y23 s PRO 46 N -3.10 4.03 0.15 0.37 0.04 -1.26 -1.58 135.00 133.65 1y23 s PRO 46 Ca 0.11 0.76 -0.11 0.00 0.04 0.00 0.00 61.00 61.79 1y23 s PRO 46 Cb -0.02 -2.36 0.00 0.00 0.04 0.00 0.00 34.50 32.16 1y23 s PRO 46 CO 0.01 0.09 1.56 0.87 0.04 0.00 0.00 177.00 179.57 1y23 h LYS 47 N 2.06 0.93 -6.93 4.56 1.57 -0.85 -3.43 116.57 114.47 1y23 h LYS 47 Ca -0.48 -0.36 -0.53 0.00 -1.87 0.00 0.00 60.65 57.41 1y23 h LYS 47 Cb 1.18 -0.05 0.09 0.00 0.08 0.00 0.00 32.23 33.53 1y23 h LYS 47 CO 0.64 1.02 0.68 0.99 -0.57 0.00 0.00 179.45 182.21 1y23 s THR 48 N -4.79 2.39 -0.65 -0.16 2.01 -1.26 -4.93 115.64 108.25 1y23 s THR 48 Ca -0.12 0.38 -0.25 0.00 0.31 0.00 0.00 61.69 62.01 1y23 s THR 48 Cb 0.12 -3.23 0.05 0.00 0.01 0.00 0.00 72.50 69.44 1y23 s THR 48 CO 0.85 0.08 1.09 -2.28 -0.69 0.00 0.00 174.62 173.66 1y23 s HIS 49 N -1.18 2.57 -0.02 4.92 2.46 -1.26 -4.95 115.29 117.83 1y23 s HIS 49 Ca 0.54 -0.16 0.07 0.00 0.47 0.00 0.00 55.06 55.99 1y23 s HIS 49 Cb -0.42 -4.38 -0.02 0.00 -0.13 0.00 0.00 32.58 27.64 1y23 s HIS 49 CO 0.55 -1.71 -0.25 0.96 -2.47 0.00 0.00 174.74 171.83 1y23 s ILE 50 N 4.67 1.94 0.17 0.89 -4.36 -1.26 -5.05 121.20 118.20 1y23 s ILE 50 Ca 0.30 -1.05 0.00 0.00 -0.26 0.00 0.00 60.65 59.65 1y23 s ILE 50 Cb -0.12 -1.61 -0.12 0.00 1.25 0.00 0.00 42.46 41.86 1y23 s ILE 50 CO 0.16 0.55 1.42 -0.33 0.24 0.00 0.00 174.94 176.97 1y23 h GLU 51 N 5.55 0.32 0.00 0.37 5.08 -1.93 0.25 114.58 124.22 1y23 h GLU 51 Ca -0.42 -0.29 -0.08 0.00 -1.00 0.00 0.00 59.36 57.57 1y23 h GLU 51 Cb 1.13 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1y23 h GLU 51 CO 0.47 0.95 0.06 0.27 -1.00 0.00 0.00 179.01 179.77 1y23 n ASN 52 N -3.78 -1.19 0.19 1.42 0.23 -1.26 -3.04 115.26 107.83 1y23 n ASN 52 Ca -0.04 -2.07 0.05 0.00 -0.53 0.00 0.00 54.58 51.99 1y23 n ASN 52 Cb 0.74 2.05 0.50 0.00 -2.08 0.00 0.00 39.78 40.99 1y23 n ASN 52 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 1y23 h VAL 53 N 1.62 1.11 -0.51 3.53 3.04 -1.93 -2.63 116.25 120.48 1y23 h VAL 53 Ca -0.19 -0.50 -0.01 0.00 -1.01 0.00 0.00 66.70 64.98 1y23 h VAL 53 Cb 0.76 1.18 -0.03 0.00 -2.01 0.00 0.00 31.29 31.19 1y23 h VAL 53 CO 0.25 0.15 0.26 1.88 -1.01 0.00 0.00 177.57 179.10 1y23 h TYR 54 N 0.09 0.70 0.00 3.17 0.99 -2.01 -2.50 116.97 117.40 1y23 h TYR 54 Ca 0.02 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.74 1y23 h TYR 54 Cb 0.24 -0.22 0.00 0.00 1.00 0.00 0.00 36.73 37.75 1y23 h TYR 54 CO 0.00 0.50 0.00 0.39 -0.00 0.00 0.00 178.16 179.06 1y23 n GLU 55 N -4.39 0.88 -2.28 4.88 1.02 -0.99 -4.84 120.64 114.93 1y23 n GLU 55 Ca 0.04 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.77 1y23 n GLU 55 Cb 0.11 -1.39 -0.03 0.00 -0.02 0.00 0.00 31.44 30.11 1y23 n GLU 55 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1y23 s PHE 56 N -2.00 3.33 0.33 -0.32 2.99 -0.95 -5.01 117.98 116.35 1y23 s PHE 56 Ca 0.33 1.23 0.07 0.00 0.00 0.00 0.00 56.93 58.56 1y23 s PHE 56 Cb 0.15 -3.54 -0.02 0.00 0.00 0.00 0.00 43.02 39.61 1y23 s PHE 56 CO 0.26 -1.71 0.37 0.95 -0.00 0.00 0.00 175.22 175.09 1y23 s THR 57 N 0.42 3.80 0.47 0.64 -4.23 -1.26 -4.95 115.64 110.54 1y23 s THR 57 Ca 0.58 -1.20 0.13 0.00 -1.18 0.00 0.00 61.69 60.02 1y23 s THR 57 Cb -0.34 -3.30 0.24 0.00 1.34 0.00 0.00 72.50 70.44 1y23 s THR 57 CO 0.35 -0.17 2.08 0.44 -0.54 0.00 0.00 174.62 176.78 1y23 h ASP 58 N 1.09 0.11 -0.01 3.99 5.19 -1.99 -0.74 116.42 124.06 1y23 h ASP 58 Ca -0.45 -0.01 -0.04 0.00 -0.62 0.00 0.00 57.03 55.91 1y23 h ASP 58 Cb 1.25 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.74 1y23 h ASP 58 CO 0.56 0.14 -0.15 -0.08 -3.12 0.00 0.00 179.24 176.59 1y23 h GLU 59 N 0.13 0.12 -0.88 3.56 4.57 -1.99 -2.33 114.58 117.76 1y23 h GLU 59 Ca 0.03 -0.11 0.03 0.00 -1.18 0.00 0.00 59.36 58.12 1y23 h GLU 59 Cb 0.09 0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 28.66 1y23 h GLU 59 CO 0.00 0.84 0.57 1.25 -1.18 0.00 0.00 179.01 180.49 1y23 h LEU 60 N -0.56 0.96 -0.78 1.64 5.85 -1.90 -1.19 115.31 119.33 1y23 h LEU 60 Ca -0.02 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.71 1y23 h LEU 60 Cb 0.89 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.65 1y23 h LEU 60 CO 0.03 0.67 0.51 0.00 -0.34 0.00 0.00 178.44 179.31 1y23 h ALA 61 N 1.35 1.00 -0.54 1.25 0.00 -1.17 -0.87 119.26 120.27 1y23 h ALA 61 Ca 0.34 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.23 1y23 h ALA 61 Cb -0.04 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 1y23 h ALA 61 CO -0.10 0.37 0.33 -0.22 0.00 0.00 0.00 179.25 179.63 1y23 h LYS 62 N 1.03 0.64 0.00 0.00 3.64 -0.67 -1.98 116.57 119.21 1y23 h LYS 62 Ca 0.29 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1y23 h LYS 62 Cb -0.08 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.60 1y23 h LYS 62 CO -0.08 0.42 0.00 1.04 -2.27 0.00 0.00 179.45 178.56 1y23 n GLN 63 N -4.77 0.26 -0.02 1.90 6.02 -0.61 -4.47 117.38 115.69 1y23 n GLN 63 Ca 0.04 0.01 -0.02 0.00 -0.01 0.00 0.00 57.00 57.02 1y23 n GLN 63 Cb 0.07 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.82 1y23 n GLN 63 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 1y23 n TYR 64 N -1.36 0.00 -0.30 1.08 9.36 -0.37 -4.64 117.16 120.92 1y23 n TYR 64 Ca 0.11 0.00 0.14 0.00 3.32 0.00 0.00 57.90 61.47 1y23 n TYR 64 Cb 0.27 -0.10 0.30 0.00 -0.63 0.00 0.00 39.34 39.18 1y23 n TYR 64 CO 0.00 0.00 0.00 0.35 0.22 0.00 0.00 176.86 177.43 1y23 h PHE 65 N -0.21 0.46 -1.28 2.98 3.57 -1.66 -2.33 116.94 118.48 1y23 h PHE 65 Ca 0.00 0.05 0.37 0.00 3.53 0.00 0.00 57.97 61.92 1y23 h PHE 65 Cb 0.21 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 38.83 1y23 h PHE 65 CO -0.09 -0.17 0.99 1.12 -2.23 0.00 0.00 178.31 177.94 1y23 h HIS 66 N 0.26 0.00 -0.15 0.41 2.07 -1.83 0.11 115.15 116.02 1y23 h HIS 66 Ca 0.56 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.97 1y23 h HIS 66 Cb 1.13 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.10 1y23 h HIS 66 CO -0.22 0.00 -0.40 0.00 -3.07 0.00 0.00 177.93 174.25 1y23 h ALA 67 N 1.21 1.03 0.25 6.11 0.00 -1.75 -3.27 119.26 122.85 1y23 h ALA 67 Ca 0.61 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1y23 h ALA 67 Cb 2.59 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 20.27 1y23 h ALA 67 CO -0.01 0.60 -0.18 0.28 0.00 0.00 0.00 179.25 179.94 1y23 h VAL 68 N 0.29 0.61 -0.43 0.00 2.07 -0.96 -0.18 116.25 117.65 1y23 h VAL 68 Ca 0.03 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.61 1y23 h VAL 68 Cb 0.83 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 1y23 h VAL 68 CO 0.07 0.00 0.12 -0.65 0.02 0.00 0.00 177.57 177.13 1y23 h PRO 69 N -0.44 0.27 -0.20 1.57 0.11 -1.67 0.24 132.00 131.88 1y23 h PRO 69 Ca -0.02 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.09 1y23 h PRO 69 Cb 0.38 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 1y23 h PRO 69 CO 0.00 0.18 0.11 0.87 -0.21 0.00 0.00 178.00 178.94 1y23 h LYS 70 N 0.27 0.22 -0.52 1.05 1.57 -1.58 -1.66 116.57 115.93 1y23 h LYS 70 Ca 0.21 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.92 1y23 h LYS 70 Cb 0.22 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 1y23 h LYS 70 CO -0.24 0.15 0.12 0.82 -0.57 0.00 0.00 179.45 179.73 1y23 h ILE 71 N 0.23 1.24 -1.00 1.86 2.04 -0.72 -2.14 117.51 119.02 1y23 h ILE 71 Ca 0.08 -0.87 0.07 0.00 1.00 0.00 0.00 64.86 65.14 1y23 h ILE 71 Cb 0.00 0.81 -0.07 0.00 -0.74 0.00 0.00 36.82 36.82 1y23 h ILE 71 CO -0.04 0.32 0.64 0.00 0.00 0.00 0.00 178.15 179.06 1y23 h ALA 72 N 1.00 1.39 -0.41 1.87 0.00 -0.25 -1.35 119.26 121.52 1y23 h ALA 72 Ca 0.16 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1y23 h ALA 72 Cb 0.34 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1y23 h ALA 72 CO 0.00 0.42 -0.11 0.00 0.00 0.00 0.00 179.25 179.56 1y23 h ARG 73 N 1.15 0.79 -0.31 0.00 3.08 -0.97 -1.54 114.38 116.58 1y23 h ARG 73 Ca 0.44 -0.31 0.01 0.00 0.07 0.00 0.00 59.98 60.19 1y23 h ARG 73 Cb 0.19 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1y23 h ARG 73 CO -0.18 0.92 0.17 0.00 -1.07 0.00 0.00 179.97 179.81 1y23 h ALA 74 N 0.84 0.38 -0.36 0.04 0.00 -0.77 0.59 119.26 119.98 1y23 h ALA 74 Ca 0.10 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1y23 h ALA 74 Cb 0.64 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1y23 h ALA 74 CO 0.04 -0.20 0.09 0.82 0.00 0.00 0.00 179.25 180.00 1y23 h ILE 75 N 0.35 1.17 -0.06 0.00 2.04 -1.21 0.23 117.51 120.03 1y23 h ILE 75 Ca 0.12 -0.59 -0.06 0.00 1.00 0.00 0.00 64.86 65.34 1y23 h ILE 75 Cb 0.01 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1y23 h ILE 75 CO -0.07 0.21 -0.19 -0.09 0.00 0.00 0.00 178.15 178.02 1y23 h ARG 76 N 0.52 0.23 0.00 2.37 2.43 -0.20 -2.37 114.38 117.36 1y23 h ARG 76 Ca 0.12 -0.17 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 1y23 h ARG 76 Cb 0.20 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1y23 h ARG 76 CO -0.00 0.80 -0.16 -0.44 -1.51 0.00 0.00 179.97 178.65 1y23 h ASP 77 N -0.29 0.00 0.06 -3.80 3.32 0.40 0.23 116.42 116.33 1y23 h ASP 77 Ca -0.01 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.81 1y23 h ASP 77 Cb 0.81 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.35 1y23 h ASP 77 CO 0.04 0.16 -1.21 -0.08 -1.72 0.00 0.00 179.24 176.43 1y23 h GLU 78 N 0.00 0.12 -0.15 3.56 4.57 -0.98 -3.40 114.58 118.31 1y23 h GLU 78 Ca -0.00 -0.21 0.00 0.00 -1.18 0.00 0.00 59.36 57.97 1y23 h GLU 78 Cb 0.58 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.25 1y23 h GLU 78 CO 0.02 1.10 0.00 1.19 -1.18 0.00 0.00 179.01 180.14 1y23 n PHE 79 N -4.17 0.18 -3.87 0.92 3.01 -0.89 -5.03 117.46 107.61 1y23 n PHE 79 Ca -0.26 -0.16 -0.32 0.00 1.01 0.00 0.00 57.45 57.72 1y23 n PHE 79 Cb 0.78 -0.01 0.01 0.00 -0.01 0.00 0.00 39.48 40.25 1y23 n PHE 79 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1y23 n GLU 80 N 0.77 -0.63 -1.70 -1.08 1.02 0.81 -4.92 120.64 114.91 1y23 n GLU 80 Ca 0.10 0.12 -0.30 0.00 -0.02 0.00 0.00 57.16 57.06 1y23 n GLU 80 Cb 0.38 -1.72 0.07 0.00 -0.02 0.00 0.00 31.44 30.16 1y23 n GLU 80 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1y23 s PRO 81 N -6.19 2.39 0.36 3.49 0.04 -1.26 -4.97 135.00 128.85 1y23 s PRO 81 Ca 0.27 0.55 0.21 0.00 0.04 0.00 0.00 61.00 62.07 1y23 s PRO 81 Cb -0.15 -1.96 0.22 0.00 0.04 0.00 0.00 34.50 32.64 1y23 s PRO 81 CO 0.75 -1.39 1.46 -0.84 0.04 0.00 0.00 177.00 177.02 1y23 h ILE 82 N -0.92 0.17 -3.38 0.56 3.07 -0.88 -3.48 117.51 112.66 1y23 h ILE 82 Ca -0.46 -1.25 -0.05 0.00 1.55 0.00 0.00 64.86 64.64 1y23 h ILE 82 Cb 1.26 2.00 -0.05 0.00 -0.27 0.00 0.00 36.82 39.76 1y23 h ILE 82 CO 0.61 0.10 0.07 -0.83 -1.05 0.00 0.00 178.15 177.06 1y23 s GLY 83 N -4.30 0.50 -0.26 0.16 0.00 -0.95 -4.98 107.32 97.49 1y23 s GLY 83 Ca 0.05 -0.81 -0.12 0.00 0.00 0.00 0.00 44.72 43.83 1y23 s GLY 83 CO 0.71 -0.46 0.60 -2.27 0.00 0.00 0.00 173.10 171.68 1y23 s LEU 84 N -3.05 -0.81 0.09 0.66 0.20 -1.26 0.90 118.68 115.41 1y23 s LEU 84 Ca 0.19 1.36 0.05 0.00 0.69 0.00 0.00 54.13 56.42 1y23 s LEU 84 Cb -0.03 2.07 -0.04 0.00 -0.43 0.00 0.00 46.19 47.76 1y23 s LEU 84 CO 0.11 -0.23 0.02 0.20 -0.29 0.00 0.00 176.35 176.16 1y23 s ASN 85 N 2.01 5.11 -0.12 3.68 -0.87 -0.35 -4.97 114.94 119.43 1y23 s ASN 85 Ca -0.08 -0.16 0.02 0.00 -1.57 0.00 0.00 52.86 51.07 1y23 s ASN 85 Cb -0.08 -1.24 0.01 0.00 -0.02 0.00 0.00 41.25 39.92 1y23 s ASN 85 CO -0.18 0.17 -0.17 0.42 -2.57 0.00 0.00 177.10 174.78 1y23 s THR 86 N -1.35 1.63 -0.02 1.60 -4.23 -1.26 -0.89 115.64 111.12 1y23 s THR 86 Ca 0.27 -0.72 0.03 0.00 -1.18 0.00 0.00 61.69 60.09 1y23 s THR 86 Cb -0.12 -1.48 -0.00 0.00 1.34 0.00 0.00 72.50 72.24 1y23 s THR 86 CO 0.19 0.47 -0.12 -0.22 -0.54 0.00 0.00 174.62 174.40 1y23 s LEU 87 N 0.98 1.89 -0.09 4.79 2.96 0.35 -4.92 118.68 124.65 1y23 s LEU 87 Ca -0.06 -0.23 0.01 0.00 -0.22 0.00 0.00 54.13 53.63 1y23 s LEU 87 Cb -0.15 -0.66 0.02 0.00 0.50 0.00 0.00 46.19 45.90 1y23 s LEU 87 CO -0.02 0.11 -0.10 0.21 -1.32 0.00 0.00 176.35 175.22 1y23 s ASN 88 N 0.01 1.94 -0.16 3.68 3.04 -1.26 0.15 114.94 122.34 1y23 s ASN 88 Ca -0.01 -0.30 -0.02 0.00 0.04 0.00 0.00 52.86 52.57 1y23 s ASN 88 Cb -0.08 -0.84 -0.02 0.00 -1.54 0.00 0.00 41.25 38.78 1y23 s ASN 88 CO 0.00 -0.03 -0.08 0.20 -3.04 0.00 0.00 177.10 174.16 1y23 s ASN 89 N 1.08 4.32 -0.23 -4.21 0.01 -1.26 -5.06 114.94 109.58 1y23 s ASN 89 Ca -0.07 -0.29 0.02 0.00 -0.71 0.00 0.00 52.86 51.82 1y23 s ASN 89 Cb -0.14 -1.69 0.05 0.00 0.41 0.00 0.00 41.25 39.87 1y23 s ASN 89 CO -0.01 0.12 -0.13 0.20 -1.51 0.00 0.00 177.10 175.77 1y23 s ASN 90 N 0.65 3.98 0.00 -1.22 0.01 -1.26 -4.52 114.94 112.58 1y23 s ASN 90 Ca -0.05 -1.15 0.00 0.00 -0.71 0.00 0.00 52.86 50.95 1y23 s ASN 90 Cb -0.15 -1.48 0.00 0.00 0.41 0.00 0.00 41.25 40.04 1y23 s ASN 90 CO 0.02 -0.14 0.00 0.61 -1.51 0.00 0.00 177.10 176.08 1y23 n GLY 91 N 4.52 2.30 0.29 0.66 0.00 -1.26 -4.39 105.19 107.31 1y23 n GLY 91 Ca -0.16 -1.57 0.08 0.00 0.00 0.00 0.00 46.02 44.38 1y23 n GLY 91 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1y23 h GLU 92 N 0.00 0.29 0.00 1.61 4.81 -1.95 0.17 114.58 119.52 1y23 h GLU 92 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1y23 h GLU 92 Cb 0.00 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.31 1y23 h GLU 92 CO 0.00 0.19 0.00 1.63 -0.73 0.00 0.00 179.01 180.10 1y23 n LYS 93 N -5.13 0.38 0.00 1.92 4.76 -1.26 -1.79 118.16 117.04 1y23 n LYS 93 Ca 0.17 0.07 0.09 0.00 -2.87 0.00 0.00 58.31 55.77 1y23 n LYS 93 Cb 0.53 -1.50 0.07 0.00 -1.84 0.00 0.00 35.03 32.29 1y23 n LYS 93 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1y23 n ALA 94 N -1.22 2.57 0.00 7.82 0.00 0.55 -4.96 120.51 125.27 1y23 n ALA 94 Ca 0.11 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.92 1y23 n ALA 94 Cb 0.14 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 18.98 1y23 n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y23 n GLY 95 N 1.05 1.05 3.68 0.00 0.00 -0.74 -4.64 105.19 105.59 1y23 n GLY 95 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1y23 n GLY 95 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1y23 s GLN 96 N -0.77 4.31 -0.09 1.61 0.74 -0.87 -4.90 119.66 119.69 1y23 s GLN 96 Ca 0.00 0.94 0.05 0.00 0.05 0.00 0.00 55.36 56.40 1y23 s GLN 96 Cb 0.00 -3.55 -0.09 0.00 1.10 0.00 0.00 33.01 30.47 1y23 s GLN 96 CO 0.00 -0.24 -0.01 0.45 -0.55 0.00 0.00 175.29 174.93 1y23 n SER 97 N 4.94 3.08 -4.35 6.67 2.88 -1.26 -3.90 113.62 121.68 1y23 n SER 97 Ca 0.03 -0.02 -0.37 0.00 -1.33 0.00 0.00 58.87 57.17 1y23 n SER 97 Cb 0.49 0.40 -0.13 0.00 -0.75 0.00 0.00 64.21 64.23 1y23 n SER 97 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1y23 s VAL 98 N -2.20 3.99 -1.56 2.46 1.01 -1.26 -5.01 120.40 117.84 1y23 s VAL 98 Ca -0.07 -0.66 -0.10 0.00 0.00 0.00 0.00 61.98 61.14 1y23 s VAL 98 Cb 0.03 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 1y23 s VAL 98 CO 0.30 0.09 2.75 0.49 0.00 0.00 0.00 175.10 178.73 1y23 n PHE 99 N 4.87 2.64 -3.68 5.22 3.72 -1.26 -4.67 117.46 124.30 1y23 n PHE 99 Ca -0.15 -3.04 -0.14 0.00 -0.05 0.00 0.00 57.45 54.08 1y23 n PHE 99 Cb 0.48 -2.42 -0.14 0.00 -0.94 0.00 0.00 39.48 36.47 1y23 n PHE 99 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 1y23 s HIS 100 N 1.90 -0.37 -0.22 1.38 2.46 -1.24 -4.27 115.29 114.94 1y23 s HIS 100 Ca 0.63 0.88 -0.41 0.00 0.47 0.00 0.00 55.06 56.63 1y23 s HIS 100 Cb 0.17 -0.05 -0.17 0.00 -0.13 0.00 0.00 32.58 32.40 1y23 s HIS 100 CO -0.07 -0.32 1.57 0.98 -2.47 0.00 0.00 174.74 174.43 1y23 n TYR 101 N 5.11 1.74 -3.83 3.88 9.36 0.88 -4.92 117.16 129.38 1y23 n TYR 101 Ca -0.10 0.73 -0.12 0.00 3.32 0.00 0.00 57.90 61.73 1y23 n TYR 101 Cb 0.50 -2.35 -0.13 0.00 -0.63 0.00 0.00 39.34 36.73 1y23 n TYR 101 CO 0.00 0.00 0.00 -3.38 0.22 0.00 0.00 176.86 173.70 1y23 s HIS 102 N 2.45 -0.11 -0.21 2.98 -3.43 -1.26 -4.18 115.29 111.52 1y23 s HIS 102 Ca 0.96 0.28 -0.06 0.00 -0.80 0.00 0.00 55.06 55.45 1y23 s HIS 102 Cb -1.15 0.04 -0.02 0.00 -1.43 0.00 0.00 32.58 30.01 1y23 s HIS 102 CO 0.64 -0.06 0.01 1.41 -2.00 0.00 0.00 174.74 174.75 1y23 s MET 103 N 0.07 3.63 0.04 -0.38 1.75 -0.34 -4.37 119.30 119.69 1y23 s MET 103 Ca -0.00 -0.51 -0.23 0.00 -1.25 0.00 0.00 55.69 53.70 1y23 s MET 103 Cb -0.01 -3.13 -0.06 0.00 2.84 0.00 0.00 34.83 34.47 1y23 s MET 103 CO 0.00 -0.03 0.70 -1.01 -0.65 0.00 0.00 175.02 174.03 1y23 s HIS 104 N 1.12 3.74 -0.26 4.11 3.76 0.41 -1.16 115.29 127.02 1y23 s HIS 104 Ca 0.03 1.38 0.03 0.00 -0.15 0.00 0.00 55.06 56.35 1y23 s HIS 104 Cb -0.14 -2.73 0.06 0.00 1.11 0.00 0.00 32.58 30.88 1y23 s HIS 104 CO 0.02 0.34 -0.10 0.42 -0.85 0.00 0.00 174.74 174.56 1y23 s ILE 105 N -0.26 2.07 -0.30 0.60 1.01 0.91 -0.49 121.20 124.74 1y23 s ILE 105 Ca 0.35 -1.57 0.03 0.00 0.00 0.00 0.00 60.65 59.47 1y23 s ILE 105 Cb -0.20 -2.20 0.08 0.00 0.01 0.00 0.00 42.46 40.14 1y23 s ILE 105 CO 0.21 -0.03 -0.04 -0.63 0.00 0.00 0.00 174.94 174.45 1y23 s ILE 106 N 1.15 2.22 0.68 2.92 1.01 -0.07 -1.03 121.20 128.08 1y23 s ILE 106 Ca -0.08 -1.95 -0.14 0.00 0.00 0.00 0.00 60.65 58.47 1y23 s ILE 106 Cb -0.20 -2.46 0.01 0.00 0.01 0.00 0.00 42.46 39.82 1y23 s ILE 106 CO -0.05 -0.28 1.11 -2.16 0.00 0.00 0.00 174.94 173.55 1y23 s PRO 107 N 1.01 2.69 -0.05 2.79 0.04 -1.26 -1.22 135.00 139.00 1y23 s PRO 107 Ca -0.00 1.35 0.06 0.00 0.04 0.00 0.00 61.00 62.45 1y23 s PRO 107 Cb -0.20 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 1y23 s PRO 107 CO -0.06 -1.33 -0.23 1.03 0.04 0.00 0.00 177.00 176.44 1y23 s ARG 108 N -4.24 2.28 0.00 4.56 1.81 0.26 -4.82 118.95 118.80 1y23 s ARG 108 Ca 0.66 -0.82 0.00 0.00 -1.72 0.00 0.00 55.73 53.85 1y23 s ARG 108 Cb -0.20 -1.97 0.00 0.00 -0.45 0.00 0.00 34.95 32.33 1y23 s ARG 108 CO 0.44 0.36 0.00 0.66 -0.68 0.00 0.00 175.30 176.09 1y23 n TYR 109 N 2.94 0.00 0.00 -0.53 4.02 -1.26 -0.18 117.16 122.14 1y23 n TYR 109 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.72 1y23 n TYR 109 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.84 1y23 n TYR 109 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1y23 n GLY 110 N 1.70 0.06 3.73 2.72 0.00 -1.26 -4.80 105.19 107.33 1y23 n GLY 110 Ca 0.00 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 1y23 n GLY 110 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1y23 n LYS 111 N 0.00 2.54 0.00 1.61 4.01 -1.26 -1.91 118.16 123.15 1y23 n LYS 111 Ca 0.00 0.90 0.00 0.00 -0.51 0.00 0.00 58.31 58.70 1y23 n LYS 111 Cb 0.00 -2.64 0.00 0.00 -0.51 0.00 0.00 35.03 31.88 1y23 n LYS 111 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1y23 n GLY 112 N 1.93 2.94 3.56 0.72 0.00 -1.26 -5.05 105.19 108.02 1y23 n GLY 112 Ca 0.08 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.63 1y23 n GLY 112 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1y23 n ASP 113 N 0.00 0.92 -0.24 1.61 8.00 -0.80 -4.84 116.55 121.20 1y23 n ASP 113 Ca 0.00 1.16 0.14 0.00 0.71 0.00 0.00 54.79 56.80 1y23 n ASP 113 Cb 0.00 -1.21 0.60 0.00 -0.02 0.00 0.00 41.12 40.49 1y23 n ASP 113 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1y23 n GLY 114 N 1.62 -0.58 3.31 0.44 0.00 0.75 -4.83 105.19 105.89 1y23 n GLY 114 Ca 0.13 -0.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 1y23 n GLY 114 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1y23 s PHE 115 N -2.24 2.29 0.15 1.61 5.36 -1.26 -4.91 117.98 118.97 1y23 s PHE 115 Ca 0.34 -0.43 -0.22 0.00 -0.96 0.00 0.00 56.93 55.67 1y23 s PHE 115 Cb 0.21 -1.46 0.06 0.00 -0.34 0.00 0.00 43.02 41.49 1y23 s PHE 115 CO 0.42 -0.02 0.57 0.20 -1.46 0.00 0.00 175.22 174.93 1y23 s GLY 116 N -0.68 -0.56 -0.08 13.12 0.00 -1.26 -5.11 107.32 112.75 1y23 s GLY 116 Ca 0.10 0.41 0.04 0.00 0.00 0.00 0.00 44.72 45.27 1y23 s GLY 116 CO -0.01 0.09 -0.20 0.00 0.00 0.00 0.00 173.10 172.99 1y23 s ALA 117 N -3.70 1.85 -0.15 3.20 0.00 -1.26 -5.09 121.76 116.61 1y23 s ALA 117 Ca 0.01 -0.80 -0.29 0.00 0.00 0.00 0.00 51.96 50.88 1y23 s ALA 117 Cb -0.00 -0.68 -0.01 0.00 0.00 0.00 0.00 23.12 22.43 1y23 s ALA 117 CO -0.12 0.27 1.00 0.08 0.00 0.00 0.00 175.76 176.98 1y23 s VAL 118 N 0.29 4.76 -0.41 0.00 1.01 -1.26 -5.00 120.40 119.80 1y23 s VAL 118 Ca -0.13 2.00 0.02 0.00 0.00 0.00 0.00 61.98 63.86 1y23 s VAL 118 Cb -0.16 -4.30 0.13 0.00 0.00 0.00 0.00 36.38 32.05 1y23 s VAL 118 CO 0.06 -0.04 0.20 0.86 0.00 0.00 0.00 175.10 176.18 1y23 s TRP 119 N 2.35 1.95 -0.31 5.22 -0.11 -1.26 -5.08 118.94 121.70 1y23 s TRP 119 Ca 0.46 -2.28 -0.10 0.00 1.22 0.00 0.00 56.10 55.40 1y23 s TRP 119 Cb -0.17 -1.87 -0.01 0.00 -1.50 0.00 0.00 33.47 29.92 1y23 s TRP 119 CO 0.14 -0.81 0.16 0.15 -4.62 0.00 0.00 176.95 171.98 1y23 s LYS 120 N 0.66 3.40 0.40 5.86 1.02 -1.26 -5.09 119.74 124.72 1y23 s LYS 120 Ca 0.16 -0.68 -0.19 0.00 0.02 0.00 0.00 55.97 55.28 1y23 s LYS 120 Cb -0.23 -3.60 -0.10 0.00 -0.52 0.00 0.00 37.83 33.38 1y23 s LYS 120 CO -0.05 -0.40 0.88 0.99 -0.92 0.00 0.00 175.35 175.85 1y23 s THR 121 N 1.64 4.50 -0.20 2.17 2.01 -1.26 -5.01 115.64 119.48 1y23 s THR 121 Ca 0.05 1.29 0.19 0.00 0.31 0.00 0.00 61.69 63.53 1y23 s THR 121 Cb -0.17 -3.61 0.47 0.00 0.01 0.00 0.00 72.50 69.20 1y23 s THR 121 CO 0.07 -0.29 1.15 1.41 -0.69 0.00 0.00 174.62 176.27 1y23 n HIS 122 N -0.58 1.15 -0.35 4.92 8.25 -1.26 -4.90 115.22 122.45 1y23 n HIS 122 Ca 0.06 -1.71 0.10 0.00 -0.26 0.00 0.00 57.72 55.91 1y23 n HIS 122 Cb 0.54 -0.24 0.28 0.00 1.12 0.00 0.00 29.99 31.69 1y23 n HIS 122 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1y23 h ALA 123 N 1.98 1.58 0.00 -1.41 0.00 -1.94 -1.16 119.26 118.31 1y23 h ALA 123 Ca -0.04 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1y23 h ALA 123 Cb 1.44 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1y23 h ALA 123 CO 0.26 0.06 0.00 -0.25 0.00 0.00 0.00 179.25 179.33 1y23 n ASP 124 N -4.71 0.02 -0.29 0.00 8.00 -1.26 -2.59 116.55 115.71 1y23 n ASP 124 Ca 0.21 0.50 0.15 0.00 0.71 0.00 0.00 54.79 56.36 1y23 n ASP 124 Cb 0.47 -0.51 0.69 0.00 -0.02 0.00 0.00 41.12 41.75 1y23 n ASP 124 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1y23 n ASP 125 N -1.52 0.92 -3.97 -2.24 8.00 -0.44 -4.83 116.55 112.47 1y23 n ASP 125 Ca 0.04 -1.31 -0.16 0.00 0.71 0.00 0.00 54.79 54.07 1y23 n ASP 125 Cb 0.19 -0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.15 1y23 n ASP 125 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1y23 s TYR 126 N -2.00 0.52 0.28 1.24 1.51 -1.07 -5.13 117.35 112.71 1y23 s TYR 126 Ca 0.42 -0.11 -0.03 0.00 -1.01 0.00 0.00 57.07 56.34 1y23 s TYR 126 Cb 0.21 -0.34 -0.05 0.00 -0.11 0.00 0.00 41.96 41.68 1y23 s TYR 126 CO 0.35 -0.01 0.52 0.15 -1.11 0.00 0.00 175.55 175.45 1y23 s LYS 127 N -0.18 3.58 0.53 -0.62 -0.14 -1.26 -4.97 119.74 116.68 1y23 s LYS 127 Ca 0.02 -0.13 0.23 0.00 -1.36 0.00 0.00 55.97 54.73 1y23 s LYS 127 Cb -0.02 -2.69 1.36 0.00 -1.68 0.00 0.00 37.83 34.80 1y23 s LYS 127 CO -0.00 0.24 2.04 -1.00 -0.76 0.00 0.00 175.35 175.87 1y23 h PRO 128 N 1.58 0.00 -0.07 -1.68 0.13 -2.00 0.10 132.00 130.06 1y23 h PRO 128 Ca -0.48 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.52 1y23 h PRO 128 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1y23 h PRO 128 CO 0.66 0.00 -0.53 0.93 -0.23 0.00 0.00 178.00 178.83 1y23 h GLU 129 N 0.00 0.19 -0.37 0.86 3.07 -1.99 -2.51 114.58 113.82 1y23 h GLU 129 Ca 0.18 -0.11 -0.04 0.00 -0.50 0.00 0.00 59.36 58.89 1y23 h GLU 129 Cb 0.71 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.62 1y23 h GLU 129 CO -0.00 0.67 0.08 -0.44 -1.40 0.00 0.00 179.01 177.91 1y23 h ASP 130 N 0.15 0.58 -0.61 1.42 3.32 -1.18 -1.65 116.42 118.45 1y23 h ASP 130 Ca 0.00 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 56.80 1y23 h ASP 130 Cb 0.98 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.35 1y23 h ASP 130 CO 0.08 0.67 0.37 -0.07 -1.72 0.00 0.00 179.24 178.57 1y23 h LEU 131 N 0.45 0.73 -0.74 1.55 4.07 -1.37 0.27 115.31 120.28 1y23 h LEU 131 Ca 0.12 -0.06 -0.04 0.00 0.08 0.00 0.00 57.88 57.98 1y23 h LEU 131 Cb 0.33 -0.19 -0.03 0.00 1.08 0.00 0.00 40.66 41.85 1y23 h LEU 131 CO 0.00 0.58 0.32 -0.61 -1.08 0.00 0.00 178.44 177.65 1y23 h GLN 132 N 0.82 1.09 -0.29 1.13 5.75 -1.33 0.23 115.11 122.51 1y23 h GLN 132 Ca 0.22 -0.18 -0.16 0.00 -0.15 0.00 0.00 58.65 58.38 1y23 h GLN 132 Cb -0.02 -0.18 -0.00 0.00 1.07 0.00 0.00 27.48 28.35 1y23 h GLN 132 CO -0.04 0.88 -0.43 -0.97 -2.65 0.00 0.00 178.83 175.61 1y23 h ASN 133 N 1.05 0.88 -0.21 -0.69 -1.24 -0.91 -1.20 115.58 113.26 1y23 h ASN 133 Ca 0.25 -0.51 -0.03 0.00 0.71 0.00 0.00 56.30 56.72 1y23 h ASN 133 Cb 0.18 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 38.97 1y23 h ASN 133 CO -0.02 1.22 0.02 0.40 -1.29 0.00 0.00 177.43 177.76 1y23 h ILE 134 N 0.57 1.24 -0.34 2.57 2.04 -0.72 -2.55 117.51 120.32 1y23 h ILE 134 Ca 0.03 -0.79 -0.04 0.00 1.00 0.00 0.00 64.86 65.05 1y23 h ILE 134 Cb 1.03 1.36 -0.02 0.00 -0.74 0.00 0.00 36.82 38.45 1y23 h ILE 134 CO 0.10 0.25 0.02 0.77 0.00 0.00 0.00 178.15 179.29 1y23 h SER 135 N 0.14 0.48 -0.65 1.72 4.64 -0.53 -2.68 113.55 116.67 1y23 h SER 135 Ca 0.06 -0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 61.27 1y23 h SER 135 Cb 0.35 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 62.28 1y23 h SER 135 CO 0.01 0.53 0.30 0.28 -0.87 0.00 0.00 176.83 177.08 1y23 h SER 136 N 0.50 0.86 -0.72 4.97 0.02 -1.00 0.12 113.55 118.30 1y23 h SER 136 Ca 0.11 -0.14 -0.04 0.00 -0.84 0.00 0.00 61.79 60.88 1y23 h SER 136 Cb 0.29 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 1y23 h SER 136 CO 0.01 0.76 0.30 -1.28 -1.14 0.00 0.00 176.83 175.47 1y23 h SER 137 N 0.89 0.99 -0.35 3.07 0.87 -1.14 -1.99 113.55 115.89 1y23 h SER 137 Ca 0.22 -0.17 -0.11 0.00 -1.23 0.00 0.00 61.79 60.50 1y23 h SER 137 Cb 0.14 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 1y23 h SER 137 CO -0.03 0.89 -0.21 0.40 -0.53 0.00 0.00 176.83 177.35 1y23 h ILE 138 N 1.03 1.29 -0.79 2.23 2.04 -1.31 -3.13 117.51 118.87 1y23 h ILE 138 Ca 0.24 -1.35 0.11 0.00 1.00 0.00 0.00 64.86 64.86 1y23 h ILE 138 Cb 0.20 1.39 -0.05 0.00 -0.74 0.00 0.00 36.82 37.62 1y23 h ILE 138 CO -0.02 0.44 0.51 0.00 0.00 0.00 0.00 178.15 179.08 1y23 h ALA 139 N 0.78 1.82 -0.00 1.87 0.00 -0.65 -1.28 119.26 121.80 1y23 h ALA 139 Ca 0.07 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1y23 h ALA 139 Cb 0.76 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1y23 h ALA 139 CO 0.06 0.01 -0.12 0.87 0.00 0.00 0.00 179.25 180.06 1y23 h LYS 140 N 0.67 0.00 0.00 0.00 1.57 -1.31 -1.04 116.57 116.46 1y23 h LYS 140 Ca 0.37 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 1y23 h LYS 140 Cb 0.52 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1y23 h LYS 140 CO -0.14 0.12 0.00 0.54 -0.57 0.00 0.00 179.45 179.40 1y23 n ARG 141 N -4.39 0.11 0.00 3.15 1.74 -0.49 -3.48 116.66 113.30 1y23 n ARG 141 Ca -0.03 0.17 0.04 0.00 -0.77 0.00 0.00 57.85 57.26 1y23 n ARG 141 Cb 0.19 -1.65 0.01 0.00 -1.02 0.00 0.00 32.46 30.00 1y23 n ARG 141 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1y23 n LEU 142 N -1.84 1.22 0.00 0.55 4.77 -0.45 -5.15 117.00 116.09 1y23 n LEU 142 Ca 0.05 -0.82 0.00 0.00 -0.03 0.00 0.00 56.01 55.21 1y23 n LEU 142 Cb 0.32 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1y23 n LEU 142 CO 0.25 0.25 0.14 0.00 -1.33 0.00 0.00 177.39 176.69