#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x0o s ALA 2 N 0.00 4.26 0.00 4.61 0.00 -1.26 -3.51 121.76 125.86 1x0o s ALA 2 Ca 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 51.96 50.16 1x0o s ALA 2 Cb 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 23.12 21.99 1x0o s ALA 2 CO 0.00 -0.33 0.00 -1.33 0.00 0.00 0.00 175.76 174.10 1x0o n MET 3 N -1.70 0.00 -0.01 0.00 0.00 -1.26 -2.81 117.12 111.34 1x0o n MET 3 Ca 0.05 0.00 0.08 0.00 0.00 0.00 0.00 57.70 57.83 1x0o n MET 3 Cb 0.62 0.00 -0.13 0.00 0.00 0.00 0.00 33.22 33.71 1x0o n MET 3 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1x0o n ASP 4 N 1.89 1.07 0.00 7.83 8.00 -1.26 -4.88 116.55 129.20 1x0o n ASP 4 Ca 0.00 -0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.40 1x0o n ASP 4 Cb 0.00 1.69 0.00 0.00 -0.02 0.00 0.00 41.12 42.79 1x0o n ASP 4 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1x0o n ASN 5 N -2.01 0.00 -1.70 -2.24 3.02 -1.12 -4.72 115.26 106.49 1x0o n ASN 5 Ca -0.02 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.54 1x0o n ASN 5 Cb 0.42 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.59 1x0o n ASN 5 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 1x0o n VAL 6 N 0.00 0.00 -1.64 2.41 3.14 -1.26 -1.98 118.33 119.00 1x0o n VAL 6 Ca 0.00 -0.01 -0.19 0.00 -2.96 0.00 0.00 64.34 61.18 1x0o n VAL 6 Cb 0.00 0.12 -0.06 0.00 -1.06 0.00 0.00 33.84 32.84 1x0o n VAL 6 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1x0o s GLN 8 N 8.53 2.78 0.83 0.00 -1.52 -1.26 -5.12 119.66 123.90 1x0o s GLN 8 Ca 0.90 -0.58 -0.12 0.00 -1.95 0.00 0.00 55.36 53.61 1x0o s GLN 8 Cb -0.13 -2.57 0.09 0.00 -0.22 0.00 0.00 33.01 30.19 1x0o s GLN 8 CO 0.09 0.62 1.18 -2.14 -0.25 0.00 0.00 175.29 174.79 1x0o s PRO 9 N -0.69 1.55 -0.07 2.91 0.02 -1.26 -4.73 135.00 132.74 1x0o s PRO 9 Ca 0.10 1.66 0.08 0.00 0.02 0.00 0.00 61.00 62.87 1x0o s PRO 9 Cb -0.11 -1.78 0.34 0.00 0.02 0.00 0.00 34.50 32.97 1x0o s PRO 9 CO 0.01 -2.26 1.14 2.41 -0.33 0.00 0.00 177.00 177.97 1x0o n THR 10 N -3.51 0.94 -4.65 0.99 -1.04 -1.26 -4.37 114.28 101.39 1x0o n THR 10 Ca 0.13 -0.56 -0.24 0.00 -2.04 0.00 0.00 64.05 61.34 1x0o n THR 10 Cb 0.51 -0.16 -0.16 0.00 -1.82 0.00 0.00 70.33 68.70 1x0o n THR 10 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1x0o s GLU 11 N -1.70 1.50 -0.01 -2.82 2.02 -1.26 -3.70 118.70 112.73 1x0o s GLU 11 Ca 0.24 -0.47 0.03 0.00 0.02 0.00 0.00 54.97 54.78 1x0o s GLU 11 Cb 0.16 -1.32 -0.01 0.00 0.10 0.00 0.00 34.13 33.07 1x0o s GLU 11 CO 0.10 0.16 -0.09 -0.59 0.02 0.00 0.00 175.26 174.87 1x0o s PHE 12 N 0.21 0.79 -0.01 1.61 -0.71 -0.74 -4.77 117.98 114.36 1x0o s PHE 12 Ca -0.06 -0.15 -0.09 0.00 -1.04 0.00 0.00 56.93 55.59 1x0o s PHE 12 Cb -0.11 -0.52 -0.05 0.00 -1.21 0.00 0.00 43.02 41.13 1x0o s PHE 12 CO 0.02 -0.03 0.29 -1.50 -1.34 0.00 0.00 175.22 172.66 1x0o s ILE 13 N -0.14 5.26 0.01 -4.49 2.07 -1.26 -0.29 121.20 122.35 1x0o s ILE 13 Ca 0.02 0.35 0.01 0.00 -1.41 0.00 0.00 60.65 59.62 1x0o s ILE 13 Cb -0.04 -3.57 -0.01 0.00 0.13 0.00 0.00 42.46 38.96 1x0o s ILE 13 CO -0.00 0.45 -0.04 -0.55 -1.91 0.00 0.00 174.94 172.89 1x0o s SER 14 N -1.45 0.40 -0.26 4.50 0.15 0.45 -3.36 113.70 114.13 1x0o s SER 14 Ca 0.25 -0.23 -0.04 0.00 0.70 0.00 0.00 55.95 56.64 1x0o s SER 14 Cb -0.14 0.00 0.02 0.00 -1.71 0.00 0.00 66.02 64.19 1x0o s SER 14 CO 0.13 -0.08 -0.01 -0.13 1.20 0.00 0.00 173.24 174.36 1x0o s ARG 15 N -0.61 3.00 0.21 5.44 0.52 -0.58 -0.39 118.95 126.54 1x0o s ARG 15 Ca -0.04 -0.89 0.05 0.00 -0.52 0.00 0.00 55.73 54.34 1x0o s ARG 15 Cb -0.04 -3.11 -0.05 0.00 0.52 0.00 0.00 34.95 32.26 1x0o s ARG 15 CO -0.00 -0.38 -0.08 -3.38 0.02 0.00 0.00 175.30 171.48 1x0o s HIS 16 N 1.40 1.60 0.43 -0.53 -3.43 0.29 -1.29 115.29 113.76 1x0o s HIS 16 Ca 0.02 -0.74 -0.23 0.00 -0.80 0.00 0.00 55.06 53.30 1x0o s HIS 16 Cb -0.16 -0.85 -0.08 0.00 -1.43 0.00 0.00 32.58 30.05 1x0o s HIS 16 CO -0.02 0.16 1.12 1.21 -2.00 0.00 0.00 174.74 175.21 1x0o s ASN 17 N -3.30 6.42 0.62 7.38 3.84 0.49 -0.97 114.94 129.42 1x0o s ASN 17 Ca 0.24 2.20 0.27 0.00 0.21 0.00 0.00 52.86 55.77 1x0o s ASN 17 Cb 0.03 -2.60 1.35 0.00 -0.55 0.00 0.00 41.25 39.48 1x0o s ASN 17 CO 0.07 -0.73 1.77 0.16 -2.79 0.00 0.00 177.10 175.57 1x0o h ILE 18 N 2.02 0.19 0.00 -5.21 3.07 -1.88 0.68 117.51 116.38 1x0o h ILE 18 Ca -0.49 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.92 1x0o h ILE 18 Cb 1.23 0.52 0.00 0.00 -0.27 0.00 0.00 36.82 38.30 1x0o h ILE 18 CO 0.61 0.00 0.00 -0.62 -1.05 0.00 0.00 178.15 177.09 1x0o n GLU 19 N -3.33 0.11 0.00 0.16 1.02 -1.26 -4.86 120.64 112.47 1x0o n GLU 19 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 1x0o n GLU 19 Cb 0.71 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.63 1x0o n GLU 19 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x0o n GLY 20 N 1.42 1.13 3.67 0.62 0.00 0.24 -4.87 105.19 107.40 1x0o n GLY 20 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1x0o n GLY 20 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x0o s ILE 21 N -2.00 4.96 0.07 -0.61 -1.09 -1.04 -0.87 121.20 120.62 1x0o s ILE 21 Ca 0.00 1.39 -0.31 0.00 -2.23 0.00 0.00 60.65 59.51 1x0o s ILE 21 Cb 0.00 -4.03 -0.07 0.00 -1.58 0.00 0.00 42.46 36.77 1x0o s ILE 21 CO 0.00 0.08 1.45 -0.36 -1.23 0.00 0.00 174.94 174.87 1x0o s PHE 22 N 1.99 2.97 -0.02 3.97 0.08 -0.93 -0.38 117.98 125.65 1x0o s PHE 22 Ca 0.33 0.79 0.00 0.00 0.12 0.00 0.00 56.93 58.17 1x0o s PHE 22 Cb -0.16 -3.74 -0.02 0.00 -0.57 0.00 0.00 43.02 38.54 1x0o s PHE 22 CO 0.11 -2.71 -0.02 2.41 -0.10 0.00 0.00 175.22 174.91 1x0o n THR 23 N 4.31 0.14 -3.90 0.64 -1.04 -1.17 -3.52 114.28 109.74 1x0o n THR 23 Ca 0.13 -0.05 -0.24 0.00 -2.04 0.00 0.00 64.05 61.85 1x0o n THR 23 Cb 0.42 -0.68 -0.17 0.00 -1.82 0.00 0.00 70.33 68.08 1x0o n THR 23 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 1x0o s PHE 24 N -2.05 0.96 -0.01 -1.42 5.36 -0.41 -4.97 117.98 115.43 1x0o s PHE 24 Ca -0.03 -0.36 0.03 0.00 -0.96 0.00 0.00 56.93 55.61 1x0o s PHE 24 Cb 0.01 -0.92 -0.00 0.00 -0.34 0.00 0.00 43.02 41.76 1x0o s PHE 24 CO 0.06 -0.36 -0.10 0.08 -1.46 0.00 0.00 175.22 173.43 1x0o s VAL 25 N 1.68 0.84 0.29 3.12 1.01 -1.26 -1.53 120.40 124.55 1x0o s VAL 25 Ca 0.02 -0.44 -0.16 0.00 0.00 0.00 0.00 61.98 61.40 1x0o s VAL 25 Cb -0.13 -0.72 -0.09 0.00 0.00 0.00 0.00 36.38 35.45 1x0o s VAL 25 CO -0.05 0.24 0.73 -0.62 0.00 0.00 0.00 175.10 175.41 1x0o s ASP 26 N -0.12 6.86 0.49 3.32 -1.08 -1.21 -4.76 116.67 120.18 1x0o s ASP 26 Ca 0.02 1.33 0.27 0.00 -0.52 0.00 0.00 52.55 53.64 1x0o s ASP 26 Cb -0.06 -2.39 1.47 0.00 -1.46 0.00 0.00 42.92 40.49 1x0o s ASP 26 CO -0.00 -0.13 1.80 0.45 0.52 0.00 0.00 175.17 177.81 1x0o h HIS 27 N 2.62 0.00 0.00 -5.34 3.86 -1.96 -0.15 115.15 114.18 1x0o h HIS 27 Ca -0.48 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.73 1x0o h HIS 27 Cb 1.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.65 1x0o h HIS 27 CO 0.62 0.00 0.00 0.54 0.86 0.00 0.00 177.93 179.95 1x0o n ARG 28 N -2.56 0.08 -0.21 2.45 1.74 -1.26 -1.92 116.66 114.97 1x0o n ARG 28 Ca -0.02 0.52 0.17 0.00 -0.77 0.00 0.00 57.85 57.76 1x0o n ARG 28 Cb 0.21 -1.72 0.51 0.00 -1.02 0.00 0.00 32.46 30.43 1x0o n ARG 28 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x0o h VAL 30 N 0.41 1.25 -0.13 0.00 2.07 -0.57 0.11 116.25 119.39 1x0o h VAL 30 Ca 0.43 -0.92 -0.07 0.00 0.82 0.00 0.00 66.70 66.96 1x0o h VAL 30 Cb 1.03 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 31.78 1x0o h VAL 30 CO -0.15 0.32 -0.18 0.00 0.02 0.00 0.00 177.57 177.58 1x0o h ALA 31 N 0.94 0.20 0.79 1.67 0.00 -1.60 0.16 119.26 121.42 1x0o h ALA 31 Ca 0.13 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1x0o h ALA 31 Cb 0.40 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.16 1x0o h ALA 31 CO 0.01 0.11 -0.38 1.15 0.00 0.00 0.00 179.25 180.14 1x0o h THR 32 N -0.05 0.20 0.00 0.00 2.02 -1.39 -3.40 112.91 110.29 1x0o h THR 32 Ca 0.01 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 1x0o h THR 32 Cb 0.73 0.21 -0.00 0.00 -1.74 0.00 0.00 68.15 67.36 1x0o h THR 32 CO 0.04 0.00 -0.36 1.33 0.37 0.00 0.00 175.52 176.91 1x0o n VAL 33 N -5.54 0.54 0.00 3.16 0.24 0.34 -4.94 118.33 112.14 1x0o n VAL 33 Ca -0.15 -0.65 0.00 0.00 -2.04 0.00 0.00 64.34 61.51 1x0o n VAL 33 Cb 0.43 0.29 0.00 0.00 -1.47 0.00 0.00 33.84 33.09 1x0o n VAL 33 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1x0o n GLY 34 N -0.41 2.32 3.81 7.63 0.00 0.55 -1.32 105.19 117.77 1x0o n GLY 34 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 1x0o n GLY 34 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x0o s TYR 35 N -0.53 3.21 0.12 1.61 2.02 -1.24 -4.66 117.35 117.89 1x0o s TYR 35 Ca 0.00 1.58 -0.14 0.00 -0.37 0.00 0.00 57.07 58.14 1x0o s TYR 35 Cb 0.00 -2.92 -0.07 0.00 -0.40 0.00 0.00 41.96 38.57 1x0o s TYR 35 CO 0.00 -0.42 0.52 -0.65 -1.57 0.00 0.00 175.55 173.43 1x0o s GLN 36 N -3.35 3.95 0.27 -0.62 -1.52 -1.26 -1.52 119.66 115.61 1x0o s GLN 36 Ca 0.63 0.44 -0.02 0.00 -1.95 0.00 0.00 55.36 54.47 1x0o s GLN 36 Cb -0.12 -2.97 0.58 0.00 -0.22 0.00 0.00 33.01 30.27 1x0o s GLN 36 CO 0.19 0.51 1.65 -1.35 -0.25 0.00 0.00 175.29 176.03 1x0o h PRO 37 N 3.70 0.17 -0.36 2.91 0.11 -1.86 0.16 132.00 136.84 1x0o h PRO 37 Ca -0.49 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 1x0o h PRO 37 Cb 1.20 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1x0o h PRO 37 CO 0.66 0.11 0.05 1.96 -0.21 0.00 0.00 178.00 180.57 1x0o h GLN 38 N 0.18 0.54 0.00 1.05 1.08 -1.93 -2.19 115.11 113.82 1x0o h GLN 38 Ca 0.48 -0.10 -0.06 0.00 -1.45 0.00 0.00 58.65 57.52 1x0o h GLN 38 Cb 0.92 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 28.25 1x0o h GLN 38 CO -0.65 0.52 -0.31 0.93 -0.95 0.00 0.00 178.83 178.38 1x0o h GLU 39 N 0.52 0.00 0.00 1.46 4.39 -1.06 -2.25 114.58 117.64 1x0o h GLU 39 Ca 0.12 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.67 1x0o h GLU 39 Cb 0.26 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 1x0o h GLU 39 CO 0.00 0.31 -0.77 -0.07 -1.16 0.00 0.00 179.01 177.32 1x0o h LEU 40 N 0.00 0.00 -8.80 1.33 3.38 -1.21 -3.43 115.31 106.58 1x0o h LEU 40 Ca -0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 1x0o h LEU 40 Cb 0.61 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1x0o h LEU 40 CO 0.04 0.70 1.44 -0.76 0.09 0.00 0.00 178.44 179.95 1x0o s LEU 41 N -6.50 3.43 0.00 1.67 1.43 -0.85 -0.52 118.68 117.34 1x0o s LEU 41 Ca 0.02 1.32 0.00 0.00 -1.03 0.00 0.00 54.13 54.44 1x0o s LEU 41 Cb 0.08 -3.16 0.00 0.00 0.03 0.00 0.00 46.19 43.14 1x0o s LEU 41 CO 0.78 -2.14 0.00 0.61 0.23 0.00 0.00 176.35 175.83 1x0o n GLY 42 N 5.70 2.08 3.81 -3.19 0.00 -1.23 -5.03 105.19 107.34 1x0o n GLY 42 Ca 0.28 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.05 1x0o n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x0o s LYS 43 N 0.00 2.92 0.12 1.61 -0.14 0.32 -4.96 119.74 119.61 1x0o s LYS 43 Ca 0.00 -0.93 -0.07 0.00 -1.36 0.00 0.00 55.97 53.61 1x0o s LYS 43 Cb 0.00 -2.62 -0.06 0.00 -1.68 0.00 0.00 37.83 33.47 1x0o s LYS 43 CO 0.00 0.45 0.39 1.21 -0.76 0.00 0.00 175.35 176.64 1x0o s ASN 44 N -3.39 6.54 0.58 2.83 3.84 -1.26 -2.19 114.94 121.89 1x0o s ASN 44 Ca 0.32 0.66 0.32 0.00 0.21 0.00 0.00 52.86 54.37 1x0o s ASN 44 Cb -0.09 -2.12 1.79 0.00 -0.55 0.00 0.00 41.25 40.28 1x0o s ASN 44 CO 0.24 0.09 2.20 -0.29 -2.79 0.00 0.00 177.10 176.55 1x0o h ILE 45 N 2.33 0.41 0.00 -5.21 2.10 -1.34 -0.64 117.51 115.16 1x0o h ILE 45 Ca -0.47 -0.22 -0.10 0.00 1.08 0.00 0.00 64.86 65.15 1x0o h ILE 45 Cb 1.17 1.15 -0.01 0.00 -1.09 0.00 0.00 36.82 38.04 1x0o h ILE 45 CO 0.70 0.04 -0.48 0.58 -1.08 0.00 0.00 178.15 177.92 1x0o h VAL 46 N 0.00 1.18 -0.64 2.19 2.07 -1.90 -2.16 116.25 116.99 1x0o h VAL 46 Ca -0.00 -1.74 0.01 0.00 0.82 0.00 0.00 66.70 65.79 1x0o h VAL 46 Cb 0.15 1.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.87 1x0o h VAL 46 CO 0.01 0.47 0.42 -0.33 0.02 0.00 0.00 177.57 178.16 1x0o h GLU 47 N 0.00 0.83 -0.32 1.57 4.39 -1.50 -2.01 114.58 117.55 1x0o h GLU 47 Ca -0.00 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1x0o h GLU 47 Cb 0.94 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.40 1x0o h GLU 47 CO 0.06 0.55 0.00 1.19 -1.16 0.00 0.00 179.01 179.65 1x0o n PHE 48 N -4.44 1.06 -3.43 4.33 3.72 -1.12 -4.96 117.46 112.63 1x0o n PHE 48 Ca 0.07 -0.82 -0.38 0.00 -0.05 0.00 0.00 57.45 56.27 1x0o n PHE 48 Cb 0.04 -0.31 -0.06 0.00 -0.94 0.00 0.00 39.48 38.21 1x0o n PHE 48 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1x0o n HIS 50 N 2.64 1.77 -0.07 0.00 -0.00 -0.54 -4.79 115.22 114.23 1x0o n HIS 50 Ca -0.11 0.76 0.26 0.00 0.46 0.00 0.00 57.72 59.09 1x0o n HIS 50 Cb 0.52 -2.35 0.69 0.00 -0.12 0.00 0.00 29.99 28.73 1x0o n HIS 50 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1x0o h PRO 51 N 5.86 0.00 -0.01 1.57 0.13 -1.92 0.72 132.00 138.35 1x0o h PRO 51 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1x0o h PRO 51 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1x0o h PRO 51 CO 0.91 0.00 -0.20 0.39 -0.23 0.00 0.00 178.00 178.87 1x0o n GLU 52 N -3.76 0.85 -0.02 0.86 1.02 -1.26 -3.81 120.64 114.53 1x0o n GLU 52 Ca 0.15 -0.45 0.07 0.00 -0.02 0.00 0.00 57.16 56.90 1x0o n GLU 52 Cb 0.94 -1.49 0.07 0.00 -0.02 0.00 0.00 31.44 30.94 1x0o n GLU 52 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1x0o n ASP 53 N -0.68 2.19 -0.11 1.62 9.92 0.25 -4.59 116.55 125.15 1x0o n ASP 53 Ca 0.13 -1.59 -0.05 0.00 -0.53 0.00 0.00 54.79 52.75 1x0o n ASP 53 Cb 0.33 -0.02 0.01 0.00 -0.64 0.00 0.00 41.12 40.80 1x0o n ASP 53 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 1x0o h GLN 54 N 2.58 0.03 0.00 -1.24 7.50 -1.65 0.20 115.11 122.54 1x0o h GLN 54 Ca 0.00 -0.00 -0.14 0.00 0.50 0.00 0.00 58.65 59.01 1x0o h GLN 54 Cb 0.57 -0.01 -0.02 0.00 0.05 0.00 0.00 27.48 28.07 1x0o h GLN 54 CO 0.00 0.02 -0.68 1.96 -1.50 0.00 0.00 178.83 178.63 1x0o h GLN 55 N 0.03 0.00 -0.15 1.46 1.08 -1.88 0.33 115.11 115.98 1x0o h GLN 55 Ca 0.18 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.39 1x0o h GLN 55 Cb 0.27 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.68 1x0o h GLN 55 CO -0.35 0.68 0.05 1.25 -0.95 0.00 0.00 178.83 179.51 1x0o h LEU 56 N 0.00 0.05 -0.03 1.46 5.85 -1.53 0.26 115.31 121.37 1x0o h LEU 56 Ca -0.01 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1x0o h LEU 56 Cb 1.21 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.25 1x0o h LEU 56 CO 0.09 0.05 -0.00 -0.07 -0.34 0.00 0.00 178.44 178.17 1x0o h LEU 57 N 0.12 0.06 -0.20 2.25 3.38 -0.57 -2.54 115.31 117.81 1x0o h LEU 57 Ca 0.07 -0.33 0.05 0.00 0.09 0.00 0.00 57.88 57.75 1x0o h LEU 57 Cb 0.04 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 1x0o h LEU 57 CO -0.07 0.38 -0.11 -0.09 0.09 0.00 0.00 178.44 178.64 1x0o h ARG 58 N -0.26 -0.09 -0.57 1.13 2.43 -0.73 0.21 114.38 116.50 1x0o h ARG 58 Ca 0.01 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 1x0o h ARG 58 Cb 0.35 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 1x0o h ARG 58 CO 0.00 -0.06 0.28 0.22 -1.51 0.00 0.00 179.97 178.90 1x0o h ASP 59 N -0.09 0.74 0.39 -3.80 1.82 -0.55 -0.95 116.42 113.98 1x0o h ASP 59 Ca 0.11 -0.13 -0.13 0.00 -0.39 0.00 0.00 57.03 56.49 1x0o h ASP 59 Cb 0.26 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.07 1x0o h ASP 59 CO -0.26 0.66 -0.57 0.28 -1.61 0.00 0.00 179.24 177.75 1x0o h SER 60 N 0.77 0.21 0.25 2.28 0.02 -0.96 0.22 113.55 116.34 1x0o h SER 60 Ca 0.20 -0.11 -0.12 0.00 -0.84 0.00 0.00 61.79 60.92 1x0o h SER 60 Cb 0.11 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 1x0o h SER 60 CO -0.03 0.73 -0.47 -0.26 -1.14 0.00 0.00 176.83 175.67 1x0o h PHE 61 N 0.14 0.31 0.00 3.45 0.04 -0.32 -2.40 116.94 118.17 1x0o h PHE 61 Ca -0.00 -0.10 -0.13 0.00 2.80 0.00 0.00 57.97 60.55 1x0o h PHE 61 Cb 1.04 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 39.11 1x0o h PHE 61 CO 0.02 0.68 -0.60 1.96 -0.60 0.00 0.00 178.31 179.77 1x0o h GLN 62 N 0.21 0.00 -0.20 1.51 1.08 -0.28 -2.51 115.11 114.92 1x0o h GLN 62 Ca 0.01 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1x0o h GLN 62 Cb 0.91 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.33 1x0o h GLN 62 CO 0.07 0.60 0.11 1.96 -0.95 0.00 0.00 178.83 180.62 1x0o h GLN 63 N 0.00 0.28 0.00 1.46 1.08 -0.11 -0.86 115.11 116.95 1x0o h GLN 63 Ca -0.01 -0.03 -0.05 0.00 -1.45 0.00 0.00 58.65 57.12 1x0o h GLN 63 Cb 1.10 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.47 1x0o h GLN 63 CO 0.08 0.25 -0.23 -0.24 -0.95 0.00 0.00 178.83 177.74 1x0o h VAL 64 N 0.23 0.57 0.00 -0.54 3.04 -1.41 0.38 116.25 118.51 1x0o h VAL 64 Ca 0.07 -1.10 -0.07 0.00 -1.01 0.00 0.00 66.70 64.59 1x0o h VAL 64 Cb 0.05 1.75 -0.01 0.00 -2.01 0.00 0.00 31.29 31.07 1x0o h VAL 64 CO -0.01 0.22 -0.33 0.58 -1.01 0.00 0.00 177.57 177.02 1x0o h VAL 65 N 0.00 0.79 0.22 1.51 2.07 -1.04 0.21 116.25 120.02 1x0o h VAL 65 Ca -0.00 -1.40 -0.34 0.00 0.82 0.00 0.00 66.70 65.78 1x0o h VAL 65 Cb 0.73 1.88 0.02 0.00 -1.52 0.00 0.00 31.29 32.40 1x0o h VAL 65 CO 0.03 0.32 -1.62 0.11 0.02 0.00 0.00 177.57 176.44 1x0o h LYS 66 N 0.00 0.47 0.22 1.57 1.57 0.23 -3.37 116.57 117.25 1x0o h LYS 66 Ca -0.00 -0.79 -0.01 0.00 -1.87 0.00 0.00 60.65 57.97 1x0o h LYS 66 Cb 0.85 0.30 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1x0o h LYS 66 CO 0.04 1.38 -0.11 -0.07 -0.57 0.00 0.00 179.45 180.13 1x0o h LEU 67 N 0.13 -0.25 -2.19 2.94 3.38 -0.20 -3.49 115.31 115.63 1x0o h LEU 67 Ca -0.30 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1x0o h LEU 67 Cb 2.14 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 42.92 1x0o h LEU 67 CO 0.23 0.13 -1.12 0.29 0.09 0.00 0.00 178.44 178.06 1x0o n LYS 68 N -5.06 -3.58 0.00 1.13 5.02 0.74 -4.49 118.16 111.92 1x0o n LYS 68 Ca -0.09 2.84 0.00 0.00 -2.02 0.00 0.00 58.31 59.04 1x0o n LYS 68 Cb 0.25 -5.06 0.00 0.00 -0.02 0.00 0.00 35.03 30.20 1x0o n LYS 68 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x0o n GLY 69 N 0.99 2.60 3.87 0.72 0.00 -1.21 -4.99 105.19 107.17 1x0o n GLY 69 Ca -0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 1x0o n GLY 69 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x0o s GLN 70 N -0.64 3.63 -0.03 1.61 -1.52 -1.26 -4.88 119.66 116.57 1x0o s GLN 70 Ca 0.00 0.04 -0.30 0.00 -1.95 0.00 0.00 55.36 53.15 1x0o s GLN 70 Cb 0.00 -3.13 -0.03 0.00 -0.22 0.00 0.00 33.01 29.63 1x0o s GLN 70 CO 0.00 0.68 1.11 0.54 -0.25 0.00 0.00 175.29 177.38 1x0o s VAL 71 N -1.19 4.45 -0.23 1.09 0.11 -1.26 -4.61 120.40 118.77 1x0o s VAL 71 Ca 0.24 1.75 0.02 0.00 -2.93 0.00 0.00 61.98 61.06 1x0o s VAL 71 Cb -0.14 -4.13 0.05 0.00 -1.53 0.00 0.00 36.38 30.63 1x0o s VAL 71 CO 0.13 0.05 -0.13 -0.22 -3.33 0.00 0.00 175.10 171.60 1x0o s LEU 72 N 1.71 2.88 -0.27 2.54 1.98 -0.23 -4.89 118.68 122.39 1x0o s LEU 72 Ca 0.54 -1.10 -0.10 0.00 -2.89 0.00 0.00 54.13 50.58 1x0o s LEU 72 Cb -0.23 -1.47 -0.04 0.00 0.66 0.00 0.00 46.19 45.10 1x0o s LEU 72 CO 0.24 -0.13 0.15 -0.55 -1.89 0.00 0.00 176.35 174.17 1x0o s SER 73 N 1.21 5.77 -0.04 3.68 0.15 -1.26 0.38 113.70 123.59 1x0o s SER 73 Ca -0.04 -0.06 0.06 0.00 0.70 0.00 0.00 55.95 56.62 1x0o s SER 73 Cb -0.17 -2.06 -0.01 0.00 -1.71 0.00 0.00 66.02 62.06 1x0o s SER 73 CO -0.08 -0.03 -0.23 0.54 1.20 0.00 0.00 173.24 174.64 1x0o s VAL 74 N 1.65 1.87 -0.14 4.45 0.11 0.21 -4.95 120.40 123.61 1x0o s VAL 74 Ca 0.07 -0.99 -0.01 0.00 -2.93 0.00 0.00 61.98 58.13 1x0o s VAL 74 Cb -0.16 -1.58 -0.01 0.00 -1.53 0.00 0.00 36.38 33.11 1x0o s VAL 74 CO 0.08 0.53 -0.12 -0.32 -3.33 0.00 0.00 175.10 171.94 1x0o s MET 75 N -0.29 3.38 0.36 1.54 1.75 -1.26 -0.26 119.30 124.52 1x0o s MET 75 Ca 0.02 -0.68 -0.07 0.00 -1.25 0.00 0.00 55.69 53.71 1x0o s MET 75 Cb -0.11 -2.68 0.02 0.00 2.84 0.00 0.00 34.83 34.90 1x0o s MET 75 CO 0.02 0.16 0.59 -0.59 -0.65 0.00 0.00 175.02 174.54 1x0o s PHE 76 N 0.50 0.77 -0.32 4.11 -0.71 -0.18 -5.00 117.98 117.16 1x0o s PHE 76 Ca -0.08 -1.15 -0.13 0.00 -1.04 0.00 0.00 56.93 54.53 1x0o s PHE 76 Cb -0.16 0.23 -0.03 0.00 -1.21 0.00 0.00 43.02 41.85 1x0o s PHE 76 CO 0.04 -1.30 0.24 1.03 -1.34 0.00 0.00 175.22 173.89 1x0o s ARG 77 N -2.74 3.64 -0.14 1.99 0.52 -1.26 -0.62 118.95 120.35 1x0o s ARG 77 Ca 0.26 -0.51 -0.16 0.00 -0.52 0.00 0.00 55.73 54.80 1x0o s ARG 77 Cb -0.02 -3.76 -0.04 0.00 0.52 0.00 0.00 34.95 31.64 1x0o s ARG 77 CO 0.18 -0.37 0.38 0.12 0.02 0.00 0.00 175.30 175.63 1x0o s PHE 78 N 1.77 3.48 -0.70 -0.53 2.19 0.25 -1.47 117.98 122.97 1x0o s PHE 78 Ca 0.07 0.73 -0.27 0.00 0.33 0.00 0.00 56.93 57.80 1x0o s PHE 78 Cb -0.17 -2.44 0.02 0.00 -1.31 0.00 0.00 43.02 39.11 1x0o s PHE 78 CO 0.11 0.20 1.43 0.50 1.83 0.00 0.00 175.22 179.29 1x0o s ARG 79 N 0.56 3.05 1.15 10.12 3.52 0.72 -2.08 118.95 135.99 1x0o s ARG 79 Ca 0.21 0.01 -0.17 0.00 -0.13 0.00 0.00 55.73 55.64 1x0o s ARG 79 Cb -0.14 -4.23 0.26 0.00 -1.56 0.00 0.00 34.95 29.28 1x0o s ARG 79 CO 0.07 -2.29 1.11 0.45 -0.81 0.00 0.00 175.30 173.82 1x0o s SER 80 N 4.89 1.35 0.30 -2.12 0.15 0.26 -4.86 113.70 113.67 1x0o s SER 80 Ca 0.44 0.77 0.24 0.00 0.70 0.00 0.00 55.95 58.10 1x0o s SER 80 Cb -0.09 -1.13 1.09 0.00 -1.71 0.00 0.00 66.02 64.18 1x0o s SER 80 CO 0.17 -3.88 1.73 0.50 1.20 0.00 0.00 173.24 172.96 1x0o h LYS 81 N -2.41 0.00 -0.59 5.44 1.63 -1.48 0.21 116.57 119.37 1x0o h LYS 81 Ca -0.48 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.32 1x0o h LYS 81 Cb 1.30 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.93 1x0o h LYS 81 CO 0.41 0.00 0.00 0.09 -3.45 0.00 0.00 179.45 176.50 1x0o n ASN 82 N -2.31 4.60 -1.01 4.20 3.02 -1.26 -4.91 115.26 117.59 1x0o n ASN 82 Ca 0.01 -2.49 -0.11 0.00 -0.03 0.00 0.00 54.58 51.96 1x0o n ASN 82 Cb 0.18 -0.55 -0.03 0.00 -0.61 0.00 0.00 39.78 38.76 1x0o n ASN 82 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x0o n GLN 83 N 0.92 -0.83 -3.20 3.52 3.00 0.06 -5.01 117.38 115.84 1x0o n GLN 83 Ca 0.24 0.78 -0.28 0.00 -0.01 0.00 0.00 57.00 57.74 1x0o n GLN 83 Cb 0.87 -4.81 -0.03 0.00 0.00 0.00 0.00 30.24 26.27 1x0o n GLN 83 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.06 175.23 1x0o s GLU 84 N -3.49 3.63 -0.72 -1.09 1.03 -1.25 -4.86 118.70 111.95 1x0o s GLU 84 Ca 0.00 0.06 0.01 0.00 0.03 0.00 0.00 54.97 55.06 1x0o s GLU 84 Cb 0.00 -2.58 0.18 0.00 -0.80 0.00 0.00 34.13 30.92 1x0o s GLU 84 CO 0.00 0.13 0.53 -1.58 -1.33 0.00 0.00 175.26 173.01 1x0o s TRP 85 N -2.21 3.57 0.51 4.83 0.52 -1.26 -0.57 118.94 124.32 1x0o s TRP 85 Ca 0.45 -3.05 -0.05 0.00 0.02 0.00 0.00 56.10 53.47 1x0o s TRP 85 Cb -0.10 -3.03 -0.02 0.00 -1.15 0.00 0.00 33.47 29.17 1x0o s TRP 85 CO 0.32 -0.71 0.80 -0.48 0.02 0.00 0.00 176.95 176.90 1x0o s LEU 86 N -0.88 3.51 -0.44 2.99 0.05 -0.88 -4.68 118.68 118.35 1x0o s LEU 86 Ca 0.22 0.78 -0.27 0.00 0.05 0.00 0.00 54.13 54.91 1x0o s LEU 86 Cb -0.13 -3.68 0.03 0.00 -2.05 0.00 0.00 46.19 40.36 1x0o s LEU 86 CO -0.09 -0.74 1.01 0.26 -0.55 0.00 0.00 176.35 176.24 1x0o s TRP 87 N -2.79 2.92 -0.07 3.48 0.52 -0.88 -0.58 118.94 121.55 1x0o s TRP 87 Ca 0.49 0.60 0.05 0.00 0.02 0.00 0.00 56.10 57.26 1x0o s TRP 87 Cb -0.10 -4.07 -0.00 0.00 -1.15 0.00 0.00 33.47 28.14 1x0o s TRP 87 CO 0.44 -1.10 -0.22 1.41 0.02 0.00 0.00 176.95 177.50 1x0o s MET 88 N 3.95 2.43 -0.21 4.98 -2.45 0.21 -0.41 119.30 127.81 1x0o s MET 88 Ca 0.41 -0.78 -0.03 0.00 -1.25 0.00 0.00 55.69 54.05 1x0o s MET 88 Cb -0.09 -1.98 -0.00 0.00 1.25 0.00 0.00 34.83 34.00 1x0o s MET 88 CO 0.26 0.26 -0.08 0.50 1.05 0.00 0.00 175.02 177.02 1x0o s ARG 89 N 0.11 3.31 -0.18 4.11 3.52 0.29 -1.01 118.95 129.10 1x0o s ARG 89 Ca -0.09 -0.66 -0.07 0.00 -0.13 0.00 0.00 55.73 54.78 1x0o s ARG 89 Cb -0.15 -2.90 -0.04 0.00 -1.56 0.00 0.00 34.95 30.31 1x0o s ARG 89 CO 0.05 -0.16 0.05 0.99 -0.81 0.00 0.00 175.30 175.41 1x0o s THR 90 N 1.34 4.61 -0.18 4.11 2.01 0.64 -2.02 115.64 126.14 1x0o s THR 90 Ca 0.04 -0.10 -0.16 0.00 0.31 0.00 0.00 61.69 61.79 1x0o s THR 90 Cb -0.14 -3.07 -0.04 0.00 0.01 0.00 0.00 72.50 69.25 1x0o s THR 90 CO -0.04 0.46 0.39 -0.94 -0.69 0.00 0.00 174.62 173.79 1x0o s SER 91 N 0.44 6.46 -0.22 3.53 1.04 -0.31 -0.61 113.70 124.03 1x0o s SER 91 Ca 0.02 0.54 -0.10 0.00 0.48 0.00 0.00 55.95 56.90 1x0o s SER 91 Cb -0.13 -2.23 -0.05 0.00 0.10 0.00 0.00 66.02 63.72 1x0o s SER 91 CO 0.01 -0.04 0.13 -0.44 0.98 0.00 0.00 173.24 173.89 1x0o s SER 92 N 0.89 6.07 -0.05 7.02 0.01 0.16 -1.90 113.70 125.91 1x0o s SER 92 Ca 0.19 0.15 0.04 0.00 1.31 0.00 0.00 55.95 57.63 1x0o s SER 92 Cb -0.14 -2.08 0.00 0.00 0.21 0.00 0.00 66.02 64.01 1x0o s SER 92 CO 0.07 0.12 -0.15 0.12 0.41 0.00 0.00 173.24 173.82 1x0o s PHE 93 N 0.72 1.54 -0.32 2.43 2.19 -0.81 -1.07 117.98 122.67 1x0o s PHE 93 Ca 0.07 -0.47 -0.09 0.00 0.33 0.00 0.00 56.93 56.77 1x0o s PHE 93 Cb -0.12 -1.06 0.00 0.00 -1.31 0.00 0.00 43.02 40.53 1x0o s PHE 93 CO 0.01 -0.18 0.14 0.95 1.83 0.00 0.00 175.22 177.97 1x0o s THR 94 N 0.20 4.40 -0.47 0.12 -4.23 -1.26 -0.23 115.64 114.17 1x0o s THR 94 Ca -0.06 -0.59 -0.26 0.00 -1.18 0.00 0.00 61.69 59.60 1x0o s THR 94 Cb -0.12 -3.30 0.03 0.00 1.34 0.00 0.00 72.50 70.45 1x0o s THR 94 CO 0.02 0.01 0.98 0.12 -0.54 0.00 0.00 174.62 175.21 1x0o s PHE 95 N 1.57 2.88 -0.16 3.99 5.36 -1.01 -3.33 117.98 127.28 1x0o s PHE 95 Ca 0.03 0.43 -0.26 0.00 -0.96 0.00 0.00 56.93 56.18 1x0o s PHE 95 Cb -0.17 -4.09 -0.01 0.00 -0.34 0.00 0.00 43.02 38.40 1x0o s PHE 95 CO 0.05 -1.17 0.85 -0.65 -1.46 0.00 0.00 175.22 172.85 1x0o s GLN 96 N 3.95 4.32 0.09 10.12 -0.21 -1.26 -2.26 119.66 134.41 1x0o s GLN 96 Ca 0.39 1.06 -0.31 0.00 0.02 0.00 0.00 55.36 56.52 1x0o s GLN 96 Cb -0.09 -3.57 -0.09 0.00 1.00 0.00 0.00 33.01 30.26 1x0o s GLN 96 CO 0.27 -0.32 1.61 1.21 -2.12 0.00 0.00 175.29 175.94 1x0o s ASN 97 N 1.14 6.62 0.61 5.90 3.84 0.74 -4.81 114.94 128.98 1x0o s ASN 97 Ca 0.39 2.49 0.29 0.00 0.21 0.00 0.00 52.86 56.24 1x0o s ASN 97 Cb -0.17 -2.57 1.56 0.00 -0.55 0.00 0.00 41.25 39.52 1x0o s ASN 97 CO 0.13 -0.85 1.94 1.55 -2.79 0.00 0.00 177.10 177.08 1x0o h PRO 98 N 7.89 0.00 0.00 0.43 0.13 -1.95 0.31 132.00 138.81 1x0o h PRO 98 Ca -0.42 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.67 1x0o h PRO 98 Cb 1.20 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.26 1x0o h PRO 98 CO 0.92 0.00 -0.53 2.48 -0.23 0.00 0.00 178.00 180.64 1x0o n TYR 99 N -3.47 0.00 0.00 1.56 4.11 -1.26 -4.70 117.16 113.40 1x0o n TYR 99 Ca 0.04 -1.21 0.00 0.00 -0.00 0.00 0.00 57.90 56.73 1x0o n TYR 99 Cb 0.51 -0.21 0.00 0.00 -0.00 0.00 0.00 39.34 39.64 1x0o n TYR 99 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1x0o n SER 100 N -0.83 0.00 0.00 9.48 2.88 -0.22 -5.01 113.62 119.91 1x0o n SER 100 Ca 0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 1x0o n SER 100 Cb 0.77 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.23 1x0o n SER 100 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1x0o n ASP 101 N -0.22 0.00 -4.64 -3.46 8.00 0.93 -4.93 116.55 112.22 1x0o n ASP 101 Ca 0.00 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.22 1x0o n ASP 101 Cb 0.00 -0.90 0.12 0.00 -0.02 0.00 0.00 41.12 40.31 1x0o n ASP 101 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1x0o s GLU 102 N -0.13 1.58 -0.31 -1.24 -1.05 -1.26 -4.62 118.70 111.66 1x0o s GLU 102 Ca 0.00 -0.26 -0.11 0.00 -0.15 0.00 0.00 54.97 54.46 1x0o s GLU 102 Cb 0.00 -2.01 -0.02 0.00 -0.44 0.00 0.00 34.13 31.66 1x0o s GLU 102 CO 0.00 -1.75 0.18 0.42 0.95 0.00 0.00 175.26 175.05 1x0o s ILE 103 N -3.55 4.87 0.05 1.83 1.01 -1.26 -0.19 121.20 123.97 1x0o s ILE 103 Ca 0.66 -0.26 -0.16 0.00 0.00 0.00 0.00 60.65 60.89 1x0o s ILE 103 Cb -0.08 -3.45 -0.23 0.00 0.01 0.00 0.00 42.46 38.71 1x0o s ILE 103 CO 0.49 0.09 1.17 1.05 0.00 0.00 0.00 174.94 177.74 1x0o h GLU 104 N 8.39 0.62 -2.42 2.79 4.11 -1.83 -3.49 114.58 122.74 1x0o h GLU 104 Ca -0.33 -0.65 0.20 0.00 0.07 0.00 0.00 59.36 58.65 1x0o h GLU 104 Cb 1.16 0.18 -0.04 0.00 0.50 0.00 0.00 28.75 30.54 1x0o h GLU 104 CO 0.61 1.25 0.64 1.52 0.07 0.00 0.00 179.01 183.10 1x0o s TYR 105 N -3.33 0.05 -0.11 2.06 -0.85 -1.26 -4.82 117.35 109.10 1x0o s TYR 105 Ca -0.11 -0.39 -0.04 0.00 -0.52 0.00 0.00 57.07 56.01 1x0o s TYR 105 Cb 0.06 0.67 -0.04 0.00 0.38 0.00 0.00 41.96 43.03 1x0o s TYR 105 CO 0.89 -0.79 0.05 0.42 -1.52 0.00 0.00 175.55 174.60 1x0o s ILE 106 N -2.21 4.77 -0.32 -3.49 1.01 -0.15 -2.40 121.20 118.41 1x0o s ILE 106 Ca 0.22 -0.07 -0.01 0.00 0.00 0.00 0.00 60.65 60.80 1x0o s ILE 106 Cb -0.02 -3.04 0.07 0.00 0.01 0.00 0.00 42.46 39.47 1x0o s ILE 106 CO 0.04 0.60 0.03 -0.63 0.00 0.00 0.00 174.94 174.98 1x0o s ILE 107 N -0.83 2.85 -0.06 2.92 1.01 0.68 -0.55 121.20 127.22 1x0o s ILE 107 Ca 0.13 -1.67 0.04 0.00 0.00 0.00 0.00 60.65 59.15 1x0o s ILE 107 Cb -0.12 -2.76 -0.02 0.00 0.01 0.00 0.00 42.46 39.57 1x0o s ILE 107 CO 0.03 -0.27 -0.16 0.00 0.00 0.00 0.00 174.94 174.54 1x0o s THR 109 N -0.49 5.26 -0.35 0.00 2.01 -0.80 -0.41 115.64 120.86 1x0o s THR 109 Ca 0.06 0.51 -0.09 0.00 0.31 0.00 0.00 61.69 62.48 1x0o s THR 109 Cb -0.12 -3.64 0.02 0.00 0.01 0.00 0.00 72.50 68.77 1x0o s THR 109 CO 0.02 0.29 0.16 0.20 -0.69 0.00 0.00 174.62 174.60 1x0o s ASN 110 N 1.03 5.55 -0.14 3.53 -0.87 0.60 -1.17 114.94 123.46 1x0o s ASN 110 Ca 0.15 -0.95 0.01 0.00 -1.57 0.00 0.00 52.86 50.50 1x0o s ASN 110 Cb -0.14 -1.97 -0.00 0.00 -0.02 0.00 0.00 41.25 39.12 1x0o s ASN 110 CO 0.06 -0.33 -0.18 -0.89 -2.57 0.00 0.00 177.10 173.20 1x0o s THR 111 N 1.52 2.48 -0.36 1.60 2.01 -0.86 -1.79 115.64 120.24 1x0o s THR 111 Ca 0.01 -0.84 -0.25 0.00 0.31 0.00 0.00 61.69 60.91 1x0o s THR 111 Cb -0.19 -2.02 0.01 0.00 0.01 0.00 0.00 72.50 70.32 1x0o s THR 111 CO 0.05 0.53 0.91 0.21 -0.69 0.00 0.00 174.62 175.63 1x0o s ASN 112 N 0.67 6.68 -0.22 3.53 3.84 -1.24 -0.55 114.94 127.64 1x0o s ASN 112 Ca -0.09 0.58 -0.18 0.00 0.21 0.00 0.00 52.86 53.39 1x0o s ASN 112 Cb -0.16 -2.46 -0.14 0.00 -0.55 0.00 0.00 41.25 37.94 1x0o s ASN 112 CO 0.02 -0.83 -0.04 0.52 -2.79 0.00 0.00 177.10 173.98 1x0o n VAL 113 N 5.92 1.52 -4.26 -5.21 0.31 0.46 -4.97 118.33 112.10 1x0o n VAL 113 Ca 0.07 -0.09 -0.16 0.00 -0.01 0.00 0.00 64.34 64.14 1x0o n VAL 113 Cb 0.48 -2.06 -0.06 0.00 -0.91 0.00 0.00 33.84 31.29 1x0o n VAL 113 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1x0o n LYS 114 N -4.40 0.39 0.00 5.55 5.02 -0.53 -5.01 118.16 119.18 1x0o n LYS 114 Ca -0.35 -2.62 0.00 0.00 -2.02 0.00 0.00 58.31 53.33 1x0o n LYS 114 Cb 0.68 1.98 0.00 0.00 -0.02 0.00 0.00 35.03 37.67 1x0o n LYS 114 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1x0o n ASN 115 N -1.90 3.94 0.00 4.39 2.85 -1.26 -2.06 115.26 121.21 1x0o n ASN 115 Ca 0.04 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.51 1x0o n ASN 115 Cb 0.47 0.37 0.00 0.00 1.24 0.00 0.00 39.78 41.86 1x0o n ASN 115 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1x0o n SER 116 N -1.74 0.00 -3.57 1.20 2.88 -1.26 -4.36 113.62 106.77 1x0o n SER 116 Ca 0.00 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.39 1x0o n SER 116 Cb 0.40 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.80 1x0o n SER 116 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x0o s SER 117 N -0.62 -0.51 -0.03 -3.46 0.01 -1.26 -5.07 113.70 102.75 1x0o s SER 117 Ca 0.00 0.39 -0.00 0.00 1.31 0.00 0.00 55.95 57.65 1x0o s SER 117 Cb 0.00 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.72 1x0o s SER 117 CO 0.00 -0.65 0.00 1.67 0.41 0.00 0.00 173.24 174.68 1x0o n GLN 118 N 0.71 -0.41 0.00 12.44 7.27 -1.26 -4.77 117.38 131.36 1x0o n GLN 118 Ca -0.19 0.77 0.00 0.00 0.07 0.00 0.00 57.00 57.65 1x0o n GLN 118 Cb 0.58 -1.49 0.00 0.00 2.41 0.00 0.00 30.24 31.74 1x0o n GLN 118 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22