#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x0o n ALA 2 N 0.00 0.00 -2.08 4.61 0.00 -1.26 -4.68 120.51 117.11 1x0o n ALA 2 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1x0o n ALA 2 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1x0o n ALA 2 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1x0o s MET 3 N 0.00 4.69 -0.17 0.00 1.75 -1.26 -4.02 119.30 120.28 1x0o s MET 3 Ca 0.00 1.34 -0.09 0.00 -1.25 0.00 0.00 55.69 55.69 1x0o s MET 3 Cb 0.00 -3.32 0.04 0.00 2.84 0.00 0.00 34.83 34.38 1x0o s MET 3 CO 0.00 0.39 0.18 -3.47 -0.65 0.00 0.00 175.02 171.47 1x0o n ASP 4 N 2.17 -1.45 -4.02 1.11 2.03 -1.26 -5.09 116.55 110.04 1x0o n ASP 4 Ca -0.01 1.13 -0.11 0.00 0.52 0.00 0.00 54.79 56.31 1x0o n ASP 4 Cb 0.49 -4.56 -0.11 0.00 -0.72 0.00 0.00 41.12 36.21 1x0o n ASP 4 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 1x0o s ASN 5 N -0.67 0.56 -0.09 1.67 0.01 -1.26 -3.08 114.94 112.07 1x0o s ASN 5 Ca -0.21 -0.50 0.02 0.00 -0.71 0.00 0.00 52.86 51.46 1x0o s ASN 5 Cb 0.01 0.06 0.01 0.00 0.41 0.00 0.00 41.25 41.75 1x0o s ASN 5 CO 0.66 -0.23 -0.14 0.54 -1.51 0.00 0.00 177.10 176.42 1x0o s VAL 6 N -1.34 1.34 -0.32 1.60 0.11 -1.26 -4.94 120.40 115.58 1x0o s VAL 6 Ca -0.12 -0.56 -0.11 0.00 -2.93 0.00 0.00 61.98 58.26 1x0o s VAL 6 Cb -0.10 -1.23 0.01 0.00 -1.53 0.00 0.00 36.38 33.54 1x0o s VAL 6 CO -0.00 0.41 0.41 0.00 -3.33 0.00 0.00 175.10 172.58 1x0o s GLN 8 N -2.13 1.79 0.79 0.00 1.11 -1.26 -5.11 119.66 114.85 1x0o s GLN 8 Ca 0.17 -1.61 -0.14 0.00 0.01 0.00 0.00 55.36 53.79 1x0o s GLN 8 Cb -0.05 -1.89 0.07 0.00 -1.01 0.00 0.00 33.01 30.13 1x0o s GLN 8 CO 0.60 0.36 1.20 -2.14 0.01 0.00 0.00 175.29 175.32 1x0o s PRO 9 N -3.30 1.77 -0.15 2.91 0.02 -1.26 -4.76 135.00 130.23 1x0o s PRO 9 Ca 0.28 1.73 0.01 0.00 0.02 0.00 0.00 61.00 63.04 1x0o s PRO 9 Cb -0.06 -1.79 0.17 0.00 0.02 0.00 0.00 34.50 32.84 1x0o s PRO 9 CO 0.15 -2.11 1.49 2.41 -0.33 0.00 0.00 177.00 178.61 1x0o n THR 10 N -3.17 1.88 -3.80 0.99 -1.04 -1.26 -4.08 114.28 103.79 1x0o n THR 10 Ca 0.13 -0.74 -0.13 0.00 -2.04 0.00 0.00 64.05 61.27 1x0o n THR 10 Cb 0.51 -1.02 -0.14 0.00 -1.82 0.00 0.00 70.33 67.86 1x0o n THR 10 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 1x0o s GLU 11 N -0.98 0.10 0.10 -2.82 -1.05 -1.26 -1.48 118.70 111.30 1x0o s GLU 11 Ca 0.17 0.23 0.05 0.00 -0.15 0.00 0.00 54.97 55.27 1x0o s GLU 11 Cb 0.14 -0.05 -0.03 0.00 -0.44 0.00 0.00 34.13 33.74 1x0o s GLU 11 CO 0.02 -0.08 -0.13 -0.59 0.95 0.00 0.00 175.26 175.43 1x0o s PHE 12 N 0.53 1.28 -0.20 4.83 -0.71 -0.08 -4.79 117.98 118.85 1x0o s PHE 12 Ca -0.04 -0.55 -0.08 0.00 -1.04 0.00 0.00 56.93 55.22 1x0o s PHE 12 Cb -0.06 -0.69 -0.04 0.00 -1.21 0.00 0.00 43.02 41.02 1x0o s PHE 12 CO -0.02 0.09 0.09 0.42 -1.34 0.00 0.00 175.22 174.45 1x0o s ILE 13 N -1.95 4.93 -0.01 -4.49 1.01 -1.26 -0.44 121.20 119.00 1x0o s ILE 13 Ca 0.05 0.02 0.05 0.00 0.00 0.00 0.00 60.65 60.77 1x0o s ILE 13 Cb -0.06 -3.24 -0.01 0.00 0.01 0.00 0.00 42.46 39.15 1x0o s ILE 13 CO 0.02 0.44 -0.17 -0.55 0.00 0.00 0.00 174.94 174.68 1x0o s SER 14 N 0.53 1.97 -0.21 3.58 0.15 -0.01 -1.80 113.70 117.91 1x0o s SER 14 Ca 0.05 -0.32 -0.04 0.00 0.70 0.00 0.00 55.95 56.33 1x0o s SER 14 Cb -0.12 -0.21 -0.01 0.00 -1.71 0.00 0.00 66.02 63.96 1x0o s SER 14 CO 0.01 0.19 -0.02 -0.13 1.20 0.00 0.00 173.24 174.48 1x0o s ARG 15 N -0.49 3.46 0.04 5.44 0.52 0.72 -0.24 118.95 128.40 1x0o s ARG 15 Ca 0.06 -0.59 0.00 0.00 -0.52 0.00 0.00 55.73 54.69 1x0o s ARG 15 Cb -0.07 -3.04 -0.03 0.00 0.52 0.00 0.00 34.95 32.34 1x0o s ARG 15 CO -0.00 -0.12 -0.04 -3.38 0.02 0.00 0.00 175.30 171.77 1x0o s HIS 16 N 1.32 0.42 0.49 -0.53 -3.43 0.25 -0.41 115.29 113.39 1x0o s HIS 16 Ca 0.04 -0.71 -0.22 0.00 -0.80 0.00 0.00 55.06 53.37 1x0o s HIS 16 Cb -0.14 -0.29 -0.07 0.00 -1.43 0.00 0.00 32.58 30.65 1x0o s HIS 16 CO -0.01 -0.23 1.18 1.21 -2.00 0.00 0.00 174.74 174.89 1x0o s ASN 17 N -2.00 5.95 0.60 7.38 3.84 0.78 -0.29 114.94 131.19 1x0o s ASN 17 Ca -0.07 2.34 0.28 0.00 0.21 0.00 0.00 52.86 55.63 1x0o s ASN 17 Cb -0.04 -2.60 1.38 0.00 -0.55 0.00 0.00 41.25 39.44 1x0o s ASN 17 CO -0.04 -1.07 1.78 0.16 -2.79 0.00 0.00 177.10 175.15 1x0o h ILE 18 N 1.68 0.27 0.00 -5.21 3.07 -1.89 0.71 117.51 116.13 1x0o h ILE 18 Ca -0.50 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.91 1x0o h ILE 18 Cb 1.26 0.50 0.00 0.00 -0.27 0.00 0.00 36.82 38.31 1x0o h ILE 18 CO 0.59 0.00 0.00 -0.62 -1.05 0.00 0.00 178.15 177.07 1x0o n GLU 19 N -3.56 0.04 0.00 0.16 1.02 -1.26 -4.84 120.64 112.20 1x0o n GLU 19 Ca 0.10 0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.35 1x0o n GLU 19 Cb 0.81 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.73 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 0.84 1.11 3.65 0.62 0.00 0.24 -4.89 105.19 106.76 1x0o n GLY 20 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 4.97 0.04 -0.61 -1.09 -1.01 -0.91 121.20 120.59 1x0o s ILE 21 Ca 0.00 1.27 -0.30 0.00 -2.23 0.00 0.00 60.65 59.38 1x0o s ILE 21 Cb 0.00 -3.98 -0.07 0.00 -1.58 0.00 0.00 42.46 36.83 1x0o s ILE 21 CO 0.00 0.06 1.45 -0.36 -1.23 0.00 0.00 174.94 174.85 1x0o s PHE 22 N 2.22 2.85 -0.13 3.97 0.08 -0.97 -0.16 117.98 125.84 1x0o s PHE 22 Ca 0.30 0.75 0.02 0.00 0.12 0.00 0.00 56.93 58.11 1x0o s PHE 22 Cb -0.16 -3.72 -0.09 0.00 -0.57 0.00 0.00 43.02 38.48 1x0o s PHE 22 CO 0.10 -2.71 -0.11 2.41 -0.10 0.00 0.00 175.22 174.81 1x0o n THR 23 N 4.53 0.76 -3.78 0.64 -1.04 -0.70 -3.00 114.28 111.69 1x0o n THR 23 Ca 0.13 -0.30 -0.14 0.00 -2.04 0.00 0.00 64.05 61.70 1x0o n THR 23 Cb 0.43 -0.95 -0.15 0.00 -1.82 0.00 0.00 70.33 67.84 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 -2.27 -0.06 -0.02 -1.42 5.36 0.45 -4.98 117.98 115.04 1x0o s PHE 24 Ca -0.17 0.26 0.03 0.00 -0.96 0.00 0.00 56.93 56.10 1x0o s PHE 24 Cb 0.05 -0.12 -0.00 0.00 -0.34 0.00 0.00 43.02 42.60 1x0o s PHE 24 CO 0.32 -0.10 -0.12 0.08 -1.46 0.00 0.00 175.22 173.94 1x0o s VAL 25 N 0.85 0.96 0.46 3.12 1.01 -1.26 -0.20 120.40 125.33 1x0o s VAL 25 Ca -0.07 -0.49 -0.21 0.00 0.00 0.00 0.00 61.98 61.21 1x0o s VAL 25 Cb -0.09 -0.82 -0.09 0.00 0.00 0.00 0.00 36.38 35.38 1x0o s VAL 25 CO -0.03 0.28 1.02 -0.62 0.00 0.00 0.00 175.10 175.75 1x0o s ASP 26 N -0.07 6.52 0.40 3.32 -1.08 -0.74 -4.75 116.67 120.27 1x0o s ASP 26 Ca 0.01 1.91 0.26 0.00 -0.52 0.00 0.00 52.55 54.21 1x0o s ASP 26 Cb -0.07 -2.56 1.41 0.00 -1.46 0.00 0.00 42.92 40.24 1x0o s ASP 26 CO 0.00 -0.65 1.79 0.45 0.52 0.00 0.00 175.17 177.27 1x0o h HIS 27 N 1.80 0.00 0.00 -5.34 3.86 -1.93 -0.64 115.15 112.90 1x0o h HIS 27 Ca -0.49 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.72 1x0o h HIS 27 Cb 1.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.68 1x0o h HIS 27 CO 0.58 0.00 0.00 0.54 0.86 0.00 0.00 177.93 179.91 1x0o n ARG 28 N -2.43 0.42 -0.28 2.45 1.74 -1.26 -2.87 116.66 114.43 1x0o n ARG 28 Ca -0.02 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.09 1x0o n ARG 28 Cb 0.08 -1.50 0.23 0.00 -1.02 0.00 0.00 32.46 30.25 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 1.05 1.33 0.03 0.00 -1.51 -1.14 0.11 116.25 116.11 1x0o h VAL 30 Ca 0.35 -1.59 -0.00 0.00 -1.23 0.00 0.00 66.70 64.24 1x0o h VAL 30 Cb 0.08 1.79 0.00 0.00 -2.13 0.00 0.00 31.29 31.03 1x0o h VAL 30 CO -0.11 0.46 -0.01 0.00 -1.23 0.00 0.00 177.57 176.68 1x0o h ALA 31 N 1.44 -0.04 0.48 5.19 0.00 -1.66 -1.05 119.26 123.61 1x0o h ALA 31 Ca 0.01 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1x0o h ALA 31 Cb 0.84 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1x0o h ALA 31 CO 0.06 -0.08 -0.23 1.15 0.00 0.00 0.00 179.25 180.15 1x0o h THR 32 N -0.92 0.53 0.00 0.00 2.02 -1.24 -3.39 112.91 109.91 1x0o h THR 32 Ca -0.00 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.15 1x0o h THR 32 Cb 0.71 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1x0o h THR 32 CO 0.01 0.00 -0.02 1.33 0.37 0.00 0.00 175.52 177.21 1x0o n VAL 33 N -5.36 0.42 0.00 3.16 0.24 0.25 -4.93 118.33 112.11 1x0o n VAL 33 Ca -0.12 -0.44 0.00 0.00 -2.04 0.00 0.00 64.34 61.75 1x0o n VAL 33 Cb 0.27 0.75 0.00 0.00 -1.47 0.00 0.00 33.84 33.40 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 -0.23 2.70 3.79 7.63 0.00 -0.40 -0.45 105.19 118.23 1x0o n GLY 34 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.16 3.13 0.10 1.61 2.02 -1.20 -4.59 117.35 117.26 1x0o s TYR 35 Ca 0.00 1.61 -0.24 0.00 -0.37 0.00 0.00 57.07 58.07 1x0o s TYR 35 Cb 0.00 -3.09 -0.07 0.00 -0.40 0.00 0.00 41.96 38.40 1x0o s TYR 35 CO 0.00 -0.71 0.73 -0.65 -1.57 0.00 0.00 175.55 173.35 1x0o s GLN 36 N -2.88 4.48 0.26 -0.62 -1.52 -1.26 -1.55 119.66 116.56 1x0o s GLN 36 Ca 0.63 1.04 -0.11 0.00 -1.95 0.00 0.00 55.36 54.97 1x0o s GLN 36 Cb -0.19 -3.30 0.38 0.00 -0.22 0.00 0.00 33.01 29.68 1x0o s GLN 36 CO 0.23 0.46 1.57 -1.35 -0.25 0.00 0.00 175.29 175.95 1x0o h PRO 37 N 4.94 -0.01 -0.76 2.91 0.11 -1.85 0.30 132.00 137.65 1x0o h PRO 37 Ca -0.46 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.71 1x0o h PRO 37 Cb 1.21 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.26 1x0o h PRO 37 CO 0.68 -0.00 0.45 1.96 -0.21 0.00 0.00 178.00 180.87 1x0o h GLN 38 N -0.01 0.80 -0.28 1.05 4.20 -1.90 -1.18 115.11 117.79 1x0o h GLN 38 Ca 0.42 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 59.07 1x0o h GLN 38 Cb 0.67 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 1x0o h GLN 38 CO -0.96 0.53 0.09 0.93 -0.67 0.00 0.00 178.83 178.74 1x0o h GLU 39 N 0.82 0.39 0.00 1.46 4.39 -0.80 -1.44 114.58 119.41 1x0o h GLU 39 Ca 0.34 -0.05 -0.19 0.00 0.34 0.00 0.00 59.36 59.80 1x0o h GLU 39 Cb 0.18 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.73 1x0o h GLU 39 CO -0.18 0.35 -0.96 1.25 -1.16 0.00 0.00 179.01 178.32 1x0o h LEU 40 N 0.39 0.00 -9.25 1.33 5.85 -0.83 -3.44 115.31 109.36 1x0o h LEU 40 Ca 0.10 0.00 -0.55 0.00 0.84 0.00 0.00 57.88 58.27 1x0o h LEU 40 Cb 0.13 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.17 1x0o h LEU 40 CO -0.01 0.85 1.28 -0.76 -0.34 0.00 0.00 178.44 179.46 1x0o s LEU 41 N -6.54 4.18 0.00 2.25 1.43 -0.52 -1.68 118.68 117.80 1x0o s LEU 41 Ca 0.01 2.43 0.00 0.00 -1.03 0.00 0.00 54.13 55.54 1x0o s LEU 41 Cb 0.09 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.79 1x0o s LEU 41 CO 0.80 -1.27 0.00 0.61 0.23 0.00 0.00 176.35 176.72 1x0o n GLY 42 N 4.81 0.99 3.90 -3.19 0.00 -1.16 -4.98 105.19 105.56 1x0o n GLY 42 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.02 3.65 0.19 1.61 -0.14 -0.68 -4.86 119.74 119.49 1x0o s LYS 43 Ca 0.00 0.08 -0.18 0.00 -1.36 0.00 0.00 55.97 54.51 1x0o s LYS 43 Cb 0.00 -2.59 -0.08 0.00 -1.68 0.00 0.00 37.83 33.48 1x0o s LYS 43 CO 0.00 0.15 0.67 1.21 -0.76 0.00 0.00 175.35 176.62 1x0o s ASN 44 N -3.24 7.01 0.60 2.83 3.84 -1.26 -2.30 114.94 122.41 1x0o s ASN 44 Ca 0.45 1.33 0.30 0.00 0.21 0.00 0.00 52.86 55.15 1x0o s ASN 44 Cb -0.11 -2.38 1.77 0.00 -0.55 0.00 0.00 41.25 39.98 1x0o s ASN 44 CO 0.31 0.08 2.18 -0.29 -2.79 0.00 0.00 177.10 176.59 1x0o h ILE 45 N 2.85 0.46 0.00 -5.21 2.10 -1.37 -0.15 117.51 116.19 1x0o h ILE 45 Ca -0.48 0.00 -0.05 0.00 1.08 0.00 0.00 64.86 65.41 1x0o h ILE 45 Cb 1.20 0.92 -0.01 0.00 -1.09 0.00 0.00 36.82 37.83 1x0o h ILE 45 CO 0.65 0.00 -0.22 1.62 -1.08 0.00 0.00 178.15 179.12 1x0o h VAL 46 N 0.00 0.52 0.00 2.19 3.04 -1.92 -1.94 116.25 118.14 1x0o h VAL 46 Ca 0.04 -1.16 0.00 0.00 -1.01 0.00 0.00 66.70 64.57 1x0o h VAL 46 Cb 0.25 1.81 0.00 0.00 -2.01 0.00 0.00 31.29 31.33 1x0o h VAL 46 CO -0.00 0.22 0.00 -0.33 -1.01 0.00 0.00 177.57 176.45 1x0o h GLU 47 N 0.00 0.00 -0.05 4.17 5.08 -1.41 -2.41 114.58 119.97 1x0o h GLU 47 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1x0o h GLU 47 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1x0o h GLU 47 CO 0.03 0.00 0.00 1.19 -1.00 0.00 0.00 179.01 179.23 1x0o n PHE 48 N -2.98 0.14 -3.69 4.33 3.72 -1.03 -4.98 117.46 112.96 1x0o n PHE 48 Ca 0.02 -0.85 -0.36 0.00 -0.05 0.00 0.00 57.45 56.20 1x0o n PHE 48 Cb 0.35 -0.14 -0.07 0.00 -0.94 0.00 0.00 39.48 38.68 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 3.22 1.80 0.15 0.00 -0.00 -0.11 -4.75 115.22 115.53 1x0o n HIS 50 Ca -0.15 0.65 0.18 0.00 0.46 0.00 0.00 57.72 58.85 1x0o n HIS 50 Cb 0.52 -2.38 0.65 0.00 -0.12 0.00 0.00 29.99 28.66 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 6.04 0.00 -0.00 1.57 0.13 -1.91 0.47 132.00 138.29 1x0o h PRO 51 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1x0o h PRO 51 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1x0o h PRO 51 CO 0.89 0.00 -0.23 0.39 -0.23 0.00 0.00 178.00 178.82 1x0o n GLU 52 N -3.25 0.58 -0.00 0.86 1.02 -1.26 -3.74 120.64 114.84 1x0o n GLU 52 Ca 0.06 -0.28 0.05 0.00 -0.02 0.00 0.00 57.16 56.97 1x0o n GLU 52 Cb 0.72 -1.49 -0.08 0.00 -0.02 0.00 0.00 31.44 30.57 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 -0.96 2.17 -0.02 1.62 8.00 0.16 -4.57 116.55 122.95 1x0o n ASP 53 Ca 0.11 -0.16 0.22 0.00 0.71 0.00 0.00 54.79 55.68 1x0o n ASP 53 Cb 0.32 1.37 0.71 0.00 -0.02 0.00 0.00 41.12 43.50 1x0o n ASP 53 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1x0o h GLN 54 N 0.00 0.00 -0.01 -1.24 4.20 -1.58 0.27 115.11 116.75 1x0o h GLN 54 Ca 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1x0o h GLN 54 Cb 0.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.21 1x0o h GLN 54 CO 0.00 0.00 -0.10 1.96 -0.67 0.00 0.00 178.83 180.02 1x0o h GLN 55 N 0.00 0.09 0.00 1.46 1.08 -1.80 0.20 115.11 116.14 1x0o h GLN 55 Ca 0.28 -0.08 -0.07 0.00 -1.45 0.00 0.00 58.65 57.33 1x0o h GLN 55 Cb 1.17 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.61 1x0o h GLN 55 CO -0.00 0.77 -0.32 1.37 -0.95 0.00 0.00 178.83 179.70 1x0o h LEU 56 N -0.56 0.00 0.17 1.46 8.10 -1.62 -0.09 115.31 122.77 1x0o h LEU 56 Ca -0.01 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.97 1x0o h LEU 56 Cb 0.80 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.02 1x0o h LEU 56 CO 0.02 0.32 -0.08 0.25 -4.11 0.00 0.00 178.44 174.84 1x0o h LEU 57 N 0.00 -0.19 -0.37 0.17 5.85 -0.47 0.23 115.31 120.52 1x0o h LEU 57 Ca -0.00 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.61 1x0o h LEU 57 Cb 0.57 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.60 1x0o h LEU 57 CO 0.04 0.05 0.08 0.03 -0.34 0.00 0.00 178.44 178.30 1x0o h ARG 58 N -0.44 0.20 -0.80 1.25 3.08 -0.11 -1.58 114.38 115.98 1x0o h ARG 58 Ca -0.02 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1x0o h ARG 58 Cb 0.34 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.31 1x0o h ARG 58 CO 0.04 0.13 0.47 0.22 -1.07 0.00 0.00 179.97 179.76 1x0o h ASP 59 N 0.20 0.97 -0.58 7.04 3.58 -0.96 -2.47 116.42 124.20 1x0o h ASP 59 Ca 0.18 -0.07 -0.07 0.00 0.42 0.00 0.00 57.03 57.49 1x0o h ASP 59 Cb 0.20 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 40.98 1x0o h ASP 59 CO -0.23 0.76 0.10 0.77 -2.88 0.00 0.00 179.24 177.76 1x0o h SER 60 N 1.09 0.92 -0.78 2.28 4.64 -0.01 0.16 113.55 121.84 1x0o h SER 60 Ca 0.28 -0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1x0o h SER 60 Cb -0.02 -0.24 -0.04 0.00 -0.31 0.00 0.00 62.40 61.78 1x0o h SER 60 CO -0.05 0.94 0.50 -0.26 -0.87 0.00 0.00 176.83 177.09 1x0o h PHE 61 N 0.86 1.00 -0.33 4.77 0.04 -1.14 -0.60 116.94 121.54 1x0o h PHE 61 Ca 0.18 0.01 -0.13 0.00 2.80 0.00 0.00 57.97 60.84 1x0o h PHE 61 Cb 0.41 -0.34 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 1x0o h PHE 61 CO 0.03 0.65 -0.31 1.96 -0.60 0.00 0.00 178.31 180.04 1x0o h GLN 62 N 1.07 0.70 -0.15 1.51 1.08 -0.81 -2.38 115.11 116.14 1x0o h GLN 62 Ca 0.29 -0.32 -0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1x0o h GLN 62 Cb -0.09 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.32 1x0o h GLN 62 CO -0.06 0.92 0.07 1.96 -0.95 0.00 0.00 178.83 180.78 1x0o h GLN 63 N 0.60 0.21 0.00 1.46 1.08 0.47 -2.22 115.11 116.70 1x0o h GLN 63 Ca 0.07 -0.03 -0.05 0.00 -1.45 0.00 0.00 58.65 57.19 1x0o h GLN 63 Cb 0.82 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.20 1x0o h GLN 63 CO 0.07 0.24 -0.23 -0.24 -0.95 0.00 0.00 178.83 177.72 1x0o h VAL 64 N 0.12 0.60 0.00 -0.54 3.04 -1.10 0.41 116.25 118.78 1x0o h VAL 64 Ca 0.05 -1.10 -0.09 0.00 -1.01 0.00 0.00 66.70 64.55 1x0o h VAL 64 Cb 0.10 1.74 -0.01 0.00 -2.01 0.00 0.00 31.29 31.10 1x0o h VAL 64 CO -0.01 0.23 -0.42 0.58 -1.01 0.00 0.00 177.57 176.94 1x0o h VAL 65 N 0.00 1.10 0.04 1.51 2.07 -1.16 -2.63 116.25 117.18 1x0o h VAL 65 Ca -0.00 -1.56 -0.26 0.00 0.82 0.00 0.00 66.70 65.69 1x0o h VAL 65 Cb 0.72 1.89 -0.03 0.00 -1.52 0.00 0.00 31.29 32.35 1x0o h VAL 65 CO 0.03 0.42 -1.34 0.11 0.02 0.00 0.00 177.57 176.81 1x0o h LYS 66 N 0.00 0.08 -0.99 1.57 1.57 -0.61 -3.34 116.57 114.86 1x0o h LYS 66 Ca -0.00 -0.13 -0.26 0.00 -1.87 0.00 0.00 60.65 58.38 1x0o h LYS 66 Cb 0.86 0.05 -0.16 0.00 0.08 0.00 0.00 32.23 33.06 1x0o h LYS 66 CO 0.06 0.91 0.33 1.28 -0.57 0.00 0.00 179.45 181.45 1x0o n LEU 67 N -3.30 4.92 -3.67 2.94 4.77 0.13 -4.96 117.00 117.83 1x0o n LEU 67 Ca -0.09 -2.58 -0.36 0.00 -0.03 0.00 0.00 56.01 52.94 1x0o n LEU 67 Cb 1.00 -0.68 -0.12 0.00 -2.33 0.00 0.00 43.42 41.29 1x0o n LEU 67 CO 0.48 0.77 1.77 0.29 -1.33 0.00 0.00 177.39 179.37 1x0o n LYS 68 N -0.34 0.00 0.00 3.23 5.02 -1.03 0.36 118.16 125.39 1x0o n LYS 68 Ca 0.31 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 1x0o n LYS 68 Cb 1.11 -1.24 0.00 0.00 -0.02 0.00 0.00 35.03 34.88 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 5.49 0.92 3.87 0.72 0.00 -1.26 -5.06 105.19 109.87 1x0o n GLY 69 Ca 0.53 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.19 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 0.00 3.62 -0.19 1.61 -0.21 0.16 -5.03 119.66 119.61 1x0o s GLN 70 Ca 0.00 0.03 -0.29 0.00 0.02 0.00 0.00 55.36 55.12 1x0o s GLN 70 Cb 0.00 -3.13 -0.00 0.00 1.00 0.00 0.00 33.01 30.87 1x0o s GLN 70 CO 0.00 0.69 1.14 0.08 -2.12 0.00 0.00 175.29 175.08 1x0o s VAL 71 N -1.19 4.49 -0.25 1.09 1.01 -1.26 -4.69 120.40 119.61 1x0o s VAL 71 Ca 0.24 1.80 -0.03 0.00 0.00 0.00 0.00 61.98 63.99 1x0o s VAL 71 Cb -0.14 -4.16 0.02 0.00 0.00 0.00 0.00 36.38 32.10 1x0o s VAL 71 CO 0.12 -0.15 -0.04 -0.22 0.00 0.00 0.00 175.10 174.82 1x0o s LEU 72 N 3.26 3.28 -0.22 3.92 1.98 -0.74 -4.88 118.68 125.28 1x0o s LEU 72 Ca 0.49 -0.81 -0.10 0.00 -2.89 0.00 0.00 54.13 50.82 1x0o s LEU 72 Cb -0.18 -1.71 -0.05 0.00 0.66 0.00 0.00 46.19 44.91 1x0o s LEU 72 CO 0.11 -0.13 0.14 -0.94 -1.89 0.00 0.00 176.35 173.64 1x0o s SER 73 N 1.37 6.09 -0.12 3.68 1.04 -1.26 0.14 113.70 124.64 1x0o s SER 73 Ca 0.01 0.14 0.01 0.00 0.48 0.00 0.00 55.95 56.59 1x0o s SER 73 Cb -0.17 -2.09 -0.01 0.00 0.10 0.00 0.00 66.02 63.86 1x0o s SER 73 CO -0.03 0.11 -0.16 0.54 0.98 0.00 0.00 173.24 174.68 1x0o s VAL 74 N 0.81 2.80 -0.20 5.02 0.11 0.73 -4.93 120.40 124.74 1x0o s VAL 74 Ca 0.07 -0.75 -0.07 0.00 -2.93 0.00 0.00 61.98 58.30 1x0o s VAL 74 Cb -0.13 -2.15 -0.03 0.00 -1.53 0.00 0.00 36.38 32.53 1x0o s VAL 74 CO 0.02 0.53 0.05 -0.32 -3.33 0.00 0.00 175.10 172.05 1x0o s MET 75 N 0.34 3.82 0.38 1.54 1.75 -1.26 -0.23 119.30 125.64 1x0o s MET 75 Ca -0.13 -0.42 -0.15 0.00 -1.25 0.00 0.00 55.69 53.74 1x0o s MET 75 Cb -0.16 -3.19 0.05 0.00 2.84 0.00 0.00 34.83 34.37 1x0o s MET 75 CO 0.07 0.13 0.78 -0.59 -0.65 0.00 0.00 175.02 174.75 1x0o s PHE 76 N 0.74 0.15 -0.33 4.11 -0.71 -0.95 -5.01 117.98 115.99 1x0o s PHE 76 Ca 0.02 -0.81 -0.11 0.00 -1.04 0.00 0.00 56.93 54.99 1x0o s PHE 76 Cb -0.14 0.80 -0.01 0.00 -1.21 0.00 0.00 43.02 42.46 1x0o s PHE 76 CO 0.02 -1.55 0.20 1.03 -1.34 0.00 0.00 175.22 173.58 1x0o s ARG 77 N -2.38 3.37 -0.10 1.99 0.52 -1.25 -0.93 118.95 120.18 1x0o s ARG 77 Ca 0.16 -0.71 -0.08 0.00 -0.52 0.00 0.00 55.73 54.58 1x0o s ARG 77 Cb -0.05 -3.70 -0.04 0.00 0.52 0.00 0.00 34.95 31.68 1x0o s ARG 77 CO 0.12 -0.45 0.18 0.12 0.02 0.00 0.00 175.30 175.28 1x0o s PHE 78 N 1.66 3.61 -0.26 -0.53 2.19 0.94 -0.94 117.98 124.66 1x0o s PHE 78 Ca 0.05 0.58 -0.28 0.00 0.33 0.00 0.00 56.93 57.62 1x0o s PHE 78 Cb -0.17 -1.98 0.01 0.00 -1.31 0.00 0.00 43.02 39.56 1x0o s PHE 78 CO 0.08 0.72 0.99 0.50 1.83 0.00 0.00 175.22 179.35 1x0o s ARG 79 N -1.08 4.18 0.99 10.12 3.52 0.12 -0.82 118.95 135.98 1x0o s ARG 79 Ca 0.17 1.16 -0.16 0.00 -0.13 0.00 0.00 55.73 56.76 1x0o s ARG 79 Cb -0.13 -3.67 0.20 0.00 -1.56 0.00 0.00 34.95 29.80 1x0o s ARG 79 CO 0.06 -0.68 1.28 0.45 -0.81 0.00 0.00 175.30 175.60 1x0o s SER 80 N 1.36 2.88 0.00 -2.12 0.15 0.03 -4.90 113.70 111.10 1x0o s SER 80 Ca 0.42 0.37 0.14 0.00 0.70 0.00 0.00 55.95 57.58 1x0o s SER 80 Cb -0.14 -0.48 0.68 0.00 -1.71 0.00 0.00 66.02 64.36 1x0o s SER 80 CO 0.09 -2.89 1.41 1.17 1.20 0.00 0.00 173.24 174.22 1x0o n LYS 81 N -3.89 0.13 -0.39 5.44 3.00 0.40 -0.96 118.16 121.89 1x0o n LYS 81 Ca 0.14 0.19 0.09 0.00 -0.00 0.00 0.00 58.31 58.74 1x0o n LYS 81 Cb 0.60 -1.50 0.29 0.00 0.00 0.00 0.00 35.03 34.41 1x0o n LYS 81 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1x0o n ASN 82 N -1.36 3.93 -1.37 3.14 0.23 -1.26 -4.94 115.26 113.63 1x0o n ASN 82 Ca 0.06 -2.17 -0.14 0.00 -0.53 0.00 0.00 54.58 51.79 1x0o n ASN 82 Cb 0.13 -0.45 -0.03 0.00 -2.08 0.00 0.00 39.78 37.34 1x0o n ASN 82 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1x0o n GLN 83 N 1.12 -1.07 -3.34 -3.83 3.00 -0.13 -5.00 117.38 108.13 1x0o n GLN 83 Ca 0.22 0.84 -0.19 0.00 -0.01 0.00 0.00 57.00 57.86 1x0o n GLN 83 Cb 0.66 -5.04 -0.01 0.00 0.00 0.00 0.00 30.24 25.85 1x0o n GLN 83 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1x0o s GLU 84 N -3.99 2.89 -0.45 -1.09 0.41 -1.26 -4.87 118.70 110.34 1x0o s GLU 84 Ca 0.00 -1.20 0.04 0.00 -0.41 0.00 0.00 54.97 53.40 1x0o s GLU 84 Cb 0.00 -2.70 0.12 0.00 -1.78 0.00 0.00 34.13 29.77 1x0o s GLU 84 CO 0.00 -0.09 0.18 -1.58 -0.49 0.00 0.00 175.26 173.27 1x0o s TRP 85 N -2.30 3.41 0.28 1.61 0.52 -1.26 -0.79 118.94 120.41 1x0o s TRP 85 Ca 0.49 -3.11 -0.03 0.00 0.02 0.00 0.00 56.10 53.47 1x0o s TRP 85 Cb -0.08 -2.86 -0.05 0.00 -1.15 0.00 0.00 33.47 29.33 1x0o s TRP 85 CO 0.31 -0.82 0.52 -0.48 0.02 0.00 0.00 176.95 176.49 1x0o s LEU 86 N 0.18 4.09 -0.80 2.99 0.05 0.00 -4.46 118.68 120.73 1x0o s LEU 86 Ca 0.15 0.62 -0.26 0.00 0.05 0.00 0.00 54.13 54.68 1x0o s LEU 86 Cb -0.23 -3.43 0.04 0.00 -2.05 0.00 0.00 46.19 40.52 1x0o s LEU 86 CO -0.03 -0.17 1.31 0.26 -0.55 0.00 0.00 176.35 177.17 1x0o s TRP 87 N -2.06 2.35 -0.12 3.48 0.52 0.89 -0.04 118.94 123.95 1x0o s TRP 87 Ca 0.42 -0.25 -0.01 0.00 0.02 0.00 0.00 56.10 56.28 1x0o s TRP 87 Cb -0.11 -4.64 -0.02 0.00 -1.15 0.00 0.00 33.47 27.56 1x0o s TRP 87 CO 0.30 -2.03 -0.09 1.41 0.02 0.00 0.00 176.95 176.56 1x0o s MET 88 N 5.50 3.31 -0.38 4.98 -2.45 -0.10 -0.97 119.30 129.19 1x0o s MET 88 Ca 0.37 -0.62 -0.14 0.00 -1.25 0.00 0.00 55.69 54.06 1x0o s MET 88 Cb -0.06 -2.69 0.01 0.00 1.25 0.00 0.00 34.83 33.34 1x0o s MET 88 CO 0.09 0.32 0.27 0.50 1.05 0.00 0.00 175.02 177.24 1x0o s ARG 89 N 0.10 3.09 -0.25 4.11 3.52 -0.03 -2.23 118.95 127.27 1x0o s ARG 89 Ca -0.04 -0.92 -0.14 0.00 -0.13 0.00 0.00 55.73 54.49 1x0o s ARG 89 Cb -0.14 -3.88 -0.04 0.00 -1.56 0.00 0.00 34.95 29.33 1x0o s ARG 89 CO 0.04 -0.65 0.35 0.99 -0.81 0.00 0.00 175.30 175.21 1x0o s THR 90 N 1.67 5.21 -0.27 4.11 2.01 0.68 -2.51 115.64 126.54 1x0o s THR 90 Ca 0.05 0.55 -0.15 0.00 0.31 0.00 0.00 61.69 62.45 1x0o s THR 90 Cb -0.19 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 1x0o s THR 90 CO 0.09 0.21 0.38 -0.44 -0.69 0.00 0.00 174.62 174.17 1x0o s SER 91 N 1.39 6.26 0.13 3.53 0.01 0.55 -0.20 113.70 125.38 1x0o s SER 91 Ca 0.15 0.30 0.03 0.00 1.31 0.00 0.00 55.95 57.74 1x0o s SER 91 Cb -0.15 -2.21 -0.04 0.00 0.21 0.00 0.00 66.02 63.83 1x0o s SER 91 CO 0.09 -0.18 0.23 -0.55 0.41 0.00 0.00 173.24 173.24 1x0o s SER 92 N 1.62 6.16 -0.23 2.44 0.15 0.12 -0.53 113.70 123.44 1x0o s SER 92 Ca 0.15 0.13 -0.15 0.00 0.70 0.00 0.00 55.95 56.77 1x0o s SER 92 Cb -0.16 -1.81 0.07 0.00 -1.71 0.00 0.00 66.02 62.40 1x0o s SER 92 CO 0.10 0.08 0.57 0.12 1.20 0.00 0.00 173.24 175.31 1x0o s PHE 93 N -1.69 -0.78 -0.59 3.44 5.36 -0.89 -1.79 117.98 121.04 1x0o s PHE 93 Ca 0.34 1.68 -0.23 0.00 -0.96 0.00 0.00 56.93 57.76 1x0o s PHE 93 Cb -0.11 0.39 0.05 0.00 -0.34 0.00 0.00 43.02 43.01 1x0o s PHE 93 CO 0.27 -0.40 0.93 0.95 -1.46 0.00 0.00 175.22 175.52 1x0o s THR 94 N 1.13 4.38 -0.39 0.12 -4.23 -1.26 -0.23 115.64 115.16 1x0o s THR 94 Ca -0.07 -0.03 -0.29 0.00 -1.18 0.00 0.00 61.69 60.13 1x0o s THR 94 Cb -0.06 -4.59 0.00 0.00 1.34 0.00 0.00 72.50 69.20 1x0o s THR 94 CO -0.11 -1.25 1.51 0.12 -0.54 0.00 0.00 174.62 174.36 1x0o s PHE 95 N 3.94 2.24 0.06 3.99 5.36 0.56 -4.68 117.98 129.45 1x0o s PHE 95 Ca 0.26 0.66 0.05 0.00 -0.96 0.00 0.00 56.93 56.93 1x0o s PHE 95 Cb -0.15 -4.26 -0.04 0.00 -0.34 0.00 0.00 43.02 38.24 1x0o s PHE 95 CO 0.15 -2.25 -0.05 -0.65 -1.46 0.00 0.00 175.22 170.95 1x0o s GLN 96 N 5.11 2.44 -0.21 10.12 -0.21 -1.26 -1.18 119.66 134.47 1x0o s GLN 96 Ca 0.66 -0.84 -0.29 0.00 0.02 0.00 0.00 55.36 54.91 1x0o s GLN 96 Cb -0.16 -2.46 -0.03 0.00 1.00 0.00 0.00 33.01 31.35 1x0o s GLN 96 CO 0.33 0.56 1.71 1.21 -2.12 0.00 0.00 175.29 176.97 1x0o s ASN 97 N -1.91 6.27 0.52 5.90 2.47 0.08 -4.86 114.94 123.42 1x0o s ASN 97 Ca 0.21 1.70 0.29 0.00 0.42 0.00 0.00 52.86 55.48 1x0o s ASN 97 Cb -0.11 -2.53 1.61 0.00 -1.45 0.00 0.00 41.25 38.76 1x0o s ASN 97 CO 0.13 -1.33 1.89 1.55 -3.72 0.00 0.00 177.10 175.61 1x0o h PRO 98 N 11.23 0.00 -0.02 0.43 0.13 -1.98 0.51 132.00 142.30 1x0o h PRO 98 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1x0o h PRO 98 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1x0o h PRO 98 CO 1.00 0.00 -0.22 0.66 -0.23 0.00 0.00 178.00 179.21 1x0o n TYR 99 N -2.64 0.00 0.00 1.56 4.02 -1.26 -4.49 117.16 114.34 1x0o n TYR 99 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 1x0o n TYR 99 Cb 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.51 1x0o n TYR 99 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1x0o n SER 100 N 0.58 2.02 -0.44 7.72 7.64 0.48 -5.02 113.62 126.60 1x0o n SER 100 Ca 0.11 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.93 1x0o n SER 100 Cb 0.49 0.38 -0.02 0.00 -1.01 0.00 0.00 64.21 64.04 1x0o n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1x0o n ASP 101 N -0.66 -4.75 -4.80 6.43 2.03 0.15 -4.97 116.55 109.97 1x0o n ASP 101 Ca 0.00 0.14 -0.29 0.00 0.52 0.00 0.00 54.79 55.17 1x0o n ASP 101 Cb 0.02 -2.75 -0.06 0.00 -0.72 0.00 0.00 41.12 37.61 1x0o n ASP 101 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1x0o s GLU 102 N -2.06 2.94 -0.06 -0.67 -1.05 -1.26 -4.86 118.70 111.69 1x0o s GLU 102 Ca 0.00 -0.75 -0.21 0.00 -0.15 0.00 0.00 54.97 53.86 1x0o s GLU 102 Cb 0.00 -2.72 -0.04 0.00 -0.44 0.00 0.00 34.13 30.93 1x0o s GLU 102 CO 0.00 0.53 0.61 0.42 0.95 0.00 0.00 175.26 177.77 1x0o s ILE 103 N -1.56 5.03 -0.18 1.83 1.01 -1.26 -0.74 121.20 125.33 1x0o s ILE 103 Ca 0.30 1.25 -0.03 0.00 0.00 0.00 0.00 60.65 62.18 1x0o s ILE 103 Cb -0.11 -3.94 -0.22 0.00 0.01 0.00 0.00 42.46 38.19 1x0o s ILE 103 CO 0.23 0.33 0.10 -1.84 0.00 0.00 0.00 174.94 173.76 1x0o n GLU 104 N 3.37 0.71 -3.84 2.79 0.28 -0.33 -4.95 120.64 118.68 1x0o n GLU 104 Ca -0.05 0.21 0.01 0.00 -0.16 0.00 0.00 57.16 57.17 1x0o n GLU 104 Cb 0.51 -1.62 0.01 0.00 1.43 0.00 0.00 31.44 31.77 1x0o n GLU 104 CO 0.00 0.00 0.00 1.52 -0.16 0.00 0.00 177.13 178.49 1x0o s TYR 105 N -2.54 0.00 -0.02 -1.84 -0.85 -1.21 -4.88 117.35 106.02 1x0o s TYR 105 Ca -0.28 -0.18 -0.06 0.00 -0.52 0.00 0.00 57.07 56.03 1x0o s TYR 105 Cb 0.08 0.59 -0.04 0.00 0.38 0.00 0.00 41.96 42.96 1x0o s TYR 105 CO 0.69 -0.43 0.22 0.42 -1.52 0.00 0.00 175.55 174.94 1x0o s ILE 106 N -2.25 5.37 -0.23 -3.49 1.01 0.60 -0.33 121.20 121.88 1x0o s ILE 106 Ca 0.22 0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.95 1x0o s ILE 106 Cb 0.01 -3.53 0.03 0.00 0.01 0.00 0.00 42.46 38.98 1x0o s ILE 106 CO -0.00 0.40 -0.11 -0.63 0.00 0.00 0.00 174.94 174.60 1x0o s ILE 107 N -1.26 2.52 -0.07 2.92 1.01 0.68 -0.58 121.20 126.41 1x0o s ILE 107 Ca 0.25 -1.14 0.05 0.00 0.00 0.00 0.00 60.65 59.81 1x0o s ILE 107 Cb -0.13 -2.28 -0.01 0.00 0.01 0.00 0.00 42.46 40.05 1x0o s ILE 107 CO 0.15 0.23 -0.21 0.00 0.00 0.00 0.00 174.94 175.11 1x0o s THR 109 N -0.17 5.14 -0.35 0.00 2.01 0.31 -0.83 115.64 121.76 1x0o s THR 109 Ca -0.03 0.72 -0.07 0.00 0.31 0.00 0.00 61.69 62.62 1x0o s THR 109 Cb -0.14 -3.75 0.04 0.00 0.01 0.00 0.00 72.50 68.66 1x0o s THR 109 CO 0.04 0.16 0.14 0.20 -0.69 0.00 0.00 174.62 174.46 1x0o s ASN 110 N 1.44 5.42 -0.11 3.53 -0.87 0.42 -0.33 114.94 124.43 1x0o s ASN 110 Ca 0.18 -1.17 0.03 0.00 -1.57 0.00 0.00 52.86 50.33 1x0o s ASN 110 Cb -0.15 -1.91 -0.01 0.00 -0.02 0.00 0.00 41.25 39.16 1x0o s ASN 110 CO 0.09 -0.36 -0.20 -0.89 -2.57 0.00 0.00 177.10 173.17 1x0o s THR 111 N 1.43 2.44 -0.40 1.60 2.01 -1.04 -0.90 115.64 120.77 1x0o s THR 111 Ca -0.00 -0.88 -0.27 0.00 0.31 0.00 0.00 61.69 60.85 1x0o s THR 111 Cb -0.20 -1.97 0.02 0.00 0.01 0.00 0.00 72.50 70.36 1x0o s THR 111 CO 0.03 0.55 0.97 0.21 -0.69 0.00 0.00 174.62 175.69 1x0o s ASN 112 N 0.31 6.65 0.00 3.53 3.04 -0.55 -0.85 114.94 127.08 1x0o s ASN 112 Ca -0.15 0.50 0.00 0.00 0.04 0.00 0.00 52.86 53.25 1x0o s ASN 112 Cb -0.17 -2.48 0.00 0.00 -1.54 0.00 0.00 41.25 37.06 1x0o s ASN 112 CO 0.07 -0.97 0.00 0.52 -3.04 0.00 0.00 177.10 173.69 1x0o n VAL 113 N 6.20 0.00 -3.13 -5.21 0.31 -0.15 -4.95 118.33 111.40 1x0o n VAL 113 Ca 0.08 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.22 1x0o n VAL 113 Cb 0.48 -0.57 0.01 0.00 -0.91 0.00 0.00 33.84 32.85 1x0o n VAL 113 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1x0o s LYS 114 N 0.00 2.93 0.00 5.55 1.02 -1.08 -4.98 119.74 123.18 1x0o s LYS 114 Ca 0.00 -0.98 0.05 0.00 0.02 0.00 0.00 55.97 55.05 1x0o s LYS 114 Cb 0.00 -2.72 0.12 0.00 -0.52 0.00 0.00 37.83 34.71 1x0o s LYS 114 CO 0.00 -0.20 1.03 0.27 -0.92 0.00 0.00 175.35 175.53 1x0o n ASN 115 N -1.87 2.24 0.00 2.83 6.94 -1.26 -0.08 115.26 124.06 1x0o n ASN 115 Ca 0.04 -1.86 0.00 0.00 -0.02 0.00 0.00 54.58 52.74 1x0o n ASN 115 Cb 0.59 -0.09 0.00 0.00 -2.36 0.00 0.00 39.78 37.92 1x0o n ASN 115 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 1x0o n SER 116 N 0.01 0.00 -2.95 0.53 2.88 -1.26 -4.11 113.62 108.71 1x0o n SER 116 Ca 0.05 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.50 1x0o n SER 116 Cb 0.29 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.77 1x0o n SER 116 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x0o s SER 117 N -2.47 0.07 -0.52 -3.46 1.04 -1.26 -5.08 113.70 102.01 1x0o s SER 117 Ca 0.00 -1.17 0.05 0.00 0.48 0.00 0.00 55.95 55.31 1x0o s SER 117 Cb 0.00 0.84 0.19 0.00 0.10 0.00 0.00 66.02 67.15 1x0o s SER 117 CO 0.00 -1.67 0.45 1.67 0.98 0.00 0.00 173.24 174.67 1x0o n GLN 118 N -0.53 0.97 -0.46 4.02 -0.06 -1.26 -4.84 117.38 115.21 1x0o n GLN 118 Ca -0.08 -3.72 0.00 0.00 -2.00 0.00 0.00 57.00 51.20 1x0o n GLN 118 Cb 0.60 -1.86 0.00 0.00 -4.06 0.00 0.00 30.24 24.92 1x0o n GLN 118 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25