#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 -0.97 4.61 0.00 -1.26 -4.94 120.51 117.95 1x0o n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1x0o n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1x0o n ALA 2 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1x0o n MET 3 N 0.00 -0.40 0.00 0.00 2.81 -1.26 -4.80 117.12 113.47 1x0o n MET 3 Ca 0.00 0.10 0.12 0.00 -1.81 0.00 0.00 57.70 56.11 1x0o n MET 3 Cb 0.00 -3.40 0.19 0.00 -0.71 0.00 0.00 33.22 29.30 1x0o n MET 3 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1x0o n ASP 4 N -0.20 0.88 -4.84 7.83 8.00 -1.26 -4.95 116.55 122.01 1x0o n ASP 4 Ca 0.00 -0.68 -0.37 0.00 0.71 0.00 0.00 54.79 54.45 1x0o n ASP 4 Cb 0.10 0.39 -0.06 0.00 -0.02 0.00 0.00 41.12 41.53 1x0o n ASP 4 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1x0o s ASN 5 N -2.82 6.81 -0.23 -2.24 4.22 -1.26 -5.08 114.94 114.34 1x0o s ASN 5 Ca 0.15 0.99 -0.26 0.00 -2.14 0.00 0.00 52.86 51.59 1x0o s ASN 5 Cb 0.18 -2.26 0.09 0.00 1.28 0.00 0.00 41.25 40.54 1x0o s ASN 5 CO 0.68 0.25 0.86 0.54 -2.04 0.00 0.00 177.10 177.38 1x0o s VAL 6 N -1.22 0.00 -0.45 3.54 0.11 -1.26 -5.04 120.40 116.08 1x0o s VAL 6 Ca 0.29 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 59.26 1x0o s VAL 6 Cb -0.16 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.70 1x0o s VAL 6 CO 0.16 0.00 0.52 0.00 -3.33 0.00 0.00 175.10 172.46 1x0o s GLN 8 N -2.57 1.88 0.85 0.00 -1.52 -1.26 -5.09 119.66 111.95 1x0o s GLN 8 Ca 0.13 -1.80 -0.12 0.00 -1.95 0.00 0.00 55.36 51.61 1x0o s GLN 8 Cb -0.04 -1.82 0.10 0.00 -0.22 0.00 0.00 33.01 31.03 1x0o s GLN 8 CO 0.63 0.21 1.11 -2.30 -0.25 0.00 0.00 175.29 174.68 1x0o n PRO 9 N -0.79 -0.05 -0.62 2.91 -0.02 -1.26 -4.74 135.00 130.43 1x0o n PRO 9 Ca -0.05 0.06 -0.12 0.00 -2.02 0.00 0.00 63.50 61.37 1x0o n PRO 9 Cb 0.62 -2.36 0.07 0.00 -0.02 0.00 0.00 33.50 31.82 1x0o n PRO 9 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1x0o n THR 10 N -3.59 2.14 -3.81 3.45 -2.24 -1.26 -4.04 114.28 104.92 1x0o n THR 10 Ca 0.12 -1.00 -0.14 0.00 -2.27 0.00 0.00 64.05 60.76 1x0o n THR 10 Cb 0.51 -0.86 -0.15 0.00 -2.10 0.00 0.00 70.33 67.73 1x0o n THR 10 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1x0o s GLU 11 N -1.55 -0.01 0.00 -0.78 2.12 -1.26 -1.95 118.70 115.27 1x0o s GLU 11 Ca 0.27 0.12 0.00 0.00 0.36 0.00 0.00 54.97 55.72 1x0o s GLU 11 Cb 0.22 -0.14 -0.00 0.00 0.26 0.00 0.00 34.13 34.47 1x0o s GLU 11 CO 0.04 -0.10 -0.01 -0.59 -0.54 0.00 0.00 175.26 174.06 1x0o s PHE 12 N 0.62 0.12 -0.03 5.30 -0.71 -0.86 -4.80 117.98 117.62 1x0o s PHE 12 Ca -0.05 -0.09 -0.15 0.00 -1.04 0.00 0.00 56.93 55.60 1x0o s PHE 12 Cb -0.07 -0.08 -0.05 0.00 -1.21 0.00 0.00 43.02 41.61 1x0o s PHE 12 CO -0.02 -0.03 0.40 0.42 -1.34 0.00 0.00 175.22 174.65 1x0o s ILE 13 N -0.24 5.08 -0.00 -4.49 1.01 -1.26 -0.80 121.20 120.49 1x0o s ILE 13 Ca -0.02 0.81 -0.05 0.00 0.00 0.00 0.00 60.65 61.39 1x0o s ILE 13 Cb -0.02 -3.71 -0.00 0.00 0.01 0.00 0.00 42.46 38.75 1x0o s ILE 13 CO -0.00 0.54 0.11 -0.94 0.00 0.00 0.00 174.94 174.64 1x0o s SER 14 N -0.79 0.03 -0.22 3.58 1.04 -0.16 -2.02 113.70 115.17 1x0o s SER 14 Ca 0.23 -0.17 -0.04 0.00 0.48 0.00 0.00 55.95 56.45 1x0o s SER 14 Cb -0.16 0.20 -0.01 0.00 0.10 0.00 0.00 66.02 66.14 1x0o s SER 14 CO 0.12 -0.29 -0.02 -0.13 0.98 0.00 0.00 173.24 173.90 1x0o s ARG 15 N -1.10 3.47 0.08 4.02 0.52 1.00 -0.07 118.95 126.86 1x0o s ARG 15 Ca -0.12 -0.58 0.02 0.00 -0.52 0.00 0.00 55.73 54.52 1x0o s ARG 15 Cb -0.07 -3.06 -0.04 0.00 0.52 0.00 0.00 34.95 32.31 1x0o s ARG 15 CO 0.01 -0.14 -0.07 -3.38 0.02 0.00 0.00 175.30 171.74 1x0o s HIS 16 N 1.36 0.83 0.51 -0.53 -3.43 0.46 -1.03 115.29 113.46 1x0o s HIS 16 Ca 0.04 -0.83 -0.21 0.00 -0.80 0.00 0.00 55.06 53.27 1x0o s HIS 16 Cb -0.14 -0.49 -0.06 0.00 -1.43 0.00 0.00 32.58 30.46 1x0o s HIS 16 CO -0.01 -0.14 1.16 1.21 -2.00 0.00 0.00 174.74 174.96 1x0o s ASN 17 N -2.71 5.86 0.55 7.38 3.84 0.10 -1.60 114.94 128.35 1x0o s ASN 17 Ca 0.07 2.27 0.35 0.00 0.21 0.00 0.00 52.86 55.76 1x0o s ASN 17 Cb 0.02 -2.59 1.52 0.00 -0.55 0.00 0.00 41.25 39.65 1x0o s ASN 17 CO -0.04 -1.13 1.83 0.16 -2.79 0.00 0.00 177.10 175.13 1x0o h ILE 18 N 1.47 0.44 -0.00 -5.21 3.07 -1.95 0.82 117.51 116.16 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 0.45 0.00 0.00 -0.27 0.00 0.00 36.82 38.26 1x0o h ILE 18 CO 0.58 0.00 -0.06 -0.62 -1.05 0.00 0.00 178.15 177.00 1x0o n GLU 19 N -4.16 0.44 0.00 0.16 -0.58 -1.26 -4.86 120.64 110.37 1x0o n GLU 19 Ca 0.23 -0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.90 1x0o n GLU 19 Cb 1.14 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.52 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 1.32 1.21 3.67 0.62 0.00 0.28 -4.81 105.19 107.48 1x0o n GLY 20 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 4.77 -0.20 -0.61 -1.09 -0.99 -1.01 121.20 120.07 1x0o s ILE 21 Ca 0.00 1.94 -0.29 0.00 -2.23 0.00 0.00 60.65 60.06 1x0o s ILE 21 Cb 0.00 -4.27 -0.01 0.00 -1.58 0.00 0.00 42.46 36.60 1x0o s ILE 21 CO 0.00 -0.05 1.32 -0.36 -1.23 0.00 0.00 174.94 174.62 1x0o s PHE 22 N 2.46 2.70 -0.13 3.97 0.08 -1.08 0.03 117.98 126.01 1x0o s PHE 22 Ca 0.44 0.89 0.09 0.00 0.12 0.00 0.00 56.93 58.48 1x0o s PHE 22 Cb -0.17 -3.68 -0.14 0.00 -0.57 0.00 0.00 43.02 38.46 1x0o s PHE 22 CO 0.12 -1.91 0.01 2.41 -0.10 0.00 0.00 175.22 175.75 1x0o n THR 23 N 5.69 0.85 -3.70 0.64 -1.04 -1.07 -1.90 114.28 113.75 1x0o n THR 23 Ca 0.15 -0.49 -0.13 0.00 -2.04 0.00 0.00 64.05 61.53 1x0o n THR 23 Cb 0.45 -0.73 -0.14 0.00 -1.82 0.00 0.00 70.33 68.09 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 -2.30 -0.31 -0.01 -1.42 5.36 -0.20 -4.98 117.98 114.12 1x0o s PHE 24 Ca -0.08 0.77 0.01 0.00 -0.96 0.00 0.00 56.93 56.66 1x0o s PHE 24 Cb 0.04 -0.04 0.00 0.00 -0.34 0.00 0.00 43.02 42.69 1x0o s PHE 24 CO 0.48 -0.26 -0.02 0.54 -1.46 0.00 0.00 175.22 174.49 1x0o s VAL 25 N 1.71 0.24 0.50 3.12 0.11 -1.26 -0.00 120.40 124.81 1x0o s VAL 25 Ca -0.05 -0.08 -0.20 0.00 -2.93 0.00 0.00 61.98 58.71 1x0o s VAL 25 Cb -0.11 -0.23 -0.08 0.00 -1.53 0.00 0.00 36.38 34.43 1x0o s VAL 25 CO -0.08 0.09 1.08 -0.62 -3.33 0.00 0.00 175.10 172.24 1x0o s ASP 26 N 0.19 6.15 0.60 3.54 -1.08 -0.85 -4.68 116.67 120.53 1x0o s ASP 26 Ca -0.02 2.05 0.28 0.00 -0.52 0.00 0.00 52.55 54.35 1x0o s ASP 26 Cb -0.04 -2.57 1.38 0.00 -1.46 0.00 0.00 42.92 40.23 1x0o s ASP 26 CO -0.00 -0.92 1.79 0.45 0.52 0.00 0.00 175.17 177.00 1x0o h HIS 27 N 1.55 0.00 0.00 -5.34 3.86 -1.98 -1.46 115.15 111.78 1x0o h HIS 27 Ca -0.50 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.71 1x0o h HIS 27 Cb 1.24 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.71 1x0o h HIS 27 CO 0.55 0.00 0.00 0.54 0.86 0.00 0.00 177.93 179.88 1x0o n ARG 28 N -3.56 0.08 -0.22 2.45 1.74 -1.26 -2.30 116.66 113.59 1x0o n ARG 28 Ca 0.10 0.48 0.09 0.00 -0.77 0.00 0.00 57.85 57.76 1x0o n ARG 28 Cb 0.81 -1.72 0.37 0.00 -1.02 0.00 0.00 32.46 30.89 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 0.73 1.25 0.06 0.00 -1.51 -0.94 -0.79 116.25 115.04 1x0o h VAL 30 Ca 0.37 -0.99 -0.10 0.00 -1.23 0.00 0.00 66.70 64.75 1x0o h VAL 30 Cb 0.46 0.77 0.01 0.00 -2.13 0.00 0.00 31.29 30.40 1x0o h VAL 30 CO -0.14 0.36 -0.43 0.00 -1.23 0.00 0.00 177.57 176.13 1x0o h ALA 31 N 1.21 -0.03 -0.45 5.19 0.00 -1.65 0.71 119.26 124.23 1x0o h ALA 31 Ca 0.17 -0.59 0.09 0.00 0.00 0.00 0.00 54.91 54.58 1x0o h ALA 31 Cb 0.42 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.18 1x0o h ALA 31 CO 0.01 0.20 -0.12 1.15 0.00 0.00 0.00 179.25 180.49 1x0o h THR 32 N -0.60 0.53 0.00 0.00 2.02 -1.15 -3.40 112.91 110.31 1x0o h THR 32 Ca -0.07 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1x0o h THR 32 Cb 1.31 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 1x0o h THR 32 CO 0.08 0.00 -0.39 1.33 0.37 0.00 0.00 175.52 176.91 1x0o n VAL 33 N -5.34 0.00 0.00 3.16 0.24 -0.34 -4.98 118.33 111.06 1x0o n VAL 33 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 1x0o n VAL 33 Cb 0.25 -0.37 0.00 0.00 -1.47 0.00 0.00 33.84 32.25 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 1.53 1.14 3.76 7.63 0.00 0.24 0.22 105.19 119.71 1x0o n GLY 34 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.17 3.42 0.43 1.61 2.02 -1.25 -4.68 117.35 117.73 1x0o s TYR 35 Ca 0.00 1.57 -0.16 0.00 -0.37 0.00 0.00 57.07 58.11 1x0o s TYR 35 Cb 0.00 -3.41 -0.08 0.00 -0.40 0.00 0.00 41.96 38.06 1x0o s TYR 35 CO 0.00 -1.02 0.88 -0.65 -1.57 0.00 0.00 175.55 173.19 1x0o s GLN 36 N -1.26 3.98 0.23 -0.62 -1.52 -1.26 -1.84 119.66 117.36 1x0o s GLN 36 Ca 0.47 0.81 -0.12 0.00 -1.95 0.00 0.00 55.36 54.58 1x0o s GLN 36 Cb -0.34 -2.26 0.31 0.00 -0.22 0.00 0.00 33.01 30.49 1x0o s GLN 36 CO 0.43 -0.08 1.60 -1.35 -0.25 0.00 0.00 175.29 175.63 1x0o h PRO 37 N 1.46 -0.01 -0.31 2.91 0.11 -1.83 0.47 132.00 134.80 1x0o h PRO 37 Ca -0.48 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.70 1x0o h PRO 37 Cb 1.18 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.23 1x0o h PRO 37 CO 0.63 -0.01 -0.12 1.96 -0.21 0.00 0.00 178.00 180.24 1x0o h GLN 38 N -0.02 -0.06 -0.16 1.05 1.08 -1.92 -0.89 115.11 114.18 1x0o h GLN 38 Ca 0.36 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.54 1x0o h GLN 38 Cb 0.58 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.01 1x0o h GLN 38 CO -0.81 -0.04 -0.04 0.93 -0.95 0.00 0.00 178.83 177.92 1x0o h GLU 39 N -0.07 0.24 0.00 1.46 4.39 -1.32 -1.92 114.58 117.36 1x0o h GLU 39 Ca 0.16 -0.04 -0.18 0.00 0.34 0.00 0.00 59.36 59.64 1x0o h GLU 39 Cb 0.30 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.88 1x0o h GLU 39 CO -0.35 0.30 -0.99 1.25 -1.16 0.00 0.00 179.01 178.05 1x0o h LEU 40 N 0.23 0.00 -9.02 1.33 5.85 -0.48 -3.43 115.31 109.80 1x0o h LEU 40 Ca 0.05 0.00 -0.59 0.00 0.84 0.00 0.00 57.88 58.19 1x0o h LEU 40 Cb 0.23 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1x0o h LEU 40 CO 0.01 0.77 1.45 0.18 -0.34 0.00 0.00 178.44 180.51 1x0o n LEU 41 N -3.20 3.34 0.00 2.25 4.77 -0.41 -0.91 117.00 122.84 1x0o n LEU 41 Ca -0.03 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1x0o n LEU 41 Cb 0.87 -1.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.43 1x0o n LEU 41 CO 0.44 -0.55 0.00 0.61 -1.33 0.00 0.00 177.39 176.56 1x0o n GLY 42 N 5.60 2.32 3.84 -0.72 0.00 -0.80 -5.00 105.19 110.44 1x0o n GLY 42 Ca 0.29 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.24 3.72 0.27 1.61 -0.14 -0.09 -4.84 119.74 120.03 1x0o s LYS 43 Ca 0.00 0.09 -0.29 0.00 -1.36 0.00 0.00 55.97 54.41 1x0o s LYS 43 Cb 0.00 -3.23 -0.09 0.00 -1.68 0.00 0.00 37.83 32.82 1x0o s LYS 43 CO 0.00 0.68 1.05 1.21 -0.76 0.00 0.00 175.35 177.53 1x0o s ASN 44 N -0.86 7.37 0.57 2.83 3.84 -1.26 -2.63 114.94 124.79 1x0o s ASN 44 Ca 0.18 2.18 0.25 0.00 0.21 0.00 0.00 52.86 55.68 1x0o s ASN 44 Cb -0.14 -2.62 1.62 0.00 -0.55 0.00 0.00 41.25 39.56 1x0o s ASN 44 CO 0.07 -0.06 2.19 -0.29 -2.79 0.00 0.00 177.10 176.22 1x0o h ILE 45 N 3.10 0.67 0.00 -5.21 2.10 -1.39 -0.75 117.51 116.02 1x0o h ILE 45 Ca -0.46 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.48 1x0o h ILE 45 Cb 1.21 0.97 0.00 0.00 -1.09 0.00 0.00 36.82 37.90 1x0o h ILE 45 CO 0.67 0.00 0.00 1.62 -1.08 0.00 0.00 178.15 179.36 1x0o h VAL 46 N 0.00 0.00 -0.43 2.19 3.04 -1.87 -2.40 116.25 116.78 1x0o h VAL 46 Ca 0.02 -0.57 -0.07 0.00 -1.01 0.00 0.00 66.70 65.07 1x0o h VAL 46 Cb 0.11 1.53 -0.01 0.00 -2.01 0.00 0.00 31.29 30.91 1x0o h VAL 46 CO -0.00 0.00 -0.02 -0.33 -1.01 0.00 0.00 177.57 176.21 1x0o h GLU 47 N 0.00 0.77 -0.72 4.17 4.39 -1.51 -2.70 114.58 118.97 1x0o h GLU 47 Ca 0.00 -0.25 -0.18 0.00 0.34 0.00 0.00 59.36 59.27 1x0o h GLU 47 Cb 0.73 -0.06 -0.11 0.00 -0.10 0.00 0.00 28.75 29.21 1x0o h GLU 47 CO 0.00 0.85 0.23 1.19 -1.16 0.00 0.00 179.01 180.12 1x0o n PHE 48 N -4.39 2.42 -3.65 4.33 3.72 -1.15 -4.89 117.46 113.85 1x0o n PHE 48 Ca -0.00 -1.13 -0.37 0.00 -0.05 0.00 0.00 57.45 55.90 1x0o n PHE 48 Cb 0.31 -0.67 -0.07 0.00 -0.94 0.00 0.00 39.48 38.12 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 2.76 2.41 0.31 0.00 -0.00 -0.96 -4.76 115.22 114.98 1x0o n HIS 50 Ca -0.15 0.13 0.14 0.00 0.46 0.00 0.00 57.72 58.30 1x0o n HIS 50 Cb 0.53 -2.61 0.73 0.00 -0.12 0.00 0.00 29.99 28.52 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 6.93 0.00 0.00 1.57 0.13 -1.94 0.16 132.00 138.86 1x0o h PRO 51 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1x0o h PRO 51 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1x0o h PRO 51 CO 0.92 0.00 -0.92 -0.85 -0.23 0.00 0.00 178.00 176.92 1x0o n GLU 52 N -2.76 0.26 0.00 0.86 0.28 -1.26 -3.99 120.64 114.03 1x0o n GLU 52 Ca -0.02 0.01 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1x0o n GLU 52 Cb 0.39 -1.60 0.00 0.00 1.43 0.00 0.00 31.44 31.66 1x0o n GLU 52 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1x0o n ASP 53 N -1.95 1.81 0.10 -1.84 5.75 0.47 -4.51 116.55 116.38 1x0o n ASP 53 Ca 0.02 -1.83 0.02 0.00 -0.01 0.00 0.00 54.79 52.99 1x0o n ASP 53 Cb 0.43 0.00 0.37 0.00 -1.03 0.00 0.00 41.12 40.89 1x0o n ASP 53 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 1x0o h GLN 54 N 0.00 0.28 -0.41 0.11 4.20 -1.39 -1.73 115.11 116.17 1x0o h GLN 54 Ca 0.00 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.61 1x0o h GLN 54 Cb 0.44 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 1x0o h GLN 54 CO 0.00 0.41 0.08 0.37 -0.67 0.00 0.00 178.83 179.02 1x0o h GLN 55 N 0.26 0.61 -0.14 1.46 5.75 -1.82 0.41 115.11 121.64 1x0o h GLN 55 Ca 0.05 -0.11 -0.01 0.00 -0.15 0.00 0.00 58.65 58.44 1x0o h GLN 55 Cb 0.38 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.82 1x0o h GLN 55 CO 0.02 0.57 0.06 -0.07 -2.65 0.00 0.00 178.83 176.76 1x0o h LEU 56 N 0.60 0.19 -0.88 -2.39 3.38 -1.62 0.53 115.31 115.12 1x0o h LEU 56 Ca 0.14 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1x0o h LEU 56 Cb 0.25 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 1x0o h LEU 56 CO -0.00 0.29 0.50 -0.07 0.09 0.00 0.00 178.44 179.24 1x0o h LEU 57 N 0.08 1.08 1.00 1.67 3.38 -1.16 0.46 115.31 121.82 1x0o h LEU 57 Ca 0.05 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1x0o h LEU 57 Cb 0.16 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 40.64 1x0o h LEU 57 CO -0.00 0.86 -0.48 0.03 0.09 0.00 0.00 178.44 178.93 1x0o h ARG 58 N 1.22 -1.29 -0.37 1.13 3.08 -0.58 -1.60 114.38 115.97 1x0o h ARG 58 Ca 0.31 0.09 -0.00 0.00 0.07 0.00 0.00 59.98 60.44 1x0o h ARG 58 Cb 0.00 0.29 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 1x0o h ARG 58 CO -0.05 -0.86 0.21 0.22 -1.07 0.00 0.00 179.97 178.42 1x0o h ASP 59 N -1.34 0.45 -0.41 7.04 3.58 -0.84 -2.35 116.42 122.55 1x0o h ASP 59 Ca -0.14 -0.07 -0.05 0.00 0.42 0.00 0.00 57.03 57.20 1x0o h ASP 59 Cb 1.03 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.95 1x0o h ASP 59 CO 0.22 0.39 0.07 0.77 -2.88 0.00 0.00 179.24 177.81 1x0o h SER 60 N 0.47 0.64 -0.92 2.28 4.64 -0.91 0.35 113.55 120.11 1x0o h SER 60 Ca 0.13 -0.25 -0.01 0.00 -0.47 0.00 0.00 61.79 61.18 1x0o h SER 60 Cb 0.03 -0.17 -0.04 0.00 -0.31 0.00 0.00 62.40 61.90 1x0o h SER 60 CO -0.02 0.73 0.52 -0.26 -0.87 0.00 0.00 176.83 176.92 1x0o h PHE 61 N 0.53 1.25 -0.60 4.77 0.04 -1.25 0.19 116.94 121.86 1x0o h PHE 61 Ca 0.12 -0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.79 1x0o h PHE 61 Cb 0.36 -0.40 -0.02 0.00 2.20 0.00 0.00 35.95 38.08 1x0o h PHE 61 CO 0.02 0.85 0.05 1.96 -0.60 0.00 0.00 178.31 180.60 1x0o h GLN 62 N 1.28 1.02 -0.28 1.51 1.08 -0.82 -2.42 115.11 116.48 1x0o h GLN 62 Ca 0.32 -0.30 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 1x0o h GLN 62 Cb 0.01 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.32 1x0o h GLN 62 CO -0.05 0.98 0.12 1.96 -0.95 0.00 0.00 178.83 180.89 1x0o h GLN 63 N 0.92 0.42 0.00 1.46 1.08 0.59 -1.96 115.11 117.62 1x0o h GLN 63 Ca 0.18 -0.07 -0.04 0.00 -1.45 0.00 0.00 58.65 57.26 1x0o h GLN 63 Cb 0.49 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.85 1x0o h GLN 63 CO 0.02 0.43 -0.20 -0.24 -0.95 0.00 0.00 178.83 177.89 1x0o h VAL 64 N 0.31 0.66 -0.11 -0.54 3.04 -0.61 0.83 116.25 119.83 1x0o h VAL 64 Ca 0.09 -0.87 -0.12 0.00 -1.01 0.00 0.00 66.70 64.80 1x0o h VAL 64 Cb 0.17 1.55 -0.01 0.00 -2.01 0.00 0.00 31.29 30.99 1x0o h VAL 64 CO -0.01 0.20 -0.46 0.58 -1.01 0.00 0.00 177.57 176.87 1x0o h VAL 65 N 0.00 1.33 0.09 1.51 2.07 -1.03 -2.83 116.25 117.39 1x0o h VAL 65 Ca -0.00 -1.64 -0.26 0.00 0.82 0.00 0.00 66.70 65.62 1x0o h VAL 65 Cb 0.54 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 1x0o h VAL 65 CO 0.03 0.49 -1.18 0.11 0.02 0.00 0.00 177.57 177.03 1x0o h LYS 66 N 0.22 0.20 -1.02 1.57 1.57 -0.31 -3.29 116.57 115.50 1x0o h LYS 66 Ca 0.01 -0.34 -0.16 0.00 -1.87 0.00 0.00 60.65 58.30 1x0o h LYS 66 Cb 0.90 0.13 -0.09 0.00 0.08 0.00 0.00 32.23 33.24 1x0o h LYS 66 CO 0.07 1.16 0.20 1.28 -0.57 0.00 0.00 179.45 181.59 1x0o n LEU 67 N -3.48 4.20 -1.72 2.94 4.77 0.27 -4.96 117.00 119.02 1x0o n LEU 67 Ca -0.06 -2.17 -0.23 0.00 -0.03 0.00 0.00 56.01 53.52 1x0o n LEU 67 Cb 1.00 -0.62 -0.05 0.00 -2.33 0.00 0.00 43.42 41.42 1x0o n LEU 67 CO 0.52 0.68 0.72 0.29 -1.33 0.00 0.00 177.39 178.28 1x0o n LYS 68 N 0.03 0.00 0.00 3.23 5.02 -1.09 0.01 118.16 125.36 1x0o n LYS 68 Ca 0.18 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 1x0o n LYS 68 Cb 0.84 -0.60 0.00 0.00 -0.02 0.00 0.00 35.03 35.25 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 2.97 2.90 3.80 0.72 0.00 -1.25 -5.02 105.19 109.32 1x0o n GLY 69 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.54 4.14 -0.10 1.61 -1.52 0.10 -4.88 119.66 118.48 1x0o s GLN 70 Ca 0.00 0.59 -0.30 0.00 -1.95 0.00 0.00 55.36 53.71 1x0o s GLN 70 Cb 0.00 -3.27 -0.02 0.00 -0.22 0.00 0.00 33.01 29.50 1x0o s GLN 70 CO 0.00 0.56 1.12 0.54 -0.25 0.00 0.00 175.29 177.26 1x0o s VAL 71 N -0.75 4.50 -0.20 1.09 0.11 -1.26 -4.58 120.40 119.30 1x0o s VAL 71 Ca 0.27 1.80 0.01 0.00 -2.93 0.00 0.00 61.98 61.12 1x0o s VAL 71 Cb -0.18 -4.15 0.04 0.00 -1.53 0.00 0.00 36.38 30.56 1x0o s VAL 71 CO 0.16 -0.02 -0.09 -0.22 -3.33 0.00 0.00 175.10 171.59 1x0o s LEU 72 N 2.31 2.24 -0.27 2.54 2.96 -0.66 -4.90 118.68 122.90 1x0o s LEU 72 Ca 0.52 -0.89 -0.11 0.00 -0.22 0.00 0.00 54.13 53.43 1x0o s LEU 72 Cb -0.21 -1.20 -0.05 0.00 0.50 0.00 0.00 46.19 45.23 1x0o s LEU 72 CO 0.19 -0.16 0.19 -0.44 -1.32 0.00 0.00 176.35 174.81 1x0o s SER 73 N 1.42 6.05 -0.04 3.68 0.01 -1.26 0.20 113.70 123.76 1x0o s SER 73 Ca -0.01 0.03 0.06 0.00 1.31 0.00 0.00 55.95 57.34 1x0o s SER 73 Cb -0.16 -2.12 -0.02 0.00 0.21 0.00 0.00 66.02 63.93 1x0o s SER 73 CO -0.08 -0.03 -0.22 0.54 0.41 0.00 0.00 173.24 173.86 1x0o s VAL 74 N 1.60 2.37 -0.17 3.43 0.11 0.70 -4.92 120.40 123.51 1x0o s VAL 74 Ca 0.07 -0.97 -0.06 0.00 -2.93 0.00 0.00 61.98 58.09 1x0o s VAL 74 Cb -0.15 -1.87 -0.03 0.00 -1.53 0.00 0.00 36.38 32.79 1x0o s VAL 74 CO 0.09 0.58 0.01 -0.32 -3.33 0.00 0.00 175.10 172.13 1x0o s MET 75 N -0.47 3.82 0.37 1.54 1.75 -1.26 -0.30 119.30 124.74 1x0o s MET 75 Ca 0.06 -0.43 -0.08 0.00 -1.25 0.00 0.00 55.69 53.98 1x0o s MET 75 Cb -0.11 -3.07 0.03 0.00 2.84 0.00 0.00 34.83 34.51 1x0o s MET 75 CO 0.01 0.24 0.62 -0.59 -0.65 0.00 0.00 175.02 174.66 1x0o s PHE 76 N 0.40 0.64 -0.36 4.11 -0.71 -0.56 -4.91 117.98 116.58 1x0o s PHE 76 Ca -0.00 -1.07 -0.10 0.00 -1.04 0.00 0.00 56.93 54.72 1x0o s PHE 76 Cb -0.13 0.35 0.03 0.00 -1.21 0.00 0.00 43.02 42.05 1x0o s PHE 76 CO 0.02 -1.35 0.18 1.03 -1.34 0.00 0.00 175.22 173.75 1x0o s ARG 77 N -2.68 2.80 0.09 1.99 0.52 -1.26 -0.99 118.95 119.42 1x0o s ARG 77 Ca 0.24 -1.09 -0.25 0.00 -0.52 0.00 0.00 55.73 54.11 1x0o s ARG 77 Cb -0.03 -3.65 -0.06 0.00 0.52 0.00 0.00 34.95 31.73 1x0o s ARG 77 CO 0.16 -0.68 0.75 0.12 0.02 0.00 0.00 175.30 175.68 1x0o s PHE 78 N 1.52 3.80 -0.55 -0.53 2.19 0.29 -2.27 117.98 122.42 1x0o s PHE 78 Ca 0.01 1.51 -0.26 0.00 0.33 0.00 0.00 56.93 58.52 1x0o s PHE 78 Cb -0.19 -2.78 0.03 0.00 -1.31 0.00 0.00 43.02 38.77 1x0o s PHE 78 CO 0.06 0.38 1.06 0.50 1.83 0.00 0.00 175.22 179.04 1x0o s ARG 79 N -0.49 3.46 1.08 10.12 3.52 -0.05 -1.91 118.95 134.67 1x0o s ARG 79 Ca 0.37 0.05 -0.16 0.00 -0.13 0.00 0.00 55.73 55.86 1x0o s ARG 79 Cb -0.21 -4.01 0.12 0.00 -1.56 0.00 0.00 34.95 29.29 1x0o s ARG 79 CO 0.24 -1.53 0.34 0.45 -0.81 0.00 0.00 175.30 173.99 1x0o n SER 80 N 7.86 -2.04 0.02 -2.12 2.88 -0.09 -4.78 113.62 115.34 1x0o n SER 80 Ca 0.06 0.02 0.05 0.00 -1.33 0.00 0.00 58.87 57.66 1x0o n SER 80 Cb 0.48 -1.10 0.20 0.00 -0.75 0.00 0.00 64.21 63.05 1x0o n SER 80 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1x0o n LYS 81 N -2.59 0.02 0.00 -1.46 3.00 0.13 0.33 118.16 117.59 1x0o n LYS 81 Ca 0.03 0.39 0.14 0.00 -0.00 0.00 0.00 58.31 58.86 1x0o n LYS 81 Cb 0.58 -1.55 0.44 0.00 0.00 0.00 0.00 35.03 34.51 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 -1.58 1.49 -1.56 3.14 3.02 -1.26 -4.90 115.26 113.61 1x0o n ASN 82 Ca 0.02 -1.37 -0.15 0.00 -0.03 0.00 0.00 54.58 53.05 1x0o n ASN 82 Cb 0.09 0.05 -0.02 0.00 -0.61 0.00 0.00 39.78 39.29 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 0.03 -1.15 -2.85 3.52 1.13 0.15 -5.01 117.38 113.21 1x0o n GLN 83 Ca 0.17 0.79 -0.24 0.00 -1.94 0.00 0.00 57.00 55.77 1x0o n GLN 83 Cb 0.37 -5.06 0.01 0.00 0.11 0.00 0.00 30.24 25.67 1x0o n GLN 83 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1x0o s GLU 84 N -4.40 3.08 -0.59 -1.09 0.41 -1.25 -4.84 118.70 110.01 1x0o s GLU 84 Ca 0.00 -0.34 0.02 0.00 -0.41 0.00 0.00 54.97 54.24 1x0o s GLU 84 Cb 0.00 -2.49 0.15 0.00 -1.78 0.00 0.00 34.13 30.01 1x0o s GLU 84 CO 0.00 -0.34 0.36 -1.58 -0.49 0.00 0.00 175.26 173.20 1x0o s TRP 85 N -2.65 3.31 0.51 1.61 0.52 -1.26 -0.92 118.94 120.07 1x0o s TRP 85 Ca 0.49 -3.09 0.02 0.00 0.02 0.00 0.00 56.10 53.54 1x0o s TRP 85 Cb -0.10 -2.91 0.02 0.00 -1.15 0.00 0.00 33.47 29.33 1x0o s TRP 85 CO 0.40 -0.74 0.73 -0.48 0.02 0.00 0.00 176.95 176.88 1x0o s LEU 86 N -0.45 3.41 -0.07 2.99 0.05 -0.80 -4.44 118.68 119.36 1x0o s LEU 86 Ca 0.19 0.02 -0.21 0.00 0.05 0.00 0.00 54.13 54.17 1x0o s LEU 86 Cb -0.21 -2.92 -0.04 0.00 -2.05 0.00 0.00 46.19 40.97 1x0o s LEU 86 CO -0.03 -0.99 0.61 0.26 -0.55 0.00 0.00 176.35 175.64 1x0o s TRP 87 N -2.67 3.58 -0.04 3.48 0.52 -0.42 -0.55 118.94 122.85 1x0o s TRP 87 Ca 0.55 1.13 -0.02 0.00 0.02 0.00 0.00 56.10 57.78 1x0o s TRP 87 Cb -0.10 -2.69 0.03 0.00 -1.15 0.00 0.00 33.47 29.56 1x0o s TRP 87 CO 0.38 0.16 0.08 1.41 0.02 0.00 0.00 176.95 179.00 1x0o s MET 88 N 0.55 0.04 -0.34 4.98 1.75 -0.16 -1.87 119.30 124.25 1x0o s MET 88 Ca 0.33 0.23 -0.08 0.00 -1.25 0.00 0.00 55.69 54.92 1x0o s MET 88 Cb -0.17 -0.15 0.03 0.00 2.84 0.00 0.00 34.83 37.37 1x0o s MET 88 CO 0.15 -0.13 0.13 0.50 -0.65 0.00 0.00 175.02 175.03 1x0o s ARG 89 N 0.85 2.81 -0.16 4.11 3.52 -0.19 -1.50 118.95 128.39 1x0o s ARG 89 Ca -0.07 -1.07 -0.13 0.00 -0.13 0.00 0.00 55.73 54.33 1x0o s ARG 89 Cb -0.09 -3.53 -0.05 0.00 -1.56 0.00 0.00 34.95 29.72 1x0o s ARG 89 CO -0.03 -0.62 0.28 0.99 -0.81 0.00 0.00 175.30 175.10 1x0o s THR 90 N 1.48 5.32 -0.17 4.11 2.01 0.59 -2.29 115.64 126.67 1x0o s THR 90 Ca 0.01 0.51 -0.15 0.00 0.31 0.00 0.00 61.69 62.37 1x0o s THR 90 Cb -0.19 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.66 1x0o s THR 90 CO 0.04 0.40 0.35 -0.44 -0.69 0.00 0.00 174.62 174.28 1x0o s SER 91 N 0.42 6.45 0.19 3.53 0.01 0.80 -0.21 113.70 124.88 1x0o s SER 91 Ca 0.16 0.52 0.05 0.00 1.31 0.00 0.00 55.95 57.99 1x0o s SER 91 Cb -0.13 -2.21 -0.04 0.00 0.21 0.00 0.00 66.02 63.86 1x0o s SER 91 CO 0.03 0.02 0.23 -0.55 0.41 0.00 0.00 173.24 173.38 1x0o s SER 92 N 0.73 5.89 -0.17 2.44 0.15 0.13 -0.41 113.70 122.47 1x0o s SER 92 Ca 0.18 -0.03 -0.12 0.00 0.70 0.00 0.00 55.95 56.68 1x0o s SER 92 Cb -0.14 -1.64 0.05 0.00 -1.71 0.00 0.00 66.02 62.58 1x0o s SER 92 CO 0.06 0.02 0.43 0.12 1.20 0.00 0.00 173.24 175.07 1x0o s PHE 93 N -1.85 -0.54 -0.44 3.44 5.36 -0.52 -1.65 117.98 121.79 1x0o s PHE 93 Ca 0.33 1.23 -0.13 0.00 -0.96 0.00 0.00 56.93 57.40 1x0o s PHE 93 Cb -0.10 0.22 0.06 0.00 -0.34 0.00 0.00 43.02 42.86 1x0o s PHE 93 CO 0.26 -0.28 0.32 0.95 -1.46 0.00 0.00 175.22 175.01 1x0o s THR 94 N 0.78 4.87 -0.30 0.12 -4.23 -1.26 0.08 115.64 115.70 1x0o s THR 94 Ca -0.04 -1.08 -0.29 0.00 -1.18 0.00 0.00 61.69 59.10 1x0o s THR 94 Cb -0.05 -3.88 -0.02 0.00 1.34 0.00 0.00 72.50 69.89 1x0o s THR 94 CO -0.06 -0.48 1.66 0.12 -0.54 0.00 0.00 174.62 175.32 1x0o s PHE 95 N 1.58 2.03 -0.07 3.99 2.19 -0.82 -3.89 117.98 122.98 1x0o s PHE 95 Ca 0.04 0.60 -0.07 0.00 0.33 0.00 0.00 56.93 57.83 1x0o s PHE 95 Cb -0.23 -4.11 -0.04 0.00 -1.31 0.00 0.00 43.02 37.34 1x0o s PHE 95 CO 0.06 -2.78 0.18 -0.65 1.83 0.00 0.00 175.22 173.86 1x0o s GLN 96 N 5.15 3.49 -0.18 10.12 -0.21 -1.25 -0.68 119.66 136.10 1x0o s GLN 96 Ca 0.73 -0.12 -0.29 0.00 0.02 0.00 0.00 55.36 55.71 1x0o s GLN 96 Cb -0.22 -3.16 -0.04 0.00 1.00 0.00 0.00 33.01 30.59 1x0o s GLN 96 CO 0.32 0.74 1.71 1.21 -2.12 0.00 0.00 175.29 177.15 1x0o s ASN 97 N -1.29 6.32 0.00 5.90 3.84 0.13 -4.87 114.94 124.98 1x0o s ASN 97 Ca 0.19 1.81 0.03 0.00 0.21 0.00 0.00 52.86 55.11 1x0o s ASN 97 Cb -0.13 -2.53 0.16 0.00 -0.55 0.00 0.00 41.25 38.20 1x0o s ASN 97 CO 0.09 -1.28 0.96 -0.81 -2.79 0.00 0.00 177.10 173.27 1x0o n PRO 98 N 7.71 0.04 0.00 0.43 -0.04 -1.26 0.55 135.00 142.43 1x0o n PRO 98 Ca 0.20 0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.95 1x0o n PRO 98 Cb 0.45 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 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 -1.33 0.00 -0.14 0.54 4.01 -1.26 -4.78 117.16 114.20 1x0o n TYR 99 Ca 0.01 -0.17 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 1x0o n TYR 99 Cb 0.03 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 1x0o n TYR 99 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1x0o n SER 100 N -0.17 0.00 0.00 7.72 2.88 -0.45 -5.02 113.62 118.58 1x0o n SER 100 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1x0o n SER 100 Cb 0.16 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.62 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 0.00 -0.56 -4.76 -3.46 9.92 0.19 -4.93 116.55 112.95 1x0o n ASP 101 Ca 0.00 0.00 -0.35 0.00 -0.53 0.00 0.00 54.79 53.91 1x0o n ASP 101 Cb 0.00 -1.53 0.03 0.00 -0.64 0.00 0.00 41.12 38.98 1x0o n ASP 101 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1x0o s GLU 102 N -0.64 2.95 -0.35 -1.24 2.02 -1.26 -4.59 118.70 115.59 1x0o s GLU 102 Ca 0.00 1.64 -0.14 0.00 0.02 0.00 0.00 54.97 56.49 1x0o s GLU 102 Cb 0.00 -1.95 -0.01 0.00 0.10 0.00 0.00 34.13 32.27 1x0o s GLU 102 CO 0.00 -1.18 0.29 0.42 0.02 0.00 0.00 175.26 174.81 1x0o s ILE 103 N -1.89 5.24 0.01 -1.63 1.01 -1.26 0.22 121.20 122.90 1x0o s ILE 103 Ca 0.73 -0.14 -0.23 0.00 0.00 0.00 0.00 60.65 61.01 1x0o s ILE 103 Cb -0.26 -3.77 -0.18 0.00 0.01 0.00 0.00 42.46 38.27 1x0o s ILE 103 CO 0.35 -0.06 1.31 -0.33 0.00 0.00 0.00 174.94 176.20 1x0o h GLU 104 N 8.49 0.16 -1.92 2.79 4.39 -1.26 -3.49 114.58 123.74 1x0o h GLU 104 Ca -0.30 -0.08 0.28 0.00 0.34 0.00 0.00 59.36 59.59 1x0o h GLU 104 Cb 1.15 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.71 1x0o h GLU 104 CO 0.66 0.59 0.74 1.52 -1.16 0.00 0.00 179.01 181.37 1x0o s TYR 105 N -4.30 -0.03 -0.08 4.33 -0.85 -1.26 -5.03 117.35 110.13 1x0o s TYR 105 Ca -0.15 -0.17 -0.09 0.00 -0.52 0.00 0.00 57.07 56.14 1x0o s TYR 105 Cb 0.03 0.59 -0.05 0.00 0.38 0.00 0.00 41.96 42.92 1x0o s TYR 105 CO 0.71 -0.48 0.22 0.42 -1.52 0.00 0.00 175.55 174.90 1x0o s ILE 106 N -2.46 5.36 -0.33 -3.49 1.01 -0.63 -1.94 121.20 118.73 1x0o s ILE 106 Ca 0.18 0.39 -0.03 0.00 0.00 0.00 0.00 60.65 61.19 1x0o s ILE 106 Cb 0.01 -3.50 0.05 0.00 0.01 0.00 0.00 42.46 39.04 1x0o s ILE 106 CO -0.01 0.60 0.06 -0.63 0.00 0.00 0.00 174.94 174.96 1x0o s ILE 107 N -1.06 3.29 -0.28 2.92 1.01 0.11 -0.40 121.20 126.79 1x0o s ILE 107 Ca 0.18 -1.37 -0.08 0.00 0.00 0.00 0.00 60.65 59.38 1x0o s ILE 107 Cb -0.13 -2.92 -0.01 0.00 0.01 0.00 0.00 42.46 39.40 1x0o s ILE 107 CO 0.07 -0.20 0.09 0.00 0.00 0.00 0.00 174.94 174.91 1x0o s THR 109 N 1.58 5.12 -0.37 0.00 2.01 0.46 -0.99 115.64 123.44 1x0o s THR 109 Ca 0.05 0.76 -0.10 0.00 0.31 0.00 0.00 61.69 62.70 1x0o s THR 109 Cb -0.16 -3.78 0.03 0.00 0.01 0.00 0.00 72.50 68.60 1x0o s THR 109 CO 0.04 0.12 0.20 0.20 -0.69 0.00 0.00 174.62 174.49 1x0o s ASN 110 N 1.54 5.69 -0.33 3.53 0.01 0.02 -0.14 114.94 125.25 1x0o s ASN 110 Ca 0.19 -1.00 -0.10 0.00 -0.71 0.00 0.00 52.86 51.23 1x0o s ASN 110 Cb -0.16 -2.01 0.00 0.00 0.41 0.00 0.00 41.25 39.50 1x0o s ASN 110 CO 0.09 -0.38 0.18 -0.89 -1.51 0.00 0.00 177.10 174.60 1x0o s THR 111 N 1.54 4.68 -0.39 1.60 2.01 -0.97 -2.02 115.64 122.08 1x0o s THR 111 Ca 0.02 -0.52 -0.29 0.00 0.31 0.00 0.00 61.69 61.20 1x0o s THR 111 Cb -0.19 -3.45 0.01 0.00 0.01 0.00 0.00 72.50 68.87 1x0o s THR 111 CO 0.06 -0.03 1.43 0.21 -0.69 0.00 0.00 174.62 175.60 1x0o s ASN 112 N 1.61 6.34 0.00 3.53 3.04 -0.82 -1.02 114.94 127.62 1x0o s ASN 112 Ca 0.04 0.90 0.00 0.00 0.04 0.00 0.00 52.86 53.84 1x0o s ASN 112 Cb -0.18 -2.54 0.00 0.00 -1.54 0.00 0.00 41.25 36.99 1x0o s ASN 112 CO 0.07 -1.42 0.00 1.33 -3.04 0.00 0.00 177.10 174.04 1x0o n VAL 113 N 7.01 0.00 -2.59 -5.21 0.24 -0.78 -4.96 118.33 112.04 1x0o n VAL 113 Ca 0.17 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 62.23 1x0o n VAL 113 Cb 0.48 0.00 0.03 0.00 -1.47 0.00 0.00 33.84 32.88 1x0o n VAL 113 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1x0o s LYS 114 N 0.79 2.72 0.06 7.34 -0.14 -1.25 -4.94 119.74 124.32 1x0o s LYS 114 Ca 0.00 -0.40 0.08 0.00 -1.36 0.00 0.00 55.97 54.30 1x0o s LYS 114 Cb 0.00 -2.39 -0.03 0.00 -1.68 0.00 0.00 37.83 33.73 1x0o s LYS 114 CO 0.00 -0.69 -0.22 1.21 -0.76 0.00 0.00 175.35 174.89 1x0o s ASN 115 N -4.35 3.51 -0.09 2.83 3.84 -1.26 -1.30 114.94 118.12 1x0o s ASN 115 Ca 0.54 -0.53 0.03 0.00 0.21 0.00 0.00 52.86 53.11 1x0o s ASN 115 Cb -0.10 -0.44 -0.25 0.00 -0.55 0.00 0.00 41.25 39.91 1x0o s ASN 115 CO 0.41 0.24 0.49 -0.24 -2.79 0.00 0.00 177.10 175.22 1x0o n SER 116 N 1.51 1.51 -2.00 -4.21 2.88 -1.26 -4.76 113.62 107.29 1x0o n SER 116 Ca -0.17 0.30 -0.02 0.00 -1.33 0.00 0.00 58.87 57.65 1x0o n SER 116 Cb 0.52 -0.46 0.06 0.00 -0.75 0.00 0.00 64.21 63.58 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 -3.27 -0.99 -2.17 -3.46 3.41 -1.26 -4.98 113.62 100.90 1x0o n SER 117 Ca -0.25 -1.78 -0.02 0.00 -0.26 0.00 0.00 58.87 56.56 1x0o n SER 117 Cb 1.05 0.43 0.04 0.00 -0.26 0.00 0.00 64.21 65.48 1x0o n SER 117 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1x0o n GLN 118 N -0.87 0.51 0.00 4.33 -0.06 -1.26 -5.09 117.38 114.95 1x0o n GLN 118 Ca -0.15 -0.64 0.14 0.00 -2.00 0.00 0.00 57.00 54.36 1x0o n GLN 118 Cb 0.73 0.11 0.61 0.00 -4.06 0.00 0.00 30.24 27.63 1x0o n GLN 118 CO 0.00 0.00 0.00 -0.85 -0.20 0.00 0.00 177.06 176.01