#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 0.39 0.00 4.61 0.00 -1.26 -4.94 121.76 120.56 1x0o s ALA 2 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 51.53 1x0o s ALA 2 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.11 1x0o s ALA 2 CO 0.00 0.02 0.00 0.00 0.00 0.00 0.00 175.76 175.78 1x0o n MET 3 N 2.27 0.00 -2.32 0.00 0.00 -1.26 -4.83 117.12 110.99 1x0o n MET 3 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 57.70 57.10 1x0o n MET 3 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.79 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 0.00 4.67 -4.31 3.17 9.92 -1.26 -4.93 116.55 123.81 1x0o n ASP 4 Ca 0.00 -2.94 -0.37 0.00 -0.53 0.00 0.00 54.79 50.95 1x0o n ASP 4 Cb 0.00 -1.64 -0.13 0.00 -0.64 0.00 0.00 41.12 38.71 1x0o n ASP 4 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 1x0o s ASN 5 N 3.01 5.09 0.01 -2.24 -0.87 -1.26 -5.07 114.94 113.62 1x0o s ASN 5 Ca 0.47 -0.83 -0.13 0.00 -1.57 0.00 0.00 52.86 50.80 1x0o s ASN 5 Cb 0.07 -1.86 0.02 0.00 -0.02 0.00 0.00 41.25 39.46 1x0o s ASN 5 CO -0.00 -0.22 0.28 0.54 -2.57 0.00 0.00 177.10 175.13 1x0o s VAL 6 N 1.46 0.07 -0.86 1.60 0.11 -1.26 -4.95 120.40 116.57 1x0o s VAL 6 Ca 0.01 -0.61 -0.03 0.00 -2.93 0.00 0.00 61.98 58.43 1x0o s VAL 6 Cb -0.18 -0.74 0.00 0.00 -1.53 0.00 0.00 36.38 33.94 1x0o s VAL 6 CO 0.02 -0.34 0.73 0.00 -3.33 0.00 0.00 175.10 172.18 1x0o s GLN 8 N -5.33 2.02 0.92 0.00 0.00 -1.26 -5.08 119.66 110.93 1x0o s GLN 8 Ca 0.17 -0.99 -0.11 0.00 -0.00 0.00 0.00 55.36 54.43 1x0o s GLN 8 Cb -0.07 -2.08 0.15 0.00 0.00 0.00 0.00 33.01 31.00 1x0o s GLN 8 CO 0.49 0.54 1.09 -2.14 0.00 0.00 0.00 175.29 175.28 1x0o s PRO 9 N -1.04 1.02 0.00 9.60 0.02 -1.26 -4.91 135.00 138.42 1x0o s PRO 9 Ca 0.12 1.04 0.10 0.00 0.02 0.00 0.00 61.00 62.28 1x0o s PRO 9 Cb -0.10 -1.76 0.62 0.00 0.02 0.00 0.00 34.50 33.28 1x0o s PRO 9 CO 0.02 -2.47 1.38 2.41 -0.33 0.00 0.00 177.00 178.01 1x0o n THR 10 N -4.07 0.00 -4.58 0.99 -1.04 -1.26 -4.55 114.28 99.77 1x0o n THR 10 Ca 0.08 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.75 1x0o n THR 10 Cb 0.54 -0.18 -0.12 0.00 -1.82 0.00 0.00 70.33 68.75 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 -2.00 3.18 -0.08 -2.82 2.02 -1.26 -3.16 118.70 114.58 1x0o s GLU 11 Ca 0.16 -0.56 0.03 0.00 0.02 0.00 0.00 54.97 54.61 1x0o s GLU 11 Cb 0.07 -2.71 -0.02 0.00 0.10 0.00 0.00 34.13 31.58 1x0o s GLU 11 CO 0.12 0.44 -0.17 -0.59 0.02 0.00 0.00 175.26 175.08 1x0o s PHE 12 N -0.20 2.66 -0.19 1.61 -0.71 -0.98 -4.82 117.98 115.34 1x0o s PHE 12 Ca 0.03 -0.53 -0.06 0.00 -1.04 0.00 0.00 56.93 55.32 1x0o s PHE 12 Cb -0.13 -1.70 -0.03 0.00 -1.21 0.00 0.00 43.02 39.95 1x0o s PHE 12 CO 0.03 -0.10 0.03 0.42 -1.34 0.00 0.00 175.22 174.26 1x0o s ILE 13 N -0.13 4.39 0.02 -4.49 1.09 -1.26 -1.80 121.20 119.01 1x0o s ILE 13 Ca -0.02 -0.17 -0.00 0.00 -1.10 0.00 0.00 60.65 59.36 1x0o s ILE 13 Cb -0.14 -2.98 -0.02 0.00 -1.06 0.00 0.00 42.46 38.27 1x0o s ILE 13 CO 0.04 0.44 -0.02 -0.44 -0.10 0.00 0.00 174.94 174.86 1x0o s SER 14 N 0.65 0.19 -0.23 3.58 0.01 -0.19 -2.53 113.70 115.18 1x0o s SER 14 Ca 0.01 -0.41 -0.07 0.00 1.31 0.00 0.00 55.95 56.79 1x0o s SER 14 Cb -0.14 0.08 -0.03 0.00 0.21 0.00 0.00 66.02 66.15 1x0o s SER 14 CO 0.02 -0.25 0.07 -0.13 0.41 0.00 0.00 173.24 173.36 1x0o s ARG 15 N -1.20 3.74 0.09 12.44 0.52 0.58 -0.06 118.95 135.06 1x0o s ARG 15 Ca -0.13 -0.44 0.05 0.00 -0.52 0.00 0.00 55.73 54.68 1x0o s ARG 15 Cb -0.08 -3.30 -0.03 0.00 0.52 0.00 0.00 34.95 32.06 1x0o s ARG 15 CO -0.01 -0.07 -0.13 -3.38 0.02 0.00 0.00 175.30 171.74 1x0o s HIS 16 N 1.30 1.18 0.56 -0.53 -3.43 -0.37 -1.75 115.29 112.25 1x0o s HIS 16 Ca 0.05 -0.54 -0.20 0.00 -0.80 0.00 0.00 55.06 53.57 1x0o s HIS 16 Cb -0.15 -0.65 -0.05 0.00 -1.43 0.00 0.00 32.58 30.31 1x0o s HIS 16 CO 0.04 0.05 1.22 1.21 -2.00 0.00 0.00 174.74 175.26 1x0o s ASN 17 N -2.10 5.41 0.65 7.38 3.84 0.13 -1.13 114.94 129.11 1x0o s ASN 17 Ca 0.02 2.42 0.29 0.00 0.21 0.00 0.00 52.86 55.80 1x0o s ASN 17 Cb -0.07 -2.60 1.54 0.00 -0.55 0.00 0.00 41.25 39.57 1x0o s ASN 17 CO 0.02 -1.45 1.88 0.16 -2.79 0.00 0.00 177.10 174.92 1x0o h ILE 18 N 1.17 0.09 -0.01 -5.21 3.07 -1.88 0.62 117.51 115.37 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 1.29 0.63 0.00 0.00 -0.27 0.00 0.00 36.82 38.47 1x0o h ILE 18 CO 0.56 0.00 -0.13 -0.62 -1.05 0.00 0.00 178.15 176.92 1x0o n GLU 19 N -3.08 0.94 0.00 0.16 -0.58 -1.26 -4.89 120.64 111.94 1x0o n GLU 19 Ca 0.01 -0.44 0.00 0.00 -0.42 0.00 0.00 57.16 56.30 1x0o n GLU 19 Cb 0.47 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.85 1x0o n GLU 19 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1x0o n GLY 20 N 1.26 1.10 3.66 0.62 0.00 0.22 -4.89 105.19 107.15 1x0o n GLY 20 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 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 5.08 -0.15 -0.61 -1.09 -1.05 -0.75 121.20 120.63 1x0o s ILE 21 Ca 0.00 1.00 -0.29 0.00 -2.23 0.00 0.00 60.65 59.13 1x0o s ILE 21 Cb 0.00 -3.86 -0.02 0.00 -1.58 0.00 0.00 42.46 37.00 1x0o s ILE 21 CO 0.00 0.16 1.29 -0.36 -1.23 0.00 0.00 174.94 174.79 1x0o s PHE 22 N 1.74 2.80 -0.10 3.97 0.08 -0.96 0.20 117.98 125.71 1x0o s PHE 22 Ca 0.25 0.96 0.09 0.00 0.12 0.00 0.00 56.93 58.34 1x0o s PHE 22 Cb -0.16 -3.53 -0.12 0.00 -0.57 0.00 0.00 43.02 38.64 1x0o s PHE 22 CO 0.10 -1.84 0.03 0.25 -0.10 0.00 0.00 175.22 173.66 1x0o n THR 23 N 5.34 0.69 -3.69 0.64 -2.24 -1.08 -2.24 114.28 111.69 1x0o n THR 23 Ca 0.14 -0.42 -0.21 0.00 -2.27 0.00 0.00 64.05 61.29 1x0o n THR 23 Cb 0.45 -0.74 -0.18 0.00 -2.10 0.00 0.00 70.33 67.76 1x0o n THR 23 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1x0o s PHE 24 N -2.24 0.19 -0.04 4.78 5.36 -0.72 -4.98 117.98 120.33 1x0o s PHE 24 Ca -0.05 0.16 0.04 0.00 -0.96 0.00 0.00 56.93 56.12 1x0o s PHE 24 Cb 0.03 -0.55 -0.00 0.00 -0.34 0.00 0.00 43.02 42.16 1x0o s PHE 24 CO 0.41 -0.22 -0.15 0.08 -1.46 0.00 0.00 175.22 173.87 1x0o s VAL 25 N 2.13 1.27 0.28 3.12 1.01 -1.26 -0.31 120.40 126.64 1x0o s VAL 25 Ca 0.05 -0.64 -0.11 0.00 0.00 0.00 0.00 61.98 61.29 1x0o s VAL 25 Cb -0.12 -1.10 -0.07 0.00 0.00 0.00 0.00 36.38 35.09 1x0o s VAL 25 CO -0.04 0.37 0.62 -0.62 0.00 0.00 0.00 175.10 175.44 1x0o s ASP 26 N 0.02 6.64 0.35 3.32 2.15 -1.05 -4.77 116.67 123.33 1x0o s ASP 26 Ca -0.02 1.01 0.17 0.00 0.43 0.00 0.00 52.55 54.14 1x0o s ASP 26 Cb -0.10 -2.26 0.93 0.00 -0.30 0.00 0.00 42.92 41.19 1x0o s ASP 26 CO 0.01 -0.15 1.46 0.45 -0.17 0.00 0.00 175.17 176.77 1x0o h HIS 27 N 2.25 0.00 0.00 -5.34 3.86 -1.98 -0.65 115.15 113.29 1x0o h HIS 27 Ca -0.47 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.74 1x0o h HIS 27 Cb 1.17 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.64 1x0o h HIS 27 CO 0.61 0.00 0.00 0.54 0.86 0.00 0.00 177.93 179.94 1x0o n ARG 28 N -2.18 0.07 -0.35 2.45 1.74 -1.26 -2.69 116.66 114.44 1x0o n ARG 28 Ca -0.01 0.51 0.14 0.00 -0.77 0.00 0.00 57.85 57.72 1x0o n ARG 28 Cb 0.23 -1.69 0.33 0.00 -1.02 0.00 0.00 32.46 30.31 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 0.72 1.26 0.10 0.00 -1.51 -1.18 0.97 116.25 116.62 1x0o h VAL 30 Ca 0.59 -1.25 -0.00 0.00 -1.23 0.00 0.00 66.70 64.81 1x0o h VAL 30 Cb 0.97 1.35 0.00 0.00 -2.13 0.00 0.00 31.29 31.48 1x0o h VAL 30 CO -0.40 0.40 -0.05 0.00 -1.23 0.00 0.00 177.57 176.28 1x0o h ALA 31 N 1.33 -0.13 0.21 5.19 0.00 -1.49 -1.18 119.26 123.19 1x0o h ALA 31 Ca 0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1x0o h ALA 31 Cb 0.66 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1x0o h ALA 31 CO 0.05 -0.33 -0.10 1.15 0.00 0.00 0.00 179.25 180.02 1x0o h THR 32 N -0.62 0.84 0.00 0.00 2.02 -1.42 -3.40 112.91 110.32 1x0o h THR 32 Ca -0.01 -0.83 0.00 0.00 0.77 0.00 0.00 66.41 66.33 1x0o h THR 32 Cb 0.50 1.29 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1x0o h THR 32 CO 0.02 0.17 0.00 1.33 0.37 0.00 0.00 175.52 177.41 1x0o n VAL 33 N -5.02 0.79 0.00 3.16 0.24 0.30 -4.92 118.33 112.87 1x0o n VAL 33 Ca -0.09 -0.80 0.00 0.00 -2.04 0.00 0.00 64.34 61.41 1x0o n VAL 33 Cb 0.26 0.61 0.00 0.00 -1.47 0.00 0.00 33.84 33.24 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 -0.40 2.10 3.78 7.63 0.00 -0.44 -1.06 105.19 116.79 1x0o n GLY 34 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 2.87 0.37 1.61 2.02 -1.25 -4.53 117.35 118.45 1x0o s TYR 35 Ca 0.00 1.56 -0.24 0.00 -0.37 0.00 0.00 57.07 58.02 1x0o s TYR 35 Cb 0.00 -3.29 -0.10 0.00 -0.40 0.00 0.00 41.96 38.16 1x0o s TYR 35 CO 0.00 -1.35 0.95 -0.65 -1.57 0.00 0.00 175.55 172.93 1x0o s GLN 36 N -2.90 4.41 0.26 -0.62 -1.52 -1.26 -1.97 119.66 116.06 1x0o s GLN 36 Ca 0.66 1.24 -0.04 0.00 -1.95 0.00 0.00 55.36 55.28 1x0o s GLN 36 Cb -0.25 -2.51 0.53 0.00 -0.22 0.00 0.00 33.01 30.56 1x0o s GLN 36 CO 0.30 0.12 1.65 -1.35 -0.25 0.00 0.00 175.29 175.76 1x0o h PRO 37 N 2.58 0.16 -0.26 2.91 0.11 -1.86 -0.61 132.00 135.03 1x0o h PRO 37 Ca -0.48 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.67 1x0o h PRO 37 Cb 1.19 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.21 1x0o h PRO 37 CO 0.63 0.10 -0.05 1.96 -0.21 0.00 0.00 178.00 180.43 1x0o h GLN 38 N 0.16 0.01 0.00 1.05 1.08 -1.90 -0.65 115.11 114.87 1x0o h GLN 38 Ca 0.46 -0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.64 1x0o h GLN 38 Cb 0.85 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.28 1x0o h GLN 38 CO -0.64 0.01 -0.10 0.93 -0.95 0.00 0.00 178.83 178.08 1x0o h GLU 39 N 0.02 0.00 0.00 1.46 5.08 -1.51 -1.66 114.58 117.97 1x0o h GLU 39 Ca 0.13 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.27 1x0o h GLU 39 Cb 0.19 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 1x0o h GLU 39 CO -0.26 0.10 -1.18 1.25 -1.00 0.00 0.00 179.01 177.92 1x0o h LEU 40 N 0.00 0.00 -8.82 1.33 5.85 -0.84 -3.43 115.31 109.40 1x0o h LEU 40 Ca -0.00 0.00 -0.55 0.00 0.84 0.00 0.00 57.88 58.17 1x0o h LEU 40 Cb 0.19 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1x0o h LEU 40 CO 0.01 0.89 1.47 -0.76 -0.34 0.00 0.00 178.44 179.72 1x0o s LEU 41 N -6.41 3.43 0.00 2.25 1.43 -0.33 -1.15 118.68 117.90 1x0o s LEU 41 Ca -0.01 1.43 0.00 0.00 -1.03 0.00 0.00 54.13 54.52 1x0o s LEU 41 Cb 0.09 -3.18 0.00 0.00 0.03 0.00 0.00 46.19 43.13 1x0o s LEU 41 CO 0.81 -2.18 0.00 0.61 0.23 0.00 0.00 176.35 175.82 1x0o n GLY 42 N 5.75 1.66 3.93 -3.19 0.00 -0.95 -4.99 105.19 107.40 1x0o n GLY 42 Ca 0.29 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.10 3.46 0.15 1.61 -0.14 -0.30 -4.92 119.74 119.50 1x0o s LYS 43 Ca 0.00 -0.48 -0.21 0.00 -1.36 0.00 0.00 55.97 53.92 1x0o s LYS 43 Cb 0.00 -2.97 -0.08 0.00 -1.68 0.00 0.00 37.83 33.10 1x0o s LYS 43 CO 0.00 0.54 0.67 1.21 -0.76 0.00 0.00 175.35 177.01 1x0o s ASN 44 N -2.90 7.14 0.24 2.83 3.84 -1.26 -2.27 114.94 122.57 1x0o s ASN 44 Ca 0.36 1.41 -0.04 0.00 0.21 0.00 0.00 52.86 54.79 1x0o s ASN 44 Cb -0.12 -2.41 0.38 0.00 -0.55 0.00 0.00 41.25 38.55 1x0o s ASN 44 CO 0.28 0.17 1.83 -0.29 -2.79 0.00 0.00 177.10 176.30 1x0o h ILE 45 N 3.18 0.96 0.00 -5.21 2.10 -1.28 -2.07 117.51 115.20 1x0o h ILE 45 Ca -0.48 -0.30 -0.02 0.00 1.08 0.00 0.00 64.86 65.14 1x0o h ILE 45 Cb 1.20 0.02 -0.00 0.00 -1.09 0.00 0.00 36.82 36.95 1x0o h ILE 45 CO 0.65 0.16 -0.08 0.58 -1.08 0.00 0.00 178.15 178.38 1x0o h VAL 46 N 0.87 0.56 0.00 2.19 2.07 -1.91 -0.53 116.25 119.51 1x0o h VAL 46 Ca 0.39 -0.34 -0.09 0.00 0.82 0.00 0.00 66.70 67.48 1x0o h VAL 46 Cb 0.29 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1x0o h VAL 46 CO -0.22 0.08 -0.41 -0.33 0.02 0.00 0.00 177.57 176.71 1x0o h GLU 47 N 0.00 0.00 -0.67 1.57 4.39 -1.77 -1.36 114.58 116.75 1x0o h GLU 47 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1x0o h GLU 47 Cb 0.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1x0o h GLU 47 CO 0.01 0.41 0.00 1.19 -1.16 0.00 0.00 179.01 179.46 1x0o n PHE 48 N -3.99 1.30 -3.79 4.33 3.72 -0.26 -4.82 117.46 113.95 1x0o n PHE 48 Ca -0.02 -0.58 -0.36 0.00 -0.05 0.00 0.00 57.45 56.44 1x0o n PHE 48 Cb 0.45 -0.16 -0.12 0.00 -0.94 0.00 0.00 39.48 38.70 1x0o n PHE 48 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1x0o s HIS 50 N 1.51 2.07 0.18 0.00 -3.43 -1.20 -4.68 115.29 109.73 1x0o s HIS 50 Ca 0.06 1.58 -0.22 0.00 -0.80 0.00 0.00 55.06 55.68 1x0o s HIS 50 Cb -0.15 -3.51 0.09 0.00 -1.43 0.00 0.00 32.58 27.59 1x0o s HIS 50 CO 0.04 -2.64 1.59 -1.35 -2.00 0.00 0.00 174.74 170.38 1x0o h PRO 51 N -0.10 -0.19 0.00 -0.38 0.11 -1.95 -1.05 132.00 128.43 1x0o h PRO 51 Ca -0.48 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1x0o h PRO 51 Cb 1.30 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.46 1x0o h PRO 51 CO 0.50 -0.13 0.00 -0.85 -0.21 0.00 0.00 178.00 177.32 1x0o n GLU 52 N -5.42 0.48 0.00 1.05 0.00 -1.26 -2.46 120.64 113.02 1x0o n GLU 52 Ca 0.03 0.01 0.10 0.00 0.00 0.00 0.00 57.16 57.30 1x0o n GLU 52 Cb 0.34 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.25 1x0o n GLU 52 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1x0o n ASP 53 N -1.25 1.60 0.00 -1.84 8.00 -0.41 -4.37 116.55 118.29 1x0o n ASP 53 Ca 0.15 -1.30 -0.02 0.00 0.71 0.00 0.00 54.79 54.32 1x0o n ASP 53 Cb 0.21 0.62 0.24 0.00 -0.02 0.00 0.00 41.12 42.17 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 1.59 0.51 -0.59 -1.24 4.20 -1.38 -2.71 115.11 115.49 1x0o h GLN 54 Ca 0.00 -0.16 -0.10 0.00 0.06 0.00 0.00 58.65 58.45 1x0o h GLN 54 Cb 0.61 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 1x0o h GLN 54 CO 0.00 0.65 -0.04 0.37 -0.67 0.00 0.00 178.83 179.14 1x0o h GLN 55 N 0.47 1.07 -0.09 1.46 5.75 -1.77 0.11 115.11 122.11 1x0o h GLN 55 Ca 0.08 -0.36 0.02 0.00 -0.15 0.00 0.00 58.65 58.25 1x0o h GLN 55 Cb 0.53 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.97 1x0o h GLN 55 CO 0.03 1.06 -0.06 -0.07 -2.65 0.00 0.00 178.83 177.14 1x0o h LEU 56 N 0.96 -0.20 -0.94 -2.39 3.38 -1.76 -0.92 115.31 113.44 1x0o h LEU 56 Ca 0.16 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 1x0o h LEU 56 Cb 0.61 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 1x0o h LEU 56 CO 0.04 -0.09 0.31 -0.07 0.09 0.00 0.00 178.44 178.71 1x0o h LEU 57 N -0.07 0.98 0.65 1.67 3.38 -1.22 0.02 115.31 120.72 1x0o h LEU 57 Ca 0.06 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1x0o h LEU 57 Cb 0.16 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1x0o h LEU 57 CO -0.13 0.86 -0.45 0.03 0.09 0.00 0.00 178.44 178.84 1x0o h ARG 58 N 1.05 -1.01 -0.63 1.13 3.08 -0.37 -0.28 114.38 117.35 1x0o h ARG 58 Ca 0.25 0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.36 1x0o h ARG 58 Cb 0.18 0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.43 1x0o h ARG 58 CO -0.02 -0.67 0.35 0.22 -1.07 0.00 0.00 179.97 178.77 1x0o h ASP 59 N -1.05 0.78 -0.28 7.04 1.82 -1.03 -1.47 116.42 122.23 1x0o h ASP 59 Ca -0.08 -0.09 -0.15 0.00 -0.39 0.00 0.00 57.03 56.33 1x0o h ASP 59 Cb 0.86 -0.20 -0.00 0.00 0.68 0.00 0.00 39.33 40.67 1x0o h ASP 59 CO 0.05 0.64 -0.39 0.77 -1.61 0.00 0.00 179.24 178.70 1x0o h SER 60 N 0.85 0.83 -0.42 2.28 4.64 -0.96 0.14 113.55 120.91 1x0o h SER 60 Ca 0.22 -0.50 -0.02 0.00 -0.47 0.00 0.00 61.79 61.02 1x0o h SER 60 Cb 0.03 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 61.86 1x0o h SER 60 CO -0.04 1.17 0.20 -0.26 -0.87 0.00 0.00 176.83 177.04 1x0o h PHE 61 N 0.51 0.65 -0.56 4.77 0.04 -0.96 -0.66 116.94 120.74 1x0o h PHE 61 Ca 0.03 -0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.70 1x0o h PHE 61 Cb 0.98 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.90 1x0o h PHE 61 CO 0.08 0.50 0.03 1.96 -0.60 0.00 0.00 178.31 180.27 1x0o h GLN 62 N 0.66 0.93 -0.18 1.51 1.08 -0.63 -2.51 115.11 115.98 1x0o h GLN 62 Ca 0.16 -0.26 0.02 0.00 -1.45 0.00 0.00 58.65 57.12 1x0o h GLN 62 Cb 0.11 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.41 1x0o h GLN 62 CO -0.02 0.91 0.06 1.96 -0.95 0.00 0.00 178.83 180.79 1x0o h GLN 63 N 0.87 0.14 0.00 1.46 1.08 0.69 -1.52 115.11 117.82 1x0o h GLN 63 Ca 0.17 -0.01 -0.05 0.00 -1.45 0.00 0.00 58.65 57.31 1x0o h GLN 63 Cb 0.47 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.86 1x0o h GLN 63 CO 0.02 0.09 -0.24 -0.24 -0.95 0.00 0.00 178.83 177.51 1x0o h VAL 64 N 0.14 0.71 -0.19 -0.54 3.04 -1.14 0.21 116.25 118.48 1x0o h VAL 64 Ca 0.08 -1.06 -0.14 0.00 -1.01 0.00 0.00 66.70 64.57 1x0o h VAL 64 Cb 0.05 1.67 0.00 0.00 -2.01 0.00 0.00 31.29 31.00 1x0o h VAL 64 CO -0.09 0.24 -0.42 0.58 -1.01 0.00 0.00 177.57 176.87 1x0o h VAL 65 N 0.00 1.33 0.00 1.51 2.07 -0.98 -0.11 116.25 120.07 1x0o h VAL 65 Ca -0.00 -1.66 0.00 0.00 0.82 0.00 0.00 66.70 65.86 1x0o h VAL 65 Cb 0.65 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 32.32 1x0o h VAL 65 CO 0.03 0.51 0.00 0.07 0.02 0.00 0.00 177.57 178.21 1x0o h LYS 66 N 0.30 0.00 0.22 1.57 2.10 -0.96 -3.27 116.57 116.52 1x0o h LYS 66 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 1x0o h LYS 66 Cb 1.03 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.36 1x0o h LYS 66 CO 0.09 0.00 -0.11 -0.07 -2.00 0.00 0.00 179.45 177.37 1x0o h LEU 67 N 0.00 -0.25 -2.15 7.07 3.38 -0.45 -3.50 115.31 119.40 1x0o h LEU 67 Ca 0.00 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.77 1x0o h LEU 67 Cb 0.83 0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.56 1x0o h LEU 67 CO 0.00 0.27 -1.26 0.29 0.09 0.00 0.00 178.44 177.83 1x0o n LYS 68 N -4.97 -3.82 0.00 1.13 5.02 -0.07 -4.58 118.16 110.87 1x0o n LYS 68 Ca -0.07 2.97 0.00 0.00 -2.02 0.00 0.00 58.31 59.20 1x0o n LYS 68 Cb 0.22 -4.79 0.00 0.00 -0.02 0.00 0.00 35.03 30.45 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 1.22 0.21 3.76 0.72 0.00 -1.24 -5.00 105.19 104.86 1x0o n GLY 69 Ca -0.25 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.98 3.39 -0.11 1.61 -1.52 -1.26 -4.95 119.66 115.85 1x0o s GLN 70 Ca 0.00 -0.27 -0.30 0.00 -1.95 0.00 0.00 55.36 52.85 1x0o s GLN 70 Cb 0.00 -3.06 -0.02 0.00 -0.22 0.00 0.00 33.01 29.71 1x0o s GLN 70 CO 0.00 0.65 1.13 0.08 -0.25 0.00 0.00 175.29 176.91 1x0o s VAL 71 N -0.70 4.47 -0.20 1.09 1.01 -1.26 -4.49 120.40 120.32 1x0o s VAL 71 Ca 0.12 1.77 -0.02 0.00 0.00 0.00 0.00 61.98 63.85 1x0o s VAL 71 Cb -0.12 -4.14 -0.00 0.00 0.00 0.00 0.00 36.38 32.12 1x0o s VAL 71 CO 0.03 -0.04 -0.08 -0.22 0.00 0.00 0.00 175.10 174.78 1x0o s LEU 72 N 2.48 2.72 -0.27 3.92 1.98 -0.72 -4.88 118.68 123.91 1x0o s LEU 72 Ca 0.52 -0.43 -0.11 0.00 -2.89 0.00 0.00 54.13 51.22 1x0o s LEU 72 Cb -0.21 -1.67 -0.05 0.00 0.66 0.00 0.00 46.19 44.92 1x0o s LEU 72 CO 0.18 0.01 0.18 -0.44 -1.89 0.00 0.00 176.35 174.38 1x0o s SER 73 N 1.31 6.05 -0.02 3.68 0.01 -1.26 -0.13 113.70 123.34 1x0o s SER 73 Ca 0.04 0.03 0.02 0.00 1.31 0.00 0.00 55.95 57.35 1x0o s SER 73 Cb -0.14 -2.12 0.00 0.00 0.21 0.00 0.00 66.02 63.98 1x0o s SER 73 CO -0.04 -0.01 -0.07 0.54 0.41 0.00 0.00 173.24 174.07 1x0o s VAL 74 N 1.53 0.58 -0.10 3.43 0.11 -0.48 -4.98 120.40 120.49 1x0o s VAL 74 Ca 0.07 -0.26 0.01 0.00 -2.93 0.00 0.00 61.98 58.87 1x0o s VAL 74 Cb -0.15 -0.52 -0.02 0.00 -1.53 0.00 0.00 36.38 34.16 1x0o s VAL 74 CO 0.09 0.19 -0.12 -0.32 -3.33 0.00 0.00 175.10 171.61 1x0o s MET 75 N 0.17 3.09 0.38 1.54 1.75 -1.26 -0.13 119.30 124.85 1x0o s MET 75 Ca -0.02 -0.65 -0.10 0.00 -1.25 0.00 0.00 55.69 53.67 1x0o s MET 75 Cb -0.07 -2.59 0.04 0.00 2.84 0.00 0.00 34.83 35.06 1x0o s MET 75 CO -0.00 0.39 0.69 -0.59 -0.65 0.00 0.00 175.02 174.86 1x0o s PHE 76 N -0.10 0.51 -0.19 4.11 -0.71 -0.44 -4.98 117.98 116.18 1x0o s PHE 76 Ca -0.01 -1.04 -0.03 0.00 -1.04 0.00 0.00 56.93 54.82 1x0o s PHE 76 Cb -0.14 0.51 -0.01 0.00 -1.21 0.00 0.00 43.02 42.17 1x0o s PHE 76 CO 0.03 -1.45 -0.07 1.03 -1.34 0.00 0.00 175.22 173.42 1x0o s ARG 77 N -2.41 3.37 0.09 1.99 0.52 -1.26 -0.81 118.95 120.44 1x0o s ARG 77 Ca 0.21 -0.64 0.01 0.00 -0.52 0.00 0.00 55.73 54.79 1x0o s ARG 77 Cb -0.03 -2.89 -0.04 0.00 0.52 0.00 0.00 34.95 32.51 1x0o s ARG 77 CO 0.16 -0.08 0.22 0.12 0.02 0.00 0.00 175.30 175.74 1x0o s PHE 78 N 1.14 3.48 -0.34 -0.53 2.19 0.67 -3.21 117.98 121.40 1x0o s PHE 78 Ca 0.01 0.20 -0.21 0.00 0.33 0.00 0.00 56.93 57.27 1x0o s PHE 78 Cb -0.14 -1.72 -0.00 0.00 -1.31 0.00 0.00 43.02 39.84 1x0o s PHE 78 CO -0.02 0.56 0.65 0.50 1.83 0.00 0.00 175.22 178.75 1x0o s ARG 79 N -2.71 3.76 1.13 10.12 3.52 0.58 -1.08 118.95 134.27 1x0o s ARG 79 Ca 0.34 0.16 -0.19 0.00 -0.13 0.00 0.00 55.73 55.92 1x0o s ARG 79 Cb -0.12 -3.78 0.27 0.00 -1.56 0.00 0.00 34.95 29.75 1x0o s ARG 79 CO 0.28 -0.69 1.21 0.45 -0.81 0.00 0.00 175.30 175.74 1x0o s SER 80 N 1.74 1.57 0.04 -2.12 0.15 0.59 -4.87 113.70 110.80 1x0o s SER 80 Ca 0.25 0.37 0.14 0.00 0.70 0.00 0.00 55.95 57.42 1x0o s SER 80 Cb -0.14 -0.45 0.60 0.00 -1.71 0.00 0.00 66.02 64.32 1x0o s SER 80 CO 0.14 -3.70 1.44 1.17 1.20 0.00 0.00 173.24 173.49 1x0o n LYS 81 N -4.43 0.03 -0.24 5.44 3.00 -0.23 -1.34 118.16 120.39 1x0o n LYS 81 Ca 0.16 0.32 0.12 0.00 -0.00 0.00 0.00 58.31 58.90 1x0o n LYS 81 Cb 0.60 -1.56 0.26 0.00 0.00 0.00 0.00 35.03 34.32 1x0o n LYS 81 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1x0o n ASN 82 N -1.62 3.51 -1.34 3.14 3.02 -1.26 -4.91 115.26 115.79 1x0o n ASN 82 Ca 0.03 -1.99 -0.16 0.00 -0.03 0.00 0.00 54.58 52.43 1x0o n ASN 82 Cb 0.15 -0.32 -0.06 0.00 -0.61 0.00 0.00 39.78 38.94 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 1.48 -1.15 -3.22 3.52 3.00 -0.45 -5.00 117.38 115.56 1x0o n GLN 83 Ca 0.21 1.02 -0.26 0.00 -0.01 0.00 0.00 57.00 57.96 1x0o n GLN 83 Cb 0.59 -5.24 -0.02 0.00 0.00 0.00 0.00 30.24 25.57 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 -3.61 3.55 -0.32 -1.09 -1.05 -1.26 -4.83 118.70 110.08 1x0o s GLU 84 Ca 0.00 -0.11 -0.01 0.00 -0.15 0.00 0.00 54.97 54.69 1x0o s GLU 84 Cb 0.00 -2.60 0.07 0.00 -0.44 0.00 0.00 34.13 31.15 1x0o s GLU 84 CO 0.00 0.10 0.04 -1.58 0.95 0.00 0.00 175.26 174.77 1x0o s TRP 85 N -2.32 3.36 0.18 4.83 0.52 -1.25 -0.30 118.94 123.97 1x0o s TRP 85 Ca 0.43 -2.07 0.07 0.00 0.02 0.00 0.00 56.10 54.54 1x0o s TRP 85 Cb -0.10 -2.38 -0.04 0.00 -1.15 0.00 0.00 33.47 29.80 1x0o s TRP 85 CO 0.36 -0.85 0.05 -0.48 0.02 0.00 0.00 176.95 176.05 1x0o s LEU 86 N 1.20 3.48 -0.10 2.99 0.05 -0.24 -1.78 118.68 124.28 1x0o s LEU 86 Ca -0.02 -0.33 -0.25 0.00 0.05 0.00 0.00 54.13 53.58 1x0o s LEU 86 Cb -0.20 -2.10 -0.02 0.00 -2.05 0.00 0.00 46.19 41.81 1x0o s LEU 86 CO -0.02 0.07 0.81 0.26 -0.55 0.00 0.00 176.35 176.92 1x0o s TRP 87 N -1.80 3.52 0.00 3.48 0.52 0.11 -0.24 118.94 124.53 1x0o s TRP 87 Ca 0.29 1.33 -0.08 0.00 0.02 0.00 0.00 56.10 57.66 1x0o s TRP 87 Cb -0.09 -2.96 0.00 0.00 -1.15 0.00 0.00 33.47 29.27 1x0o s TRP 87 CO 0.20 -0.08 0.16 0.00 0.02 0.00 0.00 176.95 177.25 1x0o s MET 88 N 1.47 0.52 -0.22 4.98 0.23 0.01 -1.52 119.30 124.77 1x0o s MET 88 Ca 0.40 -0.41 -0.07 0.00 -1.03 0.00 0.00 55.69 54.59 1x0o s MET 88 Cb -0.18 0.22 -0.03 0.00 -1.53 0.00 0.00 34.83 33.31 1x0o s MET 88 CO 0.17 -0.13 0.05 0.50 -2.03 0.00 0.00 175.02 173.59 1x0o s ARG 89 N -1.50 3.73 -0.20 3.16 3.52 -0.52 -1.32 118.95 125.82 1x0o s ARG 89 Ca -0.14 -0.45 -0.16 0.00 -0.13 0.00 0.00 55.73 54.85 1x0o s ARG 89 Cb -0.07 -3.25 -0.04 0.00 -1.56 0.00 0.00 34.95 30.04 1x0o s ARG 89 CO 0.01 -0.03 0.40 0.99 -0.81 0.00 0.00 175.30 175.87 1x0o s THR 90 N 1.17 5.20 -0.39 4.11 2.01 0.82 -0.45 115.64 128.10 1x0o s THR 90 Ca 0.04 0.72 -0.17 0.00 0.31 0.00 0.00 61.69 62.59 1x0o s THR 90 Cb -0.14 -3.73 0.01 0.00 0.01 0.00 0.00 72.50 68.64 1x0o s THR 90 CO 0.03 0.25 0.44 -0.44 -0.69 0.00 0.00 174.62 174.21 1x0o s SER 91 N 1.03 6.22 0.27 3.53 0.01 0.97 -1.38 113.70 124.35 1x0o s SER 91 Ca 0.19 -0.43 -0.02 0.00 1.31 0.00 0.00 55.95 57.01 1x0o s SER 91 Cb -0.15 -2.23 -0.04 0.00 0.21 0.00 0.00 66.02 63.81 1x0o s SER 91 CO 0.08 -0.51 0.49 -0.55 0.41 0.00 0.00 173.24 173.16 1x0o s SER 92 N 1.79 6.38 -0.22 2.44 0.15 0.82 -2.58 113.70 122.48 1x0o s SER 92 Ca 0.14 0.51 -0.16 0.00 0.70 0.00 0.00 55.95 57.14 1x0o s SER 92 Cb -0.16 -2.06 0.06 0.00 -1.71 0.00 0.00 66.02 62.15 1x0o s SER 92 CO 0.13 -0.16 0.56 0.12 1.20 0.00 0.00 173.24 175.10 1x0o s PHE 93 N -2.06 -0.76 -0.40 3.44 2.19 -1.12 -1.75 117.98 117.52 1x0o s PHE 93 Ca 0.41 1.65 -0.11 0.00 0.33 0.00 0.00 56.93 59.20 1x0o s PHE 93 Cb -0.10 0.36 0.04 0.00 -1.31 0.00 0.00 43.02 42.01 1x0o s PHE 93 CO 0.31 -0.38 0.24 0.95 1.83 0.00 0.00 175.22 178.17 1x0o s THR 94 N 1.02 4.61 -0.42 0.12 -4.23 -1.26 0.20 115.64 115.68 1x0o s THR 94 Ca -0.06 -0.99 -0.29 0.00 -1.18 0.00 0.00 61.69 59.17 1x0o s THR 94 Cb -0.06 -3.65 0.01 0.00 1.34 0.00 0.00 72.50 70.15 1x0o s THR 94 CO -0.09 -0.34 1.33 0.12 -0.54 0.00 0.00 174.62 175.09 1x0o s PHE 95 N 1.54 2.54 -0.18 3.99 2.19 -0.58 -3.66 117.98 123.82 1x0o s PHE 95 Ca 0.02 0.70 -0.17 0.00 0.33 0.00 0.00 56.93 57.82 1x0o s PHE 95 Cb -0.21 -4.31 -0.04 0.00 -1.31 0.00 0.00 43.02 37.16 1x0o s PHE 95 CO 0.06 -1.75 0.44 -0.65 1.83 0.00 0.00 175.22 175.14 1x0o s GLN 96 N 4.74 4.22 -0.06 10.12 -0.21 -1.26 -1.52 119.66 135.69 1x0o s GLN 96 Ca 0.57 0.30 -0.29 0.00 0.02 0.00 0.00 55.36 55.95 1x0o s GLN 96 Cb -0.12 -3.51 -0.07 0.00 1.00 0.00 0.00 33.01 30.31 1x0o s GLN 96 CO 0.31 0.00 1.89 1.21 -2.12 0.00 0.00 175.29 176.59 1x0o s ASN 97 N 0.93 6.33 0.25 5.90 3.84 0.27 -4.85 114.94 127.62 1x0o s ASN 97 Ca 0.22 2.32 0.17 0.00 0.21 0.00 0.00 52.86 55.77 1x0o s ASN 97 Cb -0.15 -2.53 0.91 0.00 -0.55 0.00 0.00 41.25 38.93 1x0o s ASN 97 CO 0.09 -1.20 1.51 -0.81 -2.79 0.00 0.00 177.10 173.90 1x0o n PRO 98 N 7.66 0.11 -0.18 0.43 -0.04 -1.26 0.72 135.00 142.44 1x0o n PRO 98 Ca 0.21 0.61 0.07 0.00 -0.04 0.00 0.00 63.50 64.34 1x0o n PRO 98 Cb 0.43 -1.86 0.17 0.00 -0.04 0.00 0.00 33.50 32.19 1x0o n PRO 98 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1x0o n TYR 99 N -2.09 0.47 0.00 0.54 4.02 -1.26 -4.61 117.16 114.23 1x0o n TYR 99 Ca -0.01 -0.42 0.00 0.00 -0.01 0.00 0.00 57.90 57.46 1x0o n TYR 99 Cb 0.03 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.34 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 0.74 0.00 -0.56 7.72 7.64 -0.06 -5.02 113.62 124.08 1x0o n SER 100 Ca 0.13 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.94 1x0o n SER 100 Cb 0.44 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.61 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 -0.07 -5.13 -4.95 6.43 2.03 0.22 -4.96 116.55 110.13 1x0o n ASP 101 Ca 0.00 0.18 -0.24 0.00 0.52 0.00 0.00 54.79 55.25 1x0o n ASP 101 Cb 0.00 -3.28 -0.02 0.00 -0.72 0.00 0.00 41.12 37.10 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 -2.37 3.46 -0.36 -0.67 -1.05 -1.26 -4.80 118.70 111.65 1x0o s GLU 102 Ca 0.00 -0.61 -0.17 0.00 -0.15 0.00 0.00 54.97 54.05 1x0o s GLU 102 Cb 0.00 -2.89 -0.00 0.00 -0.44 0.00 0.00 34.13 30.80 1x0o s GLU 102 CO 0.00 0.43 0.42 0.42 0.95 0.00 0.00 175.26 177.48 1x0o s ILE 103 N -1.92 5.10 0.07 1.83 1.01 -1.26 -0.56 121.20 125.47 1x0o s ILE 103 Ca 0.35 0.05 -0.14 0.00 0.00 0.00 0.00 60.65 60.92 1x0o s ILE 103 Cb -0.10 -3.91 -0.25 0.00 0.01 0.00 0.00 42.46 38.21 1x0o s ILE 103 CO 0.30 -0.20 1.17 1.05 0.00 0.00 0.00 174.94 177.25 1x0o h GLU 104 N 8.52 0.67 -2.39 2.79 4.11 -1.66 -3.49 114.58 123.14 1x0o h GLU 104 Ca -0.28 -0.78 0.16 0.00 0.07 0.00 0.00 59.36 58.52 1x0o h GLU 104 Cb 1.13 0.23 -0.09 0.00 0.50 0.00 0.00 28.75 30.52 1x0o h GLU 104 CO 0.74 1.34 0.46 1.52 0.07 0.00 0.00 179.01 183.14 1x0o s TYR 105 N -3.21 -0.18 0.00 2.06 -0.85 -1.26 -4.84 117.35 109.08 1x0o s TYR 105 Ca -0.09 -0.11 -0.04 0.00 -0.52 0.00 0.00 57.07 56.30 1x0o s TYR 105 Cb 0.07 0.63 -0.04 0.00 0.38 0.00 0.00 41.96 42.99 1x0o s TYR 105 CO 0.92 -0.81 0.22 0.42 -1.52 0.00 0.00 175.55 174.78 1x0o s ILE 106 N -3.32 5.38 -0.26 -3.49 1.01 -0.28 -1.53 121.20 118.71 1x0o s ILE 106 Ca 0.11 -0.02 -0.11 0.00 0.00 0.00 0.00 60.65 60.63 1x0o s ILE 106 Cb -0.02 -3.55 -0.05 0.00 0.01 0.00 0.00 42.46 38.85 1x0o s ILE 106 CO 0.00 0.33 0.17 -0.63 0.00 0.00 0.00 174.94 174.82 1x0o s ILE 107 N -1.33 5.31 -0.45 2.92 1.01 0.13 -1.24 121.20 127.55 1x0o s ILE 107 Ca 0.28 0.17 -0.05 0.00 0.00 0.00 0.00 60.65 61.04 1x0o s ILE 107 Cb -0.13 -3.50 0.12 0.00 0.01 0.00 0.00 42.46 38.96 1x0o s ILE 107 CO 0.18 0.31 0.28 0.00 0.00 0.00 0.00 174.94 175.71 1x0o s THR 109 N 1.12 4.80 -0.22 0.00 2.01 -1.06 -1.03 115.64 121.26 1x0o s THR 109 Ca 0.08 -0.01 0.01 0.00 0.31 0.00 0.00 61.69 62.08 1x0o s THR 109 Cb -0.24 -3.24 0.03 0.00 0.01 0.00 0.00 72.50 69.06 1x0o s THR 109 CO -0.03 0.34 -0.14 0.20 -0.69 0.00 0.00 174.62 174.30 1x0o s ASN 110 N 1.36 3.83 -0.28 3.53 -0.87 -0.75 -0.02 114.94 121.75 1x0o s ASN 110 Ca 0.06 -0.91 -0.16 0.00 -1.57 0.00 0.00 52.86 50.28 1x0o s ASN 110 Cb -0.15 -1.55 -0.03 0.00 -0.02 0.00 0.00 41.25 39.50 1x0o s ASN 110 CO 0.05 -0.09 0.41 -0.89 -2.57 0.00 0.00 177.10 174.02 1x0o s THR 111 N 1.25 5.14 -0.46 1.60 2.01 0.40 -2.32 115.64 123.26 1x0o s THR 111 Ca -0.00 0.60 -0.29 0.00 0.31 0.00 0.00 61.69 62.31 1x0o s THR 111 Cb -0.16 -3.75 0.03 0.00 0.01 0.00 0.00 72.50 68.63 1x0o s THR 111 CO -0.08 0.11 1.18 0.21 -0.69 0.00 0.00 174.62 175.34 1x0o s ASN 112 N 1.63 6.60 0.00 3.53 3.04 -1.19 -1.44 114.94 127.12 1x0o s ASN 112 Ca 0.16 0.55 0.00 0.00 0.04 0.00 0.00 52.86 53.62 1x0o s ASN 112 Cb -0.16 -2.55 0.00 0.00 -1.54 0.00 0.00 41.25 37.00 1x0o s ASN 112 CO 0.10 -1.26 0.00 0.52 -3.04 0.00 0.00 177.10 173.42 1x0o n VAL 113 N 6.83 0.00 -3.19 -5.21 0.31 -0.58 -4.98 118.33 111.51 1x0o n VAL 113 Ca 0.13 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.25 1x0o n VAL 113 Cb 0.49 -0.36 0.06 0.00 -0.91 0.00 0.00 33.84 33.12 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 0.23 2.23 -0.04 5.55 1.02 -1.19 -4.96 119.74 122.58 1x0o s LYS 114 Ca 0.00 -1.77 0.04 0.00 0.02 0.00 0.00 55.97 54.25 1x0o s LYS 114 Cb 0.00 -2.53 0.00 0.00 -0.52 0.00 0.00 37.83 34.78 1x0o s LYS 114 CO 0.00 -0.91 -0.15 1.21 -0.92 0.00 0.00 175.35 174.58 1x0o s ASN 115 N -4.65 1.91 0.16 2.83 3.84 -1.26 0.04 114.94 117.82 1x0o s ASN 115 Ca 0.58 -0.31 0.10 0.00 0.21 0.00 0.00 52.86 53.44 1x0o s ASN 115 Cb -0.05 -0.59 -0.12 0.00 -0.55 0.00 0.00 41.25 39.95 1x0o s ASN 115 CO 0.37 0.12 1.28 -1.28 -2.79 0.00 0.00 177.10 174.79 1x0o h SER 116 N 6.40 0.00 -2.11 -4.21 0.87 -1.66 -3.45 113.55 109.39 1x0o h SER 116 Ca -0.32 0.00 0.20 0.00 -1.23 0.00 0.00 61.79 60.44 1x0o h SER 116 Cb 1.18 0.00 -0.33 0.00 -0.44 0.00 0.00 62.40 62.81 1x0o h SER 116 CO 0.48 0.81 0.75 -0.55 -0.53 0.00 0.00 176.83 177.79 1x0o s SER 117 N -6.55 -0.09 0.04 6.23 0.15 -1.20 -4.99 113.70 107.30 1x0o s SER 117 Ca 0.02 0.15 0.22 0.00 0.70 0.00 0.00 55.95 57.04 1x0o s SER 117 Cb 0.09 0.90 0.92 0.00 -1.71 0.00 0.00 66.02 66.22 1x0o s SER 117 CO 0.79 -0.02 1.70 0.00 1.20 0.00 0.00 173.24 176.92 1x0o n GLN 118 N 2.89 0.04 0.00 5.44 1.13 -1.26 -3.82 117.38 121.80 1x0o n GLN 118 Ca -0.16 0.16 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1x0o n GLN 118 Cb 0.56 -1.57 0.00 0.00 0.11 0.00 0.00 30.24 29.35 1x0o n GLN 118 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77