#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 -2.49 -2.77 4.61 0.00 -1.26 -5.01 120.51 113.58 1x0o n ALA 2 Ca 0.00 0.06 -0.34 0.00 0.00 0.00 0.00 53.44 53.17 1x0o n ALA 2 Cb 0.00 -3.48 -0.05 0.00 0.00 0.00 0.00 19.45 15.92 1x0o n ALA 2 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1x0o s MET 3 N -3.64 3.56 0.36 0.00 -1.94 -1.26 -5.00 119.30 111.39 1x0o s MET 3 Ca 0.21 -0.14 0.17 0.00 -1.71 0.00 0.00 55.69 54.22 1x0o s MET 3 Cb -0.03 -3.04 0.66 0.00 2.01 0.00 0.00 34.83 34.44 1x0o s MET 3 CO 0.74 0.62 1.74 0.38 -0.01 0.00 0.00 175.02 178.49 1x0o h ASP 4 N 3.67 0.00 -4.11 3.03 2.03 -1.97 -3.47 116.42 115.60 1x0o h ASP 4 Ca -0.49 0.00 -0.38 0.00 -0.73 0.00 0.00 57.03 55.43 1x0o h ASP 4 Cb 1.19 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.69 1x0o h ASP 4 CO 0.69 0.41 -0.54 0.59 -1.03 0.00 0.00 179.24 179.35 1x0o n ASN 5 N -3.66 -5.42 -0.84 4.15 3.02 -1.26 -4.26 115.26 106.99 1x0o n ASN 5 Ca -0.01 -0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 1x0o n ASN 5 Cb 0.50 -4.45 0.00 0.00 -0.61 0.00 0.00 39.78 35.22 1x0o n ASN 5 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1x0o n VAL 6 N -4.13 -4.54 -1.62 2.41 0.31 -1.26 -4.91 118.33 104.59 1x0o n VAL 6 Ca -0.14 0.95 -0.51 0.00 -0.01 0.00 0.00 64.34 64.62 1x0o n VAL 6 Cb 0.63 -2.66 -0.06 0.00 -0.91 0.00 0.00 33.84 30.84 1x0o n VAL 6 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x0o s GLN 8 N 0.93 1.88 1.02 0.00 -1.52 -1.26 -5.10 119.66 115.60 1x0o s GLN 8 Ca 0.85 -1.78 -0.11 0.00 -1.95 0.00 0.00 55.36 52.37 1x0o s GLN 8 Cb -0.91 -1.83 0.20 0.00 -0.22 0.00 0.00 33.01 30.26 1x0o s GLN 8 CO 0.47 0.23 1.09 -2.14 -0.25 0.00 0.00 175.29 174.69 1x0o s PRO 9 N -3.60 0.20 -0.19 2.91 0.02 -1.26 -4.77 135.00 128.32 1x0o s PRO 9 Ca 0.32 1.18 0.04 0.00 0.02 0.00 0.00 61.00 62.56 1x0o s PRO 9 Cb -0.02 -1.66 0.38 0.00 0.02 0.00 0.00 34.50 33.22 1x0o s PRO 9 CO 0.17 -3.07 1.34 2.41 -0.33 0.00 0.00 177.00 177.52 1x0o n THR 10 N -4.50 1.84 -4.19 0.99 -1.04 -1.26 -4.14 114.28 101.99 1x0o n THR 10 Ca 0.08 -0.88 -0.18 0.00 -2.04 0.00 0.00 64.05 61.03 1x0o n THR 10 Cb 0.53 -0.59 -0.15 0.00 -1.82 0.00 0.00 70.33 68.30 1x0o n THR 10 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1x0o s GLU 11 N -1.78 0.64 0.14 -2.82 2.12 -1.26 -3.02 118.70 112.73 1x0o s GLU 11 Ca 0.29 -0.16 0.04 0.00 0.36 0.00 0.00 54.97 55.50 1x0o s GLU 11 Cb 0.23 -0.65 -0.04 0.00 0.26 0.00 0.00 34.13 33.93 1x0o s GLU 11 CO 0.07 0.03 -0.10 -0.59 -0.54 0.00 0.00 175.26 174.12 1x0o s PHE 12 N 0.38 1.25 -0.06 5.30 -0.71 -0.76 -4.83 117.98 118.54 1x0o s PHE 12 Ca -0.05 -0.74 0.05 0.00 -1.04 0.00 0.00 56.93 55.15 1x0o s PHE 12 Cb -0.09 -0.64 -0.02 0.00 -1.21 0.00 0.00 43.02 41.07 1x0o s PHE 12 CO -0.00 0.08 -0.21 0.42 -1.34 0.00 0.00 175.22 174.16 1x0o s ILE 13 N -3.22 2.41 -0.00 -4.49 -1.09 -1.26 -1.23 121.20 112.32 1x0o s ILE 13 Ca 0.15 -0.94 -0.01 0.00 -2.23 0.00 0.00 60.65 57.62 1x0o s ILE 13 Cb 0.02 -1.91 -0.00 0.00 -1.58 0.00 0.00 42.46 38.99 1x0o s ILE 13 CO 0.01 0.57 0.01 -0.44 -1.23 0.00 0.00 174.94 173.86 1x0o s SER 14 N -0.25 0.05 -0.23 3.58 0.01 -0.64 -2.06 113.70 114.16 1x0o s SER 14 Ca -0.00 -0.11 -0.11 0.00 1.31 0.00 0.00 55.95 57.04 1x0o s SER 14 Cb -0.13 0.07 -0.05 0.00 0.21 0.00 0.00 66.02 66.12 1x0o s SER 14 CO 0.03 -0.10 0.17 -0.13 0.41 0.00 0.00 173.24 173.62 1x0o s ARG 15 N -0.44 4.10 0.02 12.44 0.52 0.53 -0.18 118.95 135.94 1x0o s ARG 15 Ca -0.05 -0.23 -0.01 0.00 -0.52 0.00 0.00 55.73 54.92 1x0o s ARG 15 Cb -0.03 -3.52 -0.01 0.00 0.52 0.00 0.00 34.95 31.91 1x0o s ARG 15 CO -0.00 0.10 0.01 -3.38 0.02 0.00 0.00 175.30 172.05 1x0o s HIS 16 N 0.93 0.20 0.54 -0.53 -3.43 -0.13 -0.77 115.29 112.10 1x0o s HIS 16 Ca 0.08 -0.42 -0.21 0.00 -0.80 0.00 0.00 55.06 53.71 1x0o s HIS 16 Cb -0.13 -0.15 -0.05 0.00 -1.43 0.00 0.00 32.58 30.82 1x0o s HIS 16 CO 0.03 -0.20 1.30 1.21 -2.00 0.00 0.00 174.74 175.09 1x0o s ASN 17 N -1.37 5.40 0.64 7.38 3.84 0.17 -0.70 114.94 130.30 1x0o s ASN 17 Ca -0.15 2.63 0.35 0.00 0.21 0.00 0.00 52.86 55.90 1x0o s ASN 17 Cb -0.09 -2.62 1.91 0.00 -0.55 0.00 0.00 41.25 39.90 1x0o s ASN 17 CO -0.00 -1.47 2.13 0.16 -2.79 0.00 0.00 177.10 175.12 1x0o h ILE 18 N 1.42 0.15 -0.04 -5.21 3.07 -1.91 0.65 117.51 115.63 1x0o h ILE 18 Ca -0.51 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.90 1x0o h ILE 18 Cb 1.29 0.83 0.00 0.00 -0.27 0.00 0.00 36.82 38.67 1x0o h ILE 18 CO 0.57 0.00 0.00 -0.62 -1.05 0.00 0.00 178.15 177.05 1x0o n GLU 19 N -3.24 1.33 0.00 0.16 1.02 -1.26 -4.86 120.64 113.80 1x0o n GLU 19 Ca -0.01 -0.49 0.00 0.00 -0.02 0.00 0.00 57.16 56.64 1x0o n GLU 19 Cb 0.26 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 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 1.02 0.85 3.63 0.62 0.00 0.22 -4.79 105.19 106.74 1x0o n GLY 20 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 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 4.37 -0.06 -0.61 -1.09 -0.89 -1.31 121.20 119.61 1x0o s ILE 21 Ca 0.00 1.55 -0.30 0.00 -2.23 0.00 0.00 60.65 59.67 1x0o s ILE 21 Cb 0.00 -4.38 -0.05 0.00 -1.58 0.00 0.00 42.46 36.45 1x0o s ILE 21 CO 0.00 -0.56 1.49 -0.36 -1.23 0.00 0.00 174.94 174.28 1x0o s PHE 22 N 3.96 2.45 -0.24 3.97 0.08 -0.49 0.46 117.98 128.16 1x0o s PHE 22 Ca 0.49 0.56 0.05 0.00 0.12 0.00 0.00 56.93 58.15 1x0o s PHE 22 Cb -0.13 -3.75 -0.18 0.00 -0.57 0.00 0.00 43.02 38.39 1x0o s PHE 22 CO 0.20 -2.96 -0.17 2.41 -0.10 0.00 0.00 175.22 174.60 1x0o n THR 23 N 5.18 1.44 -3.71 0.64 -1.04 0.05 -1.52 114.28 115.32 1x0o n THR 23 Ca 0.15 -0.61 -0.12 0.00 -2.04 0.00 0.00 64.05 61.43 1x0o n THR 23 Cb 0.43 -1.24 -0.13 0.00 -1.82 0.00 0.00 70.33 67.57 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 -2.50 -0.37 -0.04 -1.42 5.36 -0.64 -4.95 117.98 113.42 1x0o s PHE 24 Ca -0.30 0.86 0.05 0.00 -0.96 0.00 0.00 56.93 56.58 1x0o s PHE 24 Cb 0.08 0.05 -0.01 0.00 -0.34 0.00 0.00 43.02 42.80 1x0o s PHE 24 CO 0.63 -0.26 -0.19 0.08 -1.46 0.00 0.00 175.22 174.01 1x0o s VAL 25 N 1.48 1.55 0.34 3.12 1.01 -1.26 -0.35 120.40 126.29 1x0o s VAL 25 Ca -0.08 -0.80 -0.20 0.00 0.00 0.00 0.00 61.98 60.91 1x0o s VAL 25 Cb -0.11 -1.31 -0.10 0.00 0.00 0.00 0.00 36.38 34.87 1x0o s VAL 25 CO -0.09 0.44 0.84 -0.62 0.00 0.00 0.00 175.10 175.68 1x0o s ASP 26 N -0.16 6.97 0.38 3.32 2.15 -0.87 -4.75 116.67 123.72 1x0o s ASP 26 Ca 0.00 1.54 0.21 0.00 0.43 0.00 0.00 52.55 54.73 1x0o s ASP 26 Cb -0.10 -2.47 1.14 0.00 -0.30 0.00 0.00 42.92 41.19 1x0o s ASP 26 CO 0.01 -0.20 1.61 0.45 -0.17 0.00 0.00 175.17 176.87 1x0o h HIS 27 N 2.48 0.00 0.00 -5.34 3.86 -1.94 -1.94 115.15 112.27 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 -2.30 0.10 -0.07 2.45 1.74 -1.26 -2.20 116.66 115.12 1x0o n ARG 28 Ca -0.01 0.22 0.02 0.00 -0.77 0.00 0.00 57.85 57.30 1x0o n ARG 28 Cb 0.18 -1.50 0.33 0.00 -1.02 0.00 0.00 32.46 30.45 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 0.69 1.28 0.02 0.00 2.07 -0.71 0.69 116.25 120.29 1x0o h VAL 30 Ca 0.18 -1.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.38 1x0o h VAL 30 Cb 0.04 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1x0o h VAL 30 CO -0.03 0.44 -0.01 0.00 0.02 0.00 0.00 177.57 178.00 1x0o h ALA 31 N 0.82 -0.02 0.51 1.67 0.00 -1.71 0.15 119.26 120.68 1x0o h ALA 31 Ca 0.09 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1x0o h ALA 31 Cb 0.74 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.54 1x0o h ALA 31 CO 0.06 -0.25 -0.25 1.15 0.00 0.00 0.00 179.25 179.96 1x0o h THR 32 N -0.55 0.49 0.00 0.00 2.02 -1.40 -3.39 112.91 110.07 1x0o h THR 32 Ca -0.00 -0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.07 1x0o h THR 32 Cb 0.53 0.50 -0.22 0.00 -1.74 0.00 0.00 68.15 67.21 1x0o h THR 32 CO 0.00 0.00 -0.79 1.33 0.37 0.00 0.00 175.52 176.44 1x0o n VAL 33 N -5.39 0.24 0.00 3.16 0.24 0.20 -4.96 118.33 111.83 1x0o n VAL 33 Ca -0.12 -0.91 0.00 0.00 -2.04 0.00 0.00 64.34 61.27 1x0o n VAL 33 Cb 0.29 0.70 0.00 0.00 -1.47 0.00 0.00 33.84 33.36 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 0.14 1.52 3.78 7.63 0.00 0.51 0.09 105.19 118.87 1x0o n GLY 34 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.36 3.10 0.43 1.61 2.02 -1.19 -4.60 117.35 118.35 1x0o s TYR 35 Ca 0.00 1.60 -0.04 0.00 -0.37 0.00 0.00 57.07 58.26 1x0o s TYR 35 Cb 0.00 -3.18 -0.04 0.00 -0.40 0.00 0.00 41.96 38.34 1x0o s TYR 35 CO 0.00 -0.91 0.71 -0.65 -1.57 0.00 0.00 175.55 173.13 1x0o s GLN 36 N -2.72 3.55 0.21 -0.62 -1.52 -1.26 -1.30 119.66 116.01 1x0o s GLN 36 Ca 0.62 0.07 -0.09 0.00 -1.95 0.00 0.00 55.36 54.01 1x0o s GLN 36 Cb -0.22 -2.47 0.31 0.00 -0.22 0.00 0.00 33.01 30.41 1x0o s GLN 36 CO 0.28 -0.07 1.71 -1.35 -0.25 0.00 0.00 175.29 175.60 1x0o h PRO 37 N 0.56 0.27 -0.83 2.91 0.11 -1.86 0.00 132.00 133.16 1x0o h PRO 37 Ca -0.48 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 65.71 1x0o h PRO 37 Cb 1.21 -0.06 -0.06 0.00 0.11 0.00 0.00 31.00 32.20 1x0o h PRO 37 CO 0.62 0.18 0.54 1.96 -0.21 0.00 0.00 178.00 181.09 1x0o h GLN 38 N 0.28 0.76 -0.21 1.05 7.50 -1.93 -2.38 115.11 120.18 1x0o h GLN 38 Ca 0.33 -0.05 -0.04 0.00 0.50 0.00 0.00 58.65 59.39 1x0o h GLN 38 Cb 0.48 -0.17 -0.01 0.00 0.05 0.00 0.00 27.48 27.83 1x0o h GLN 38 CO -0.40 0.50 -0.03 0.93 -1.50 0.00 0.00 178.83 178.33 1x0o h GLU 39 N 0.79 0.31 0.01 1.46 4.39 -1.36 -2.11 114.58 118.06 1x0o h GLU 39 Ca 0.38 -0.06 -0.26 0.00 0.34 0.00 0.00 59.36 59.77 1x0o h GLU 39 Cb 0.43 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.99 1x0o h GLU 39 CO -0.15 0.37 -1.40 -0.07 -1.16 0.00 0.00 179.01 176.59 1x0o h LEU 40 N 0.31 0.02 -8.85 1.33 -0.00 -1.41 -3.44 115.31 103.27 1x0o h LEU 40 Ca 0.07 -0.03 -0.55 0.00 -0.00 0.00 0.00 57.88 57.36 1x0o h LEU 40 Cb 0.26 -0.01 -0.00 0.00 -0.00 0.00 0.00 40.66 40.91 1x0o h LEU 40 CO 0.01 1.03 1.50 -0.76 -0.00 0.00 0.00 178.44 180.21 1x0o s LEU 41 N -6.40 3.43 0.00 1.67 1.43 -0.80 -0.32 118.68 117.69 1x0o s LEU 41 Ca -0.03 1.53 0.00 0.00 -1.03 0.00 0.00 54.13 54.61 1x0o s LEU 41 Cb 0.09 -3.21 0.00 0.00 0.03 0.00 0.00 46.19 43.09 1x0o s LEU 41 CO 0.82 -2.19 0.00 0.61 0.23 0.00 0.00 176.35 175.83 1x0o n GLY 42 N 5.78 0.66 3.76 -3.19 0.00 -0.58 -4.96 105.19 106.66 1x0o n GLY 42 Ca 0.30 0.00 -0.27 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 -0.59 2.78 0.11 1.61 -0.14 0.56 -4.86 119.74 119.22 1x0o s LYS 43 Ca 0.00 -0.89 -0.26 0.00 -1.36 0.00 0.00 55.97 53.46 1x0o s LYS 43 Cb 0.00 -2.59 -0.07 0.00 -1.68 0.00 0.00 37.83 33.49 1x0o s LYS 43 CO 0.00 0.49 0.79 -0.80 -0.76 0.00 0.00 175.35 175.07 1x0o s ASN 44 N -2.95 7.33 0.66 2.83 -0.87 -1.25 -1.39 114.94 119.29 1x0o s ASN 44 Ca 0.30 1.58 0.42 0.00 -1.57 0.00 0.00 52.86 53.58 1x0o s ASN 44 Cb -0.10 -2.49 2.30 0.00 -0.02 0.00 0.00 41.25 40.93 1x0o s ASN 44 CO 0.22 0.10 2.31 -0.29 -2.57 0.00 0.00 177.10 176.88 1x0o h ILE 45 N 3.72 0.04 0.00 0.60 2.10 -1.51 0.04 117.51 122.51 1x0o h ILE 45 Ca -0.45 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.49 1x0o h ILE 45 Cb 1.21 0.96 0.00 0.00 -1.09 0.00 0.00 36.82 37.89 1x0o h ILE 45 CO 0.69 0.00 0.00 1.62 -1.08 0.00 0.00 178.15 179.38 1x0o h VAL 46 N 0.00 0.00 -0.05 2.19 3.04 -1.90 -1.98 116.25 117.55 1x0o h VAL 46 Ca 0.00 -0.45 -0.19 0.00 -1.01 0.00 0.00 66.70 65.04 1x0o h VAL 46 Cb 0.09 1.38 -0.00 0.00 -2.01 0.00 0.00 31.29 30.74 1x0o h VAL 46 CO -0.00 0.00 -0.79 -0.33 -1.01 0.00 0.00 177.57 175.44 1x0o h GLU 47 N 0.00 0.38 -0.67 4.17 5.08 -1.37 -3.14 114.58 119.02 1x0o h GLU 47 Ca 0.00 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1x0o h GLU 47 Cb 0.64 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1x0o h GLU 47 CO 0.00 0.99 0.00 1.19 -1.00 0.00 0.00 179.01 180.19 1x0o n PHE 48 N -3.80 1.12 -3.28 4.33 3.72 -1.09 -4.93 117.46 113.53 1x0o n PHE 48 Ca -0.05 -0.54 -0.39 0.00 -0.05 0.00 0.00 57.45 56.42 1x0o n PHE 48 Cb 0.74 -0.09 -0.06 0.00 -0.94 0.00 0.00 39.48 39.13 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 1.89 1.89 0.30 0.00 -0.00 -0.18 -4.73 115.22 114.40 1x0o n HIS 50 Ca -0.10 0.53 0.13 0.00 0.46 0.00 0.00 57.72 58.74 1x0o n HIS 50 Cb 0.51 -2.43 0.69 0.00 -0.12 0.00 0.00 29.99 28.64 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 6.38 0.00 -0.01 1.57 0.13 -1.93 0.64 132.00 138.78 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 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1x0o h PRO 51 CO 0.89 0.00 -0.46 0.39 -0.23 0.00 0.00 178.00 178.59 1x0o n GLU 52 N -2.71 0.70 0.00 0.86 1.02 -1.26 -4.14 120.64 115.11 1x0o n GLU 52 Ca -0.02 -0.50 0.00 0.00 -0.02 0.00 0.00 57.16 56.63 1x0o n GLU 52 Cb 0.39 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 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 -0.72 1.08 -0.27 1.62 8.00 0.21 -4.72 116.55 121.75 1x0o n ASP 53 Ca 0.09 -1.29 -0.06 0.00 0.71 0.00 0.00 54.79 54.25 1x0o n ASP 53 Cb 0.38 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.55 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 1.15 -0.06 -1.24 4.20 -1.44 -1.07 115.11 116.65 1x0o h GLN 54 Ca 0.00 -0.23 -0.15 0.00 0.06 0.00 0.00 58.65 58.33 1x0o h GLN 54 Cb 0.29 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1x0o h GLN 54 CO 0.00 0.96 -0.63 0.37 -0.67 0.00 0.00 178.83 178.86 1x0o h GLN 55 N 1.11 0.23 -0.59 1.46 5.75 -1.86 -2.56 115.11 118.65 1x0o h GLN 55 Ca 0.25 -0.17 0.02 0.00 -0.15 0.00 0.00 58.65 58.60 1x0o h GLN 55 Cb 0.26 0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.81 1x0o h GLN 55 CO -0.01 0.78 0.38 1.25 -2.65 0.00 0.00 178.83 178.58 1x0o h LEU 56 N 0.17 0.64 -0.32 -2.39 5.85 -1.61 0.11 115.31 117.75 1x0o h LEU 56 Ca -0.01 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1x0o h LEU 56 Cb 1.14 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 1x0o h LEU 56 CO 0.10 0.45 0.17 -0.07 -0.34 0.00 0.00 178.44 178.76 1x0o h LEU 57 N 0.76 0.41 0.19 2.25 3.38 -1.16 -2.35 115.31 118.79 1x0o h LEU 57 Ca 0.23 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.11 1x0o h LEU 57 Cb -0.04 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1x0o h LEU 57 CO -0.07 0.38 -0.23 -0.09 0.09 0.00 0.00 178.44 178.52 1x0o h ARG 58 N 0.40 -0.45 -0.62 1.13 2.43 -0.94 0.17 114.38 116.51 1x0o h ARG 58 Ca 0.11 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.39 1x0o h ARG 58 Cb 0.07 0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 29.66 1x0o h ARG 58 CO -0.02 -0.30 0.29 0.22 -1.51 0.00 0.00 179.97 178.66 1x0o h ASP 59 N -0.47 0.38 0.23 -3.80 3.58 -0.80 -0.43 116.42 115.12 1x0o h ASP 59 Ca 0.01 0.05 -0.19 0.00 0.42 0.00 0.00 57.03 57.32 1x0o h ASP 59 Cb 0.45 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.48 1x0o h ASP 59 CO -0.07 0.24 -0.73 0.28 -2.88 0.00 0.00 179.24 176.07 1x0o h SER 60 N 0.53 0.51 -0.11 2.28 0.02 -1.10 -2.22 113.55 113.47 1x0o h SER 60 Ca 0.30 -0.34 -0.08 0.00 -0.84 0.00 0.00 61.79 60.83 1x0o h SER 60 Cb 0.28 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1x0o h SER 60 CO -0.24 1.08 -0.18 -0.26 -1.14 0.00 0.00 176.83 176.09 1x0o h PHE 61 N 0.29 0.54 -0.41 3.45 -1.00 -0.09 -0.93 116.94 118.79 1x0o h PHE 61 Ca -0.03 -0.10 -0.08 0.00 2.81 0.00 0.00 57.97 60.57 1x0o h PHE 61 Cb 1.31 -0.14 -0.02 0.00 3.61 0.00 0.00 35.95 40.71 1x0o h PHE 61 CO 0.05 0.65 -0.06 1.96 -1.61 0.00 0.00 178.31 179.30 1x0o h GLN 62 N 0.45 0.69 -0.04 1.51 1.08 -0.88 -2.72 115.11 115.21 1x0o h GLN 62 Ca 0.08 -0.20 -0.17 0.00 -1.45 0.00 0.00 58.65 56.91 1x0o h GLN 62 Cb 0.57 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.92 1x0o h GLN 62 CO 0.04 0.75 -0.73 1.96 -0.95 0.00 0.00 178.83 179.90 1x0o h GLN 63 N 0.64 0.21 0.00 1.46 4.20 -0.70 -1.01 115.11 119.91 1x0o h GLN 63 Ca 0.12 -0.18 -0.09 0.00 0.06 0.00 0.00 58.65 58.56 1x0o h GLN 63 Cb 0.49 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 1x0o h GLN 63 CO 0.03 0.85 -0.44 -0.24 -0.67 0.00 0.00 178.83 178.36 1x0o h VAL 64 N 0.14 1.23 0.00 -0.54 3.04 -1.08 0.48 116.25 119.54 1x0o h VAL 64 Ca -0.02 -1.54 -0.02 0.00 -1.01 0.00 0.00 66.70 64.11 1x0o h VAL 64 Cb 1.29 1.85 -0.00 0.00 -2.01 0.00 0.00 31.29 32.41 1x0o h VAL 64 CO 0.11 0.43 -0.11 0.58 -1.01 0.00 0.00 177.57 177.57 1x0o h VAL 65 N 0.00 0.23 0.10 1.51 2.07 -1.17 0.18 116.25 119.18 1x0o h VAL 65 Ca -0.00 -1.01 -0.15 0.00 0.82 0.00 0.00 66.70 66.36 1x0o h VAL 65 Cb 0.81 1.83 0.02 0.00 -1.52 0.00 0.00 31.29 32.43 1x0o h VAL 65 CO 0.06 0.11 -0.65 0.11 0.02 0.00 0.00 177.57 177.21 1x0o h LYS 66 N 0.00 0.26 0.05 1.57 1.57 0.16 -3.37 116.57 116.81 1x0o h LYS 66 Ca -0.00 -0.42 -0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1x0o h LYS 66 Cb 0.82 0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.28 1x0o h LYS 66 CO 0.01 1.18 -0.02 -0.07 -0.57 0.00 0.00 179.45 179.98 1x0o h LEU 67 N -0.45 -0.06 -2.12 2.94 3.38 -0.04 -3.50 115.31 115.47 1x0o h LEU 67 Ca -0.11 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.48 1x0o h LEU 67 Cb 1.49 0.01 -0.11 0.00 0.09 0.00 0.00 40.66 42.15 1x0o h LEU 67 CO 0.12 0.36 -1.39 0.29 0.09 0.00 0.00 178.44 177.91 1x0o n LYS 68 N -4.92 -4.08 0.00 1.13 5.02 0.63 -4.55 118.16 111.40 1x0o n LYS 68 Ca -0.08 3.13 0.00 0.00 -2.02 0.00 0.00 58.31 59.34 1x0o n LYS 68 Cb 0.23 -4.77 0.00 0.00 -0.02 0.00 0.00 35.03 30.47 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 1.42 2.70 3.80 0.72 0.00 -1.26 -5.02 105.19 107.55 1x0o n GLY 69 Ca -0.34 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.30 1x0o n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1x0o s GLN 70 N -0.91 4.10 -0.17 1.61 2.00 -1.26 -4.90 119.66 120.13 1x0o s GLN 70 Ca 0.00 0.51 -0.29 0.00 -2.00 0.00 0.00 55.36 53.58 1x0o s GLN 70 Cb 0.00 -3.28 -0.01 0.00 0.80 0.00 0.00 33.01 30.52 1x0o s GLN 70 CO 0.00 0.55 1.19 0.54 -0.50 0.00 0.00 175.29 177.07 1x0o s VAL 71 N -0.68 4.40 -0.23 1.34 0.11 -1.25 -4.61 120.40 119.48 1x0o s VAL 71 Ca 0.26 1.69 -0.00 0.00 -2.93 0.00 0.00 61.98 61.00 1x0o s VAL 71 Cb -0.17 -4.09 0.03 0.00 -1.53 0.00 0.00 36.38 30.61 1x0o s VAL 71 CO 0.14 -0.13 -0.11 -0.22 -3.33 0.00 0.00 175.10 171.44 1x0o s LEU 72 N 3.28 2.88 -0.17 2.54 2.96 -0.45 -4.84 118.68 124.88 1x0o s LEU 72 Ca 0.52 -0.87 -0.21 0.00 -0.22 0.00 0.00 54.13 53.35 1x0o s LEU 72 Cb -0.20 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 1x0o s LEU 72 CO 0.13 -0.09 0.61 -0.94 -1.32 0.00 0.00 176.35 174.74 1x0o s SER 73 N 1.28 6.71 -0.06 3.68 1.04 -1.26 0.21 113.70 125.31 1x0o s SER 73 Ca 0.00 0.86 0.04 0.00 0.48 0.00 0.00 55.95 57.33 1x0o s SER 73 Cb -0.16 -2.34 0.00 0.00 0.10 0.00 0.00 66.02 63.62 1x0o s SER 73 CO -0.07 -0.21 -0.17 0.54 0.98 0.00 0.00 173.24 174.31 1x0o s VAL 74 N 1.58 1.43 -0.16 5.02 0.11 0.42 -4.98 120.40 123.82 1x0o s VAL 74 Ca 0.29 -0.69 -0.02 0.00 -2.93 0.00 0.00 61.98 58.63 1x0o s VAL 74 Cb -0.16 -1.24 -0.01 0.00 -1.53 0.00 0.00 36.38 33.43 1x0o s VAL 74 CO 0.11 0.41 -0.09 -0.32 -3.33 0.00 0.00 175.10 171.88 1x0o s MET 75 N 0.24 3.43 0.37 1.54 1.75 -1.26 -0.24 119.30 125.12 1x0o s MET 75 Ca -0.08 -0.64 -0.07 0.00 -1.25 0.00 0.00 55.69 53.65 1x0o s MET 75 Cb -0.13 -2.77 0.02 0.00 2.84 0.00 0.00 34.83 34.79 1x0o s MET 75 CO 0.03 0.12 0.59 -0.59 -0.65 0.00 0.00 175.02 174.53 1x0o s PHE 76 N 0.62 0.76 -0.30 4.11 -0.71 -0.36 -4.98 117.98 117.12 1x0o s PHE 76 Ca -0.06 -1.15 -0.09 0.00 -1.04 0.00 0.00 56.93 54.60 1x0o s PHE 76 Cb -0.15 0.24 -0.01 0.00 -1.21 0.00 0.00 43.02 41.89 1x0o s PHE 76 CO 0.03 -1.31 0.13 1.03 -1.34 0.00 0.00 175.22 173.76 1x0o s ARG 77 N -2.70 3.38 -0.00 1.99 0.52 -1.26 -0.72 118.95 120.16 1x0o s ARG 77 Ca 0.25 -0.68 -0.19 0.00 -0.52 0.00 0.00 55.73 54.60 1x0o s ARG 77 Cb -0.02 -3.50 -0.06 0.00 0.52 0.00 0.00 34.95 31.89 1x0o s ARG 77 CO 0.18 -0.37 0.53 0.12 0.02 0.00 0.00 175.30 175.77 1x0o s PHE 78 N 1.60 3.70 -0.65 -0.53 2.19 0.17 -1.01 117.98 123.46 1x0o s PHE 78 Ca 0.05 1.13 -0.26 0.00 0.33 0.00 0.00 56.93 58.18 1x0o s PHE 78 Cb -0.17 -2.50 0.04 0.00 -1.31 0.00 0.00 43.02 39.08 1x0o s PHE 78 CO 0.05 0.45 1.13 0.50 1.83 0.00 0.00 175.22 179.18 1x0o s ARG 79 N -0.48 3.28 1.30 10.12 3.52 0.30 -2.07 118.95 134.91 1x0o s ARG 79 Ca 0.28 -0.25 -0.19 0.00 -0.13 0.00 0.00 55.73 55.44 1x0o s ARG 79 Cb -0.18 -4.13 0.33 0.00 -1.56 0.00 0.00 34.95 29.41 1x0o s ARG 79 CO 0.16 -1.84 0.99 0.45 -0.81 0.00 0.00 175.30 174.24 1x0o s SER 80 N 3.37 -0.06 0.00 -2.12 0.15 -0.67 -4.79 113.70 109.57 1x0o s SER 80 Ca 0.33 1.06 0.12 0.00 0.70 0.00 0.00 55.95 58.16 1x0o s SER 80 Cb -0.11 -1.57 0.71 0.00 -1.71 0.00 0.00 66.02 63.35 1x0o s SER 80 CO 0.17 -4.78 1.16 1.17 1.20 0.00 0.00 173.24 172.16 1x0o n LYS 81 N -5.26 0.54 -0.18 5.44 3.00 0.11 -0.35 118.16 121.47 1x0o n LYS 81 Ca 0.09 0.00 0.08 0.00 -0.00 0.00 0.00 58.31 58.48 1x0o n LYS 81 Cb 0.58 -1.35 0.17 0.00 0.00 0.00 0.00 35.03 34.43 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 -0.85 3.01 -2.40 3.14 3.02 -1.26 -4.93 115.26 114.99 1x0o n ASN 82 Ca 0.09 -1.90 -0.20 0.00 -0.03 0.00 0.00 54.58 52.54 1x0o n ASN 82 Cb 0.04 -0.23 0.01 0.00 -0.61 0.00 0.00 39.78 38.99 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 -2.56 -3.96 3.52 3.00 0.53 -4.98 117.38 113.85 1x0o n GLN 83 Ca 0.14 0.90 -0.21 0.00 -0.01 0.00 0.00 57.00 57.83 1x0o n GLN 83 Cb 0.47 -5.52 -0.02 0.00 0.00 0.00 0.00 30.24 25.16 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 -5.18 3.42 -0.69 -1.09 -1.05 -1.25 -4.89 118.70 107.96 1x0o s GLU 84 Ca 0.10 -0.78 0.02 0.00 -0.15 0.00 0.00 54.97 54.16 1x0o s GLU 84 Cb -0.04 -2.88 0.17 0.00 -0.44 0.00 0.00 34.13 30.94 1x0o s GLU 84 CO 0.12 0.42 0.49 -1.58 0.95 0.00 0.00 175.26 175.66 1x0o s TRP 85 N -1.99 3.52 0.43 4.83 0.52 -1.26 -1.68 118.94 123.32 1x0o s TRP 85 Ca 0.34 -3.14 -0.03 0.00 0.02 0.00 0.00 56.10 53.30 1x0o s TRP 85 Cb -0.09 -2.93 -0.03 0.00 -1.15 0.00 0.00 33.47 29.27 1x0o s TRP 85 CO 0.29 -0.68 0.69 -0.48 0.02 0.00 0.00 176.95 176.79 1x0o s LEU 86 N -0.94 3.75 -0.41 2.99 0.05 -0.88 -4.51 118.68 118.73 1x0o s LEU 86 Ca 0.22 0.68 -0.25 0.00 0.05 0.00 0.00 54.13 54.83 1x0o s LEU 86 Cb -0.13 -3.58 0.02 0.00 -2.05 0.00 0.00 46.19 40.45 1x0o s LEU 86 CO -0.10 -0.51 0.87 0.26 -0.55 0.00 0.00 176.35 176.32 1x0o s TRP 87 N -2.58 3.02 -0.02 3.48 0.52 -0.46 -0.65 118.94 122.25 1x0o s TRP 87 Ca 0.45 0.50 0.05 0.00 0.02 0.00 0.00 56.10 57.13 1x0o s TRP 87 Cb -0.10 -3.70 -0.01 0.00 -1.15 0.00 0.00 33.47 28.51 1x0o s TRP 87 CO 0.41 -0.92 -0.18 1.41 0.02 0.00 0.00 176.95 177.69 1x0o s MET 88 N 3.45 1.53 -0.26 4.98 1.75 0.11 0.03 119.30 130.89 1x0o s MET 88 Ca 0.35 -0.65 -0.06 0.00 -1.25 0.00 0.00 55.69 54.08 1x0o s MET 88 Cb -0.12 -1.45 -0.01 0.00 2.84 0.00 0.00 34.83 36.09 1x0o s MET 88 CO 0.21 0.37 0.05 0.50 -0.65 0.00 0.00 175.02 175.50 1x0o s ARG 89 N -0.36 3.40 -0.21 4.11 3.52 0.63 -1.22 118.95 128.82 1x0o s ARG 89 Ca 0.05 -0.64 -0.15 0.00 -0.13 0.00 0.00 55.73 54.87 1x0o s ARG 89 Cb -0.08 -3.26 -0.04 0.00 -1.56 0.00 0.00 34.95 30.01 1x0o s ARG 89 CO -0.00 -0.27 0.37 0.99 -0.81 0.00 0.00 175.30 175.58 1x0o s THR 90 N 1.54 5.21 -0.28 4.11 2.01 0.66 -1.25 115.64 127.64 1x0o s THR 90 Ca 0.05 0.64 -0.19 0.00 0.31 0.00 0.00 61.69 62.51 1x0o s THR 90 Cb -0.16 -3.71 -0.02 0.00 0.01 0.00 0.00 72.50 68.63 1x0o s THR 90 CO 0.02 0.24 0.54 -0.44 -0.69 0.00 0.00 174.62 174.29 1x0o s SER 91 N 1.13 6.43 -0.07 3.53 0.01 0.73 -0.44 113.70 125.02 1x0o s SER 91 Ca 0.17 0.43 -0.18 0.00 1.31 0.00 0.00 55.95 57.68 1x0o s SER 91 Cb -0.15 -2.29 -0.05 0.00 0.21 0.00 0.00 66.02 63.74 1x0o s SER 91 CO 0.08 -0.36 0.49 -0.44 0.41 0.00 0.00 173.24 173.42 1x0o s SER 92 N 1.60 6.77 -0.01 2.44 0.01 0.13 -2.48 113.70 122.15 1x0o s SER 92 Ca 0.22 0.91 0.00 0.00 1.31 0.00 0.00 55.95 58.40 1x0o s SER 92 Cb -0.15 -2.30 0.01 0.00 0.21 0.00 0.00 66.02 63.79 1x0o s SER 92 CO 0.10 0.08 -0.00 0.12 0.41 0.00 0.00 173.24 173.95 1x0o s PHE 93 N 0.13 0.16 -0.30 2.43 5.36 -1.15 -1.35 117.98 123.26 1x0o s PHE 93 Ca 0.26 0.01 -0.09 0.00 -0.96 0.00 0.00 56.93 56.16 1x0o s PHE 93 Cb -0.16 -0.19 -0.00 0.00 -0.34 0.00 0.00 43.02 42.32 1x0o s PHE 93 CO 0.12 -0.05 0.13 0.95 -1.46 0.00 0.00 175.22 174.91 1x0o s THR 94 N 0.43 4.41 -0.58 0.12 -4.23 -1.26 -0.22 115.64 114.31 1x0o s THR 94 Ca -0.04 -0.48 -0.28 0.00 -1.18 0.00 0.00 61.69 59.72 1x0o s THR 94 Cb -0.06 -3.24 0.02 0.00 1.34 0.00 0.00 72.50 70.56 1x0o s THR 94 CO -0.01 0.09 1.32 0.12 -0.54 0.00 0.00 174.62 175.60 1x0o s PHE 95 N 1.58 2.40 -0.04 3.99 2.19 -0.69 -4.20 117.98 123.21 1x0o s PHE 95 Ca 0.04 0.42 -0.02 0.00 0.33 0.00 0.00 56.93 57.70 1x0o s PHE 95 Cb -0.17 -4.45 -0.04 0.00 -1.31 0.00 0.00 43.02 37.05 1x0o s PHE 95 CO 0.05 -1.84 0.09 -0.65 1.83 0.00 0.00 175.22 174.70 1x0o s GLN 96 N 5.31 3.17 -0.40 10.12 -0.21 -1.26 -1.98 119.66 134.41 1x0o s GLN 96 Ca 0.48 -0.38 -0.16 0.00 0.02 0.00 0.00 55.36 55.32 1x0o s GLN 96 Cb -0.09 -2.94 0.01 0.00 1.00 0.00 0.00 33.01 30.99 1x0o s GLN 96 CO 0.25 0.69 0.36 -0.80 -2.12 0.00 0.00 175.29 173.67 1x0o s ASN 97 N -1.46 6.15 0.00 5.90 0.01 0.33 -4.95 114.94 120.93 1x0o s ASN 97 Ca 0.20 -0.68 0.00 0.00 -0.71 0.00 0.00 52.86 51.67 1x0o s ASN 97 Cb -0.12 -2.19 0.00 0.00 0.41 0.00 0.00 41.25 39.35 1x0o s ASN 97 CO 0.10 -0.48 0.59 -0.81 -1.51 0.00 0.00 177.10 175.00 1x0o n PRO 98 N 5.38 0.49 -0.03 -0.60 -0.04 -1.26 -0.68 135.00 138.26 1x0o n PRO 98 Ca -0.09 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.32 1x0o n PRO 98 Cb 0.48 -1.26 -0.02 0.00 -0.04 0.00 0.00 33.50 32.65 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 0.98 0.00 0.11 0.54 4.02 -1.26 -4.72 117.16 116.83 1x0o n TYR 99 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 57.91 1x0o n TYR 99 Cb 0.24 -0.21 0.02 0.00 -0.02 0.00 0.00 39.34 39.37 1x0o n TYR 99 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1x0o n SER 100 N -2.81 1.42 -2.11 7.72 2.88 -1.01 -4.98 113.62 114.72 1x0o n SER 100 Ca -0.10 -1.26 -0.20 0.00 -1.33 0.00 0.00 58.87 55.97 1x0o n SER 100 Cb 0.60 -0.01 -0.04 0.00 -0.75 0.00 0.00 64.21 64.01 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 0.13 -5.64 -4.93 -3.46 8.00 0.15 -4.96 116.55 105.83 1x0o n ASP 101 Ca 0.02 0.18 -0.26 0.00 0.71 0.00 0.00 54.79 55.44 1x0o n ASP 101 Cb 0.11 -4.80 -0.02 0.00 -0.02 0.00 0.00 41.12 36.39 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 -4.57 3.52 -0.19 -1.24 4.04 -1.21 -4.80 118.70 114.26 1x0o s GLU 102 Ca 0.00 -0.33 -0.05 0.00 0.04 0.00 0.00 54.97 54.63 1x0o s GLU 102 Cb 0.00 -2.77 -0.03 0.00 0.02 0.00 0.00 34.13 31.36 1x0o s GLU 102 CO 0.00 0.30 0.00 0.42 -1.84 0.00 0.00 175.26 174.15 1x0o s ILE 103 N -2.04 4.07 -0.03 1.83 1.01 -1.26 -0.51 121.20 124.27 1x0o s ILE 103 Ca 0.39 -0.28 -0.15 0.00 0.00 0.00 0.00 60.65 60.61 1x0o s ILE 103 Cb -0.10 -2.82 -0.32 0.00 0.01 0.00 0.00 42.46 39.22 1x0o s ILE 103 CO 0.31 0.45 0.79 1.05 0.00 0.00 0.00 174.94 177.54 1x0o h GLU 104 N 7.17 0.42 -2.56 2.79 4.11 -1.79 -3.49 114.58 121.22 1x0o h GLU 104 Ca -0.35 -0.71 0.13 0.00 0.07 0.00 0.00 59.36 58.50 1x0o h GLU 104 Cb 1.18 0.26 -0.08 0.00 0.50 0.00 0.00 28.75 30.61 1x0o h GLU 104 CO 0.63 1.34 0.40 1.52 0.07 0.00 0.00 179.01 182.96 1x0o s TYR 105 N -2.55 -0.19 0.03 2.06 -0.85 -1.26 -4.91 117.35 109.67 1x0o s TYR 105 Ca -0.14 -0.13 -0.02 0.00 -0.52 0.00 0.00 57.07 56.26 1x0o s TYR 105 Cb 0.04 0.64 -0.04 0.00 0.38 0.00 0.00 41.96 42.98 1x0o s TYR 105 CO 0.87 -0.92 0.22 0.42 -1.52 0.00 0.00 175.55 174.62 1x0o s ILE 106 N -3.48 5.39 -0.28 -3.49 1.01 0.12 -1.70 121.20 118.77 1x0o s ILE 106 Ca 0.10 -0.19 -0.05 0.00 0.00 0.00 0.00 60.65 60.51 1x0o s ILE 106 Cb -0.03 -3.58 0.01 0.00 0.01 0.00 0.00 42.46 38.87 1x0o s ILE 106 CO 0.01 0.24 0.04 -0.63 0.00 0.00 0.00 174.94 174.61 1x0o s ILE 107 N -1.41 3.70 -0.59 2.92 1.01 0.69 -0.95 121.20 126.57 1x0o s ILE 107 Ca 0.31 -0.72 -0.22 0.00 0.00 0.00 0.00 60.65 60.02 1x0o s ILE 107 Cb -0.13 -2.88 0.06 0.00 0.01 0.00 0.00 42.46 39.53 1x0o s ILE 107 CO 0.22 0.15 0.84 0.00 0.00 0.00 0.00 174.94 176.15 1x0o s THR 109 N 3.50 4.73 -0.31 0.00 2.01 -1.04 -1.62 115.64 122.91 1x0o s THR 109 Ca 0.21 0.24 -0.04 0.00 0.31 0.00 0.00 61.69 62.42 1x0o s THR 109 Cb -0.17 -4.28 0.04 0.00 0.01 0.00 0.00 72.50 68.10 1x0o s THR 109 CO 0.12 -0.69 0.03 0.20 -0.69 0.00 0.00 174.62 173.60 1x0o s ASN 110 N 2.13 5.00 -0.26 3.53 -0.87 -0.36 -0.20 114.94 123.91 1x0o s ASN 110 Ca 0.26 -1.16 -0.03 0.00 -1.57 0.00 0.00 52.86 50.35 1x0o s ASN 110 Cb -0.13 -1.77 0.02 0.00 -0.02 0.00 0.00 41.25 39.34 1x0o s ASN 110 CO 0.20 -0.27 -0.02 -0.89 -2.57 0.00 0.00 177.10 173.56 1x0o s THR 111 N 1.32 3.23 -0.13 1.60 2.01 -0.38 -1.83 115.64 121.46 1x0o s THR 111 Ca -0.03 -0.88 -0.24 0.00 0.31 0.00 0.00 61.69 60.84 1x0o s THR 111 Cb -0.19 -2.63 -0.02 0.00 0.01 0.00 0.00 72.50 69.66 1x0o s THR 111 CO 0.00 0.18 0.77 0.21 -0.69 0.00 0.00 174.62 175.10 1x0o s ASN 112 N 1.39 6.95 0.00 3.53 3.84 -1.17 -0.27 114.94 129.21 1x0o s ASN 112 Ca 0.01 1.16 0.00 0.00 0.21 0.00 0.00 52.86 54.24 1x0o s ASN 112 Cb -0.17 -2.43 0.00 0.00 -0.55 0.00 0.00 41.25 38.10 1x0o s ASN 112 CO -0.02 -0.29 0.00 0.52 -2.79 0.00 0.00 177.10 174.52 1x0o n VAL 113 N 4.39 0.00 -2.39 -5.21 0.31 0.10 -4.96 118.33 110.58 1x0o n VAL 113 Ca 0.02 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.11 1x0o n VAL 113 Cb 0.50 -0.44 0.08 0.00 -0.91 0.00 0.00 33.84 33.07 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 0.03 2.03 0.07 5.55 1.02 -1.18 -4.94 119.74 122.33 1x0o s LYS 114 Ca 0.00 -0.62 0.03 0.00 0.02 0.00 0.00 55.97 55.40 1x0o s LYS 114 Cb 0.00 -2.27 -0.03 0.00 -0.52 0.00 0.00 37.83 35.01 1x0o s LYS 114 CO 0.00 -1.25 -0.08 1.21 -0.92 0.00 0.00 175.35 174.31 1x0o s ASN 115 N -4.58 1.12 -0.30 2.83 3.84 -1.26 -1.36 114.94 115.23 1x0o s ASN 115 Ca 0.62 -0.74 0.18 0.00 0.21 0.00 0.00 52.86 53.13 1x0o s ASN 115 Cb -0.09 0.04 0.47 0.00 -0.55 0.00 0.00 41.25 41.12 1x0o s ASN 115 CO 0.44 -0.28 1.17 -0.24 -2.79 0.00 0.00 177.10 175.40 1x0o n SER 116 N 0.82 0.63 0.00 -4.21 2.88 -1.26 -4.89 113.62 107.59 1x0o n SER 116 Ca -0.18 -2.28 0.00 0.00 -1.33 0.00 0.00 58.87 55.08 1x0o n SER 116 Cb 0.57 -0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 1x0o n SER 116 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1x0o n SER 117 N -0.64 0.00 -4.49 -3.46 3.41 -1.26 -4.81 113.62 102.37 1x0o n SER 117 Ca 0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.21 1x0o n SER 117 Cb 0.82 0.14 -0.00 0.00 -0.26 0.00 0.00 64.21 64.92 1x0o n SER 117 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x0o n GLN 118 N -1.70 3.06 -0.63 4.33 6.02 -1.26 -5.14 117.38 122.07 1x0o n GLN 118 Ca 0.00 -3.16 0.00 0.00 -0.01 0.00 0.00 57.00 53.83 1x0o n GLN 118 Cb 0.00 -3.49 0.00 0.00 1.02 0.00 0.00 30.24 27.77 1x0o n GLN 118 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44