#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 -2.46 0.00 4.61 0.00 -1.26 -4.96 120.51 116.44 1x0o n ALA 2 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1x0o n ALA 2 Cb 0.00 -3.96 0.00 0.00 0.00 0.00 0.00 19.45 15.49 1x0o n ALA 2 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1x0o n MET 3 N -4.10 0.00 0.00 0.00 1.56 -1.26 -4.98 117.12 108.34 1x0o n MET 3 Ca -0.12 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.31 1x0o n MET 3 Cb 0.61 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.98 1x0o n MET 3 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 1x0o n ASP 4 N 0.00 0.00 -3.30 6.12 9.92 -1.26 -4.56 116.55 123.47 1x0o n ASP 4 Ca 0.00 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.13 1x0o n ASP 4 Cb 0.00 0.00 0.03 0.00 -0.64 0.00 0.00 41.12 40.51 1x0o n ASP 4 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1x0o n ASN 5 N 1.24 -6.73 0.00 -2.24 3.02 -1.26 -1.73 115.26 107.56 1x0o n ASN 5 Ca 0.00 -0.52 0.00 0.00 -0.03 0.00 0.00 54.58 54.03 1x0o n ASN 5 Cb 0.00 -4.60 0.00 0.00 -0.61 0.00 0.00 39.78 34.57 1x0o n ASN 5 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 1x0o n VAL 6 N -2.74 0.00 -1.06 2.41 3.14 -1.26 -4.52 118.33 114.30 1x0o n VAL 6 Ca -0.07 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.31 1x0o n VAL 6 Cb 0.57 -0.44 0.00 0.00 -1.06 0.00 0.00 33.84 32.91 1x0o n VAL 6 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1x0o s GLN 8 N -2.27 1.81 0.93 0.00 -1.52 -1.23 -5.11 119.66 112.27 1x0o s GLN 8 Ca 0.00 -1.82 -0.11 0.00 -1.95 0.00 0.00 55.36 51.48 1x0o s GLN 8 Cb 0.00 -1.78 0.14 0.00 -0.22 0.00 0.00 33.01 31.15 1x0o s GLN 8 CO 0.00 0.23 1.03 -2.30 -0.25 0.00 0.00 175.29 174.00 1x0o n PRO 9 N -0.74 -0.51 -0.51 2.91 -0.02 -1.26 -4.75 135.00 130.12 1x0o n PRO 9 Ca -0.05 -0.09 -0.09 0.00 -2.02 0.00 0.00 63.50 61.26 1x0o n PRO 9 Cb 0.62 -2.29 0.09 0.00 -0.02 0.00 0.00 33.50 31.89 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 -4.19 1.86 -4.01 3.45 -2.24 -1.26 -4.06 114.28 103.83 1x0o n THR 10 Ca 0.11 -0.80 -0.16 0.00 -2.27 0.00 0.00 64.05 60.92 1x0o n THR 10 Cb 0.52 -0.73 -0.15 0.00 -2.10 0.00 0.00 70.33 67.87 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 -1.47 0.35 0.03 -0.78 2.12 -1.26 -1.44 118.70 116.24 1x0o s GLU 11 Ca 0.25 -0.03 0.02 0.00 0.36 0.00 0.00 54.97 55.56 1x0o s GLU 11 Cb 0.20 -0.43 -0.02 0.00 0.26 0.00 0.00 34.13 34.15 1x0o s GLU 11 CO 0.05 -0.04 -0.07 -0.59 -0.54 0.00 0.00 175.26 174.08 1x0o s PHE 12 N 0.52 0.56 -0.16 5.30 -0.71 -0.34 -4.83 117.98 118.32 1x0o s PHE 12 Ca -0.05 -0.40 -0.05 0.00 -1.04 0.00 0.00 56.93 55.39 1x0o s PHE 12 Cb -0.08 -0.35 -0.03 0.00 -1.21 0.00 0.00 43.02 41.35 1x0o s PHE 12 CO -0.01 -0.08 -0.00 0.42 -1.34 0.00 0.00 175.22 174.21 1x0o s ILE 13 N -1.07 4.20 0.04 -4.49 1.01 -1.26 -0.38 121.20 119.25 1x0o s ILE 13 Ca -0.08 -0.25 0.02 0.00 0.00 0.00 0.00 60.65 60.35 1x0o s ILE 13 Cb -0.08 -2.86 -0.02 0.00 0.01 0.00 0.00 42.46 39.51 1x0o s ILE 13 CO 0.00 0.48 -0.08 -0.44 0.00 0.00 0.00 174.94 174.91 1x0o s SER 14 N 0.34 0.83 -0.14 3.58 0.01 -0.27 -3.16 113.70 114.88 1x0o s SER 14 Ca -0.02 -0.54 -0.02 0.00 1.31 0.00 0.00 55.95 56.68 1x0o s SER 14 Cb -0.13 0.04 -0.02 0.00 0.21 0.00 0.00 66.02 66.11 1x0o s SER 14 CO 0.02 -0.20 -0.06 -0.13 0.41 0.00 0.00 173.24 173.27 1x0o s ARG 15 N -1.56 3.53 0.02 12.44 0.52 0.81 -0.16 118.95 134.55 1x0o s ARG 15 Ca -0.10 -0.56 -0.13 0.00 -0.52 0.00 0.00 55.73 54.41 1x0o s ARG 15 Cb -0.10 -2.82 0.02 0.00 0.52 0.00 0.00 34.95 32.57 1x0o s ARG 15 CO 0.00 0.27 0.29 -3.38 0.02 0.00 0.00 175.30 172.50 1x0o s HIS 16 N 0.27 -0.11 0.61 -0.53 -3.43 0.47 -1.14 115.29 111.43 1x0o s HIS 16 Ca -0.05 0.05 -0.14 0.00 -0.80 0.00 0.00 55.06 54.13 1x0o s HIS 16 Cb -0.14 0.08 -0.03 0.00 -1.43 0.00 0.00 32.58 31.05 1x0o s HIS 16 CO 0.04 -0.44 1.04 1.21 -2.00 0.00 0.00 174.74 174.58 1x0o s ASN 17 N -1.75 5.91 0.53 7.38 2.47 0.97 0.10 114.94 130.56 1x0o s ASN 17 Ca -0.09 1.65 0.33 0.00 0.42 0.00 0.00 52.86 55.17 1x0o s ASN 17 Cb -0.03 -2.51 1.49 0.00 -1.45 0.00 0.00 41.25 38.76 1x0o s ASN 17 CO -0.00 -1.08 1.86 0.16 -3.72 0.00 0.00 177.10 174.32 1x0o h ILE 18 N 0.09 0.51 -0.01 -5.21 3.07 -1.88 0.66 117.51 114.72 1x0o h ILE 18 Ca -0.45 -0.01 0.00 0.00 1.55 0.00 0.00 64.86 65.95 1x0o h ILE 18 Cb 1.20 0.49 0.00 0.00 -0.27 0.00 0.00 36.82 38.24 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 -4.25 1.09 0.00 0.16 1.02 -1.26 -4.82 120.64 112.57 1x0o n GLU 19 Ca 0.21 -0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 1x0o n GLU 19 Cb 1.05 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 31.09 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 0.90 0.82 3.59 0.62 0.00 0.23 -4.75 105.19 106.60 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 4.04 -0.05 -0.61 -1.09 -0.96 -2.10 121.20 118.43 1x0o s ILE 21 Ca 0.00 1.02 -0.30 0.00 -2.23 0.00 0.00 60.65 59.14 1x0o s ILE 21 Cb 0.00 -4.52 -0.04 0.00 -1.58 0.00 0.00 42.46 36.32 1x0o s ILE 21 CO 0.00 -1.05 1.40 -0.36 -1.23 0.00 0.00 174.94 173.70 1x0o s PHE 22 N 4.99 2.71 -0.11 3.97 0.40 -1.03 -0.02 117.98 128.89 1x0o s PHE 22 Ca 0.51 0.78 0.14 0.00 -0.60 0.00 0.00 56.93 57.75 1x0o s PHE 22 Cb -0.09 -3.65 -0.20 0.00 0.51 0.00 0.00 43.02 39.59 1x0o s PHE 22 CO 0.30 -2.44 0.12 0.25 0.70 0.00 0.00 175.22 174.15 1x0o n THR 23 N 4.98 0.76 -3.66 0.64 -2.24 -0.35 -0.86 114.28 113.55 1x0o n THR 23 Ca 0.14 -0.56 -0.21 0.00 -2.27 0.00 0.00 64.05 61.15 1x0o n THR 23 Cb 0.44 -0.42 -0.18 0.00 -2.10 0.00 0.00 70.33 68.07 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 -2.54 0.09 -0.05 4.78 5.36 -0.29 -4.98 117.98 120.35 1x0o s PHE 24 Ca -0.07 0.14 0.05 0.00 -0.96 0.00 0.00 56.93 56.09 1x0o s PHE 24 Cb 0.06 -0.53 -0.01 0.00 -0.34 0.00 0.00 43.02 42.21 1x0o s PHE 24 CO 0.62 -0.26 -0.20 0.08 -1.46 0.00 0.00 175.22 174.00 1x0o s VAL 25 N 2.16 1.62 0.39 3.12 1.01 -1.26 -0.13 120.40 127.31 1x0o s VAL 25 Ca 0.04 -0.83 -0.20 0.00 0.00 0.00 0.00 61.98 61.00 1x0o s VAL 25 Cb -0.13 -1.39 -0.10 0.00 0.00 0.00 0.00 36.38 34.76 1x0o s VAL 25 CO -0.04 0.46 0.88 -0.62 0.00 0.00 0.00 175.10 175.78 1x0o s ASP 26 N -0.04 6.92 0.66 3.32 -1.08 -1.19 -4.71 116.67 120.56 1x0o s ASP 26 Ca -0.03 1.58 0.41 0.00 -0.52 0.00 0.00 52.55 53.99 1x0o s ASP 26 Cb -0.12 -2.49 2.25 0.00 -1.46 0.00 0.00 42.92 41.10 1x0o s ASP 26 CO 0.03 -0.29 2.29 0.45 0.52 0.00 0.00 175.17 178.17 1x0o h HIS 27 N 2.13 0.00 0.00 -5.34 3.86 -1.96 -0.98 115.15 112.86 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 -3.11 0.11 -0.10 2.45 1.74 -1.26 -2.30 116.66 114.18 1x0o n ARG 28 Ca -0.03 0.23 0.02 0.00 -0.77 0.00 0.00 57.85 57.30 1x0o n ARG 28 Cb 0.13 -1.50 0.33 0.00 -1.02 0.00 0.00 32.46 30.40 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 0.78 1.23 0.00 0.00 -1.51 -0.79 0.12 116.25 116.07 1x0o h VAL 30 Ca 0.21 -1.06 -0.00 0.00 -1.23 0.00 0.00 66.70 64.62 1x0o h VAL 30 Cb -0.07 1.29 0.00 0.00 -2.13 0.00 0.00 31.29 30.38 1x0o h VAL 30 CO -0.04 0.33 -0.00 0.00 -1.23 0.00 0.00 177.57 176.63 1x0o h ALA 31 N 1.47 -0.00 0.30 5.19 0.00 -1.70 -1.38 119.26 123.14 1x0o h ALA 31 Ca 0.06 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1x0o h ALA 31 Cb 0.53 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1x0o h ALA 31 CO 0.04 -0.01 -0.31 1.15 0.00 0.00 0.00 179.25 180.11 1x0o h THR 32 N -0.98 0.35 0.00 0.00 2.02 -1.38 -3.38 112.91 109.54 1x0o h THR 32 Ca -0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 1x0o h THR 32 Cb 0.84 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 1x0o h THR 32 CO 0.00 0.00 -0.36 1.33 0.37 0.00 0.00 175.52 176.86 1x0o n VAL 33 N -5.43 0.58 0.00 3.16 0.24 0.38 -4.97 118.33 112.30 1x0o n VAL 33 Ca -0.09 -0.72 0.00 0.00 -2.04 0.00 0.00 64.34 61.49 1x0o n VAL 33 Cb 0.33 0.28 0.00 0.00 -1.47 0.00 0.00 33.84 32.98 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 -0.43 1.34 3.75 7.63 0.00 -0.52 -0.92 105.19 116.04 1x0o n GLY 34 Ca 0.05 0.00 -0.41 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 3.31 0.56 1.61 2.02 -1.24 -4.50 117.35 119.11 1x0o s TYR 35 Ca 0.00 1.41 -0.16 0.00 -0.37 0.00 0.00 57.07 57.95 1x0o s TYR 35 Cb 0.00 -3.52 -0.05 0.00 -0.40 0.00 0.00 41.96 37.99 1x0o s TYR 35 CO 0.00 -1.46 1.03 -0.65 -1.57 0.00 0.00 175.55 172.91 1x0o s GLN 36 N -0.85 3.54 0.23 -0.62 -1.52 -1.26 -1.36 119.66 117.81 1x0o s GLN 36 Ca 0.51 1.14 -0.14 0.00 -1.95 0.00 0.00 55.36 54.93 1x0o s GLN 36 Cb -0.36 -2.07 0.27 0.00 -0.22 0.00 0.00 33.01 30.64 1x0o s GLN 36 CO 0.42 -0.62 1.59 -1.35 -0.25 0.00 0.00 175.29 175.08 1x0o h PRO 37 N 0.67 -0.04 -0.53 2.91 0.10 -1.84 0.70 132.00 133.97 1x0o h PRO 37 Ca -0.47 0.00 0.01 0.00 0.10 0.00 0.00 66.00 65.64 1x0o h PRO 37 Cb 1.21 0.01 -0.03 0.00 0.10 0.00 0.00 31.00 32.29 1x0o h PRO 37 CO 0.59 -0.02 0.35 1.96 0.10 0.00 0.00 178.00 180.97 1x0o h GLN 38 N -0.04 0.68 -0.59 1.05 7.50 -1.92 -1.95 115.11 119.85 1x0o h GLN 38 Ca 0.34 -0.04 0.09 0.00 0.50 0.00 0.00 58.65 59.54 1x0o h GLN 38 Cb 0.57 -0.15 -0.04 0.00 0.05 0.00 0.00 27.48 27.91 1x0o h GLN 38 CO -0.79 0.45 0.39 0.93 -1.50 0.00 0.00 178.83 178.32 1x0o h GLU 39 N 0.70 0.43 0.00 1.46 4.39 -1.26 -1.70 114.58 118.61 1x0o h GLU 39 Ca 0.20 -0.03 -0.15 0.00 0.34 0.00 0.00 59.36 59.72 1x0o h GLU 39 Cb -0.06 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.46 1x0o h GLU 39 CO -0.05 0.29 -1.22 1.25 -1.16 0.00 0.00 179.01 178.12 1x0o h LEU 40 N 0.44 0.00 -9.26 1.33 5.85 -0.76 -3.43 115.31 109.48 1x0o h LEU 40 Ca 0.27 0.00 -0.55 0.00 0.84 0.00 0.00 57.88 58.44 1x0o h LEU 40 Cb 0.47 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.51 1x0o h LEU 40 CO -0.08 0.56 1.29 0.18 -0.34 0.00 0.00 178.44 180.05 1x0o n LEU 41 N -2.96 3.90 0.00 2.25 4.77 -0.64 -1.21 117.00 123.11 1x0o n LEU 41 Ca -0.07 0.75 0.00 0.00 -0.03 0.00 0.00 56.01 56.66 1x0o n LEU 41 Cb 0.82 -1.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.39 1x0o n LEU 41 CO 0.42 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1x0o n GLY 42 N 4.83 0.36 3.80 -0.72 0.00 -0.04 -4.96 105.19 108.46 1x0o n GLY 42 Ca 0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.89 3.03 0.26 1.61 -0.14 -0.35 -4.82 119.74 118.43 1x0o s LYS 43 Ca 0.00 -0.58 -0.26 0.00 -1.36 0.00 0.00 55.97 53.78 1x0o s LYS 43 Cb 0.00 -2.82 -0.09 0.00 -1.68 0.00 0.00 37.83 33.24 1x0o s LYS 43 CO 0.00 0.60 0.87 -0.80 -0.76 0.00 0.00 175.35 175.27 1x0o s ASN 44 N -2.14 7.36 0.53 2.83 -0.87 -1.25 -2.46 114.94 118.94 1x0o s ASN 44 Ca 0.27 1.75 0.24 0.00 -1.57 0.00 0.00 52.86 53.56 1x0o s ASN 44 Cb -0.12 -2.54 1.47 0.00 -0.02 0.00 0.00 41.25 40.04 1x0o s ASN 44 CO 0.20 0.05 2.13 -0.29 -2.57 0.00 0.00 177.10 176.61 1x0o h ILE 45 N 2.88 0.71 0.00 0.60 2.10 -1.72 -1.40 117.51 120.68 1x0o h ILE 45 Ca -0.47 -0.32 -0.06 0.00 1.08 0.00 0.00 64.86 65.09 1x0o h ILE 45 Cb 1.20 1.19 -0.01 0.00 -1.09 0.00 0.00 36.82 38.11 1x0o h ILE 45 CO 0.66 0.08 -0.30 1.62 -1.08 0.00 0.00 178.15 179.13 1x0o h VAL 46 N 0.00 0.59 0.00 2.19 3.04 -1.87 -2.78 116.25 117.42 1x0o h VAL 46 Ca -0.00 -1.50 0.00 0.00 -1.01 0.00 0.00 66.70 64.19 1x0o h VAL 46 Cb 0.19 2.03 0.00 0.00 -2.01 0.00 0.00 31.29 31.50 1x0o h VAL 46 CO 0.01 0.29 0.00 -0.33 -1.01 0.00 0.00 177.57 176.53 1x0o h GLU 47 N 0.00 0.00 -0.29 4.17 4.39 -1.64 -2.61 114.58 118.60 1x0o h GLU 47 Ca -0.00 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.48 1x0o h GLU 47 Cb 1.01 0.00 -0.18 0.00 -0.10 0.00 0.00 28.75 29.48 1x0o h GLU 47 CO 0.04 0.00 -0.64 1.19 -1.16 0.00 0.00 179.01 178.44 1x0o n PHE 48 N -3.01 1.06 -4.37 4.33 3.72 -1.07 -5.02 117.46 113.11 1x0o n PHE 48 Ca 0.01 -1.76 -0.33 0.00 -0.05 0.00 0.00 57.45 55.32 1x0o n PHE 48 Cb 0.33 -0.28 -0.09 0.00 -0.94 0.00 0.00 39.48 38.49 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 1.57 1.97 -0.32 0.00 -0.00 -0.15 -4.80 115.22 113.51 1x0o n HIS 50 Ca -0.15 0.43 0.30 0.00 0.46 0.00 0.00 57.72 58.75 1x0o n HIS 50 Cb 0.53 -2.49 0.64 0.00 -0.12 0.00 0.00 29.99 28.55 1x0o n HIS 50 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1x0o h PRO 51 N 8.55 0.17 -0.00 1.57 0.11 -1.92 0.82 132.00 141.30 1x0o h PRO 51 Ca -0.42 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1x0o h PRO 51 Cb 1.32 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1x0o h PRO 51 CO 0.98 0.11 -0.05 0.39 -0.21 0.00 0.00 178.00 179.22 1x0o n GLU 52 N -4.40 0.57 0.00 1.05 1.02 -1.26 -2.57 120.64 115.06 1x0o n GLU 52 Ca 0.25 -0.10 0.05 0.00 -0.02 0.00 0.00 57.16 57.35 1x0o n GLU 52 Cb 1.08 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 31.03 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 -1.13 1.65 0.06 1.62 8.00 0.28 -4.55 116.55 122.47 1x0o n ASP 53 Ca 0.15 -1.32 -0.03 0.00 0.71 0.00 0.00 54.79 54.29 1x0o n ASP 53 Cb 0.25 0.12 0.20 0.00 -0.02 0.00 0.00 41.12 41.67 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 1.70 0.35 -0.08 -1.24 4.20 -1.09 0.12 115.11 119.07 1x0o h GLN 54 Ca 0.00 -0.16 -0.15 0.00 0.06 0.00 0.00 58.65 58.40 1x0o h GLN 54 Cb 0.39 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1x0o h GLN 54 CO 0.00 0.68 -0.62 1.96 -0.67 0.00 0.00 178.83 180.18 1x0o h GLN 55 N 0.30 0.28 0.08 1.46 1.08 -1.80 -0.92 115.11 115.60 1x0o h GLN 55 Ca 0.03 -0.20 -0.00 0.00 -1.45 0.00 0.00 58.65 57.03 1x0o h GLN 55 Cb 0.80 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 28.26 1x0o h GLN 55 CO 0.06 0.81 -0.06 1.25 -0.95 0.00 0.00 178.83 179.95 1x0o h LEU 56 N 0.21 -0.14 -0.06 1.46 6.46 -1.50 0.15 115.31 121.89 1x0o h LEU 56 Ca -0.01 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1x0o h LEU 56 Cb 1.14 0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 41.11 1x0o h LEU 56 CO 0.10 -0.09 0.04 -0.07 -0.62 0.00 0.00 178.44 177.80 1x0o h LEU 57 N -0.14 0.07 -0.16 2.25 3.38 -0.81 -1.23 115.31 118.66 1x0o h LEU 57 Ca -0.00 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.00 1x0o h LEU 57 Cb 0.12 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.79 1x0o h LEU 57 CO 0.00 0.06 -0.40 -0.09 0.09 0.00 0.00 178.44 178.10 1x0o h ARG 58 N 0.07 -0.44 -0.13 1.13 2.43 -0.87 0.19 114.38 116.76 1x0o h ARG 58 Ca 0.02 0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.23 1x0o h ARG 58 Cb 0.00 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1x0o h ARG 58 CO -0.00 -0.29 0.06 0.22 -1.51 0.00 0.00 179.97 178.44 1x0o h ASP 59 N -0.46 0.08 0.67 -3.80 3.58 -0.65 -2.56 116.42 113.29 1x0o h ASP 59 Ca 0.09 0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.45 1x0o h ASP 59 Cb 0.61 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.64 1x0o h ASP 59 CO -0.41 0.07 -0.43 0.28 -2.88 0.00 0.00 179.24 175.87 1x0o h SER 60 N 0.13 0.00 0.16 2.28 0.02 -0.76 -1.27 113.55 114.10 1x0o h SER 60 Ca 0.05 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.89 1x0o h SER 60 Cb 0.02 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 1x0o h SER 60 CO -0.04 0.43 -0.42 -0.26 -1.14 0.00 0.00 176.83 175.40 1x0o h PHE 61 N 0.00 0.40 -0.53 3.45 -1.00 -0.44 -2.52 116.94 116.29 1x0o h PHE 61 Ca -0.00 -0.11 -0.01 0.00 2.81 0.00 0.00 57.97 60.66 1x0o h PHE 61 Cb 0.89 -0.09 -0.03 0.00 3.61 0.00 0.00 35.95 40.33 1x0o h PHE 61 CO 0.00 0.71 0.30 1.96 -1.61 0.00 0.00 178.31 179.67 1x0o h GLN 62 N 0.28 0.73 -0.53 1.51 4.20 -0.84 -2.44 115.11 118.03 1x0o h GLN 62 Ca 0.02 -0.08 0.04 0.00 0.06 0.00 0.00 58.65 58.70 1x0o h GLN 62 Cb 0.86 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 28.45 1x0o h GLN 62 CO 0.07 0.55 0.28 1.96 -0.67 0.00 0.00 178.83 181.02 1x0o h GLN 63 N 0.71 0.53 0.00 1.46 7.50 -1.11 -0.73 115.11 123.47 1x0o h GLN 63 Ca 0.19 -0.03 -0.09 0.00 0.50 0.00 0.00 58.65 59.21 1x0o h GLN 63 Cb 0.02 -0.12 -0.01 0.00 0.05 0.00 0.00 27.48 27.42 1x0o h GLN 63 CO -0.03 0.35 -0.45 -0.24 -1.50 0.00 0.00 178.83 176.96 1x0o h VAL 64 N 0.55 1.29 0.00 -0.54 3.04 -1.26 0.65 116.25 119.98 1x0o h VAL 64 Ca 0.23 -1.56 -0.04 0.00 -1.01 0.00 0.00 66.70 64.31 1x0o h VAL 64 Cb 0.11 1.85 -0.01 0.00 -2.01 0.00 0.00 31.29 31.24 1x0o h VAL 64 CO -0.15 0.44 -0.21 0.58 -1.01 0.00 0.00 177.57 177.23 1x0o h VAL 65 N 0.00 0.44 0.00 1.51 2.07 -0.95 0.62 116.25 119.94 1x0o h VAL 65 Ca -0.00 -1.21 -0.14 0.00 0.82 0.00 0.00 66.70 66.17 1x0o h VAL 65 Cb 0.81 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.45 1x0o h VAL 65 CO 0.06 0.20 -1.48 0.29 0.02 0.00 0.00 177.57 176.66 1x0o n LYS 66 N -3.27 0.63 0.06 1.57 5.02 -0.33 -4.11 118.16 117.74 1x0o n LYS 66 Ca 0.01 0.15 -0.21 0.00 -2.02 0.00 0.00 58.31 56.24 1x0o n LYS 66 Cb 0.48 -1.76 -0.13 0.00 -0.02 0.00 0.00 35.03 33.60 1x0o n LYS 66 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1x0o h LEU 67 N 0.00 0.72 -2.17 -0.35 3.38 0.40 -3.50 115.31 113.79 1x0o h LEU 67 Ca -0.15 -0.83 0.01 0.00 0.09 0.00 0.00 57.88 56.99 1x0o h LEU 67 Cb 1.48 -0.23 -0.09 0.00 0.09 0.00 0.00 40.66 41.91 1x0o h LEU 67 CO 0.03 1.48 -1.34 0.29 0.09 0.00 0.00 178.44 178.99 1x0o n LYS 68 N -3.96 -4.02 -0.47 1.13 5.02 0.20 -4.37 118.16 111.68 1x0o n LYS 68 Ca -0.13 3.09 0.00 0.00 -2.02 0.00 0.00 58.31 59.25 1x0o n LYS 68 Cb 0.88 -4.70 0.00 0.00 -0.02 0.00 0.00 35.03 31.19 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 1.57 0.74 3.58 0.72 0.00 -1.15 -4.98 105.19 105.67 1x0o n GLY 69 Ca -0.29 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.53 2.64 -0.11 1.61 -1.52 -1.26 -4.88 119.66 115.62 1x0o s GLN 70 Ca 0.00 -0.64 -0.30 0.00 -1.95 0.00 0.00 55.36 52.47 1x0o s GLN 70 Cb 0.00 -2.53 -0.02 0.00 -0.22 0.00 0.00 33.01 30.24 1x0o s GLN 70 CO 0.00 0.63 1.12 0.54 -0.25 0.00 0.00 175.29 177.33 1x0o s VAL 71 N -0.89 4.50 -0.27 1.09 0.11 -1.25 -4.44 120.40 119.25 1x0o s VAL 71 Ca 0.15 1.80 -0.02 0.00 -2.93 0.00 0.00 61.98 60.97 1x0o s VAL 71 Cb -0.11 -4.16 0.03 0.00 -1.53 0.00 0.00 36.38 30.61 1x0o s VAL 71 CO 0.04 -0.04 -0.03 -0.22 -3.33 0.00 0.00 175.10 171.53 1x0o s LEU 72 N 2.40 3.46 -0.25 2.54 1.98 0.11 -4.88 118.68 124.04 1x0o s LEU 72 Ca 0.52 -0.96 -0.16 0.00 -2.89 0.00 0.00 54.13 50.64 1x0o s LEU 72 Cb -0.21 -1.70 -0.03 0.00 0.66 0.00 0.00 46.19 44.90 1x0o s LEU 72 CO 0.18 -0.17 0.43 -0.44 -1.89 0.00 0.00 176.35 174.46 1x0o s SER 73 N 1.33 6.36 -0.09 3.68 0.01 -1.26 0.27 113.70 124.00 1x0o s SER 73 Ca -0.01 0.43 0.04 0.00 1.31 0.00 0.00 55.95 57.72 1x0o s SER 73 Cb -0.18 -2.24 0.00 0.00 0.21 0.00 0.00 66.02 63.81 1x0o s SER 73 CO -0.03 -0.20 -0.22 0.54 0.41 0.00 0.00 173.24 173.75 1x0o s VAL 74 N 1.99 1.87 -0.16 3.43 0.11 -0.09 -4.97 120.40 122.58 1x0o s VAL 74 Ca 0.18 -0.92 -0.00 0.00 -2.93 0.00 0.00 61.98 58.31 1x0o s VAL 74 Cb -0.16 -1.62 -0.01 0.00 -1.53 0.00 0.00 36.38 33.07 1x0o s VAL 74 CO 0.09 0.52 -0.13 -0.32 -3.33 0.00 0.00 175.10 171.93 1x0o s MET 75 N 0.31 3.28 0.37 1.54 1.75 -1.26 -0.19 119.30 125.11 1x0o s MET 75 Ca -0.15 -0.72 -0.10 0.00 -1.25 0.00 0.00 55.69 53.47 1x0o s MET 75 Cb -0.17 -2.67 0.03 0.00 2.84 0.00 0.00 34.83 34.87 1x0o s MET 75 CO 0.07 0.05 0.66 -0.59 -0.65 0.00 0.00 175.02 174.56 1x0o s PHE 76 N 0.76 0.55 -0.42 4.11 -0.71 -0.52 -5.01 117.98 116.74 1x0o s PHE 76 Ca -0.06 -1.04 -0.16 0.00 -1.04 0.00 0.00 56.93 54.64 1x0o s PHE 76 Cb -0.15 0.44 0.02 0.00 -1.21 0.00 0.00 43.02 42.12 1x0o s PHE 76 CO 0.01 -1.40 0.35 1.03 -1.34 0.00 0.00 175.22 173.87 1x0o s ARG 77 N -2.55 3.01 -0.07 1.99 0.52 -1.25 -0.89 118.95 119.71 1x0o s ARG 77 Ca 0.22 -0.93 -0.24 0.00 -0.52 0.00 0.00 55.73 54.26 1x0o s ARG 77 Cb -0.03 -3.98 -0.03 0.00 0.52 0.00 0.00 34.95 31.43 1x0o s ARG 77 CO 0.16 -0.79 0.73 0.12 0.02 0.00 0.00 175.30 175.54 1x0o s PHE 78 N 1.84 3.57 -0.76 -0.53 2.19 0.86 -0.97 117.98 124.18 1x0o s PHE 78 Ca 0.07 1.28 -0.24 0.00 0.33 0.00 0.00 56.93 58.37 1x0o s PHE 78 Cb -0.18 -2.85 0.06 0.00 -1.31 0.00 0.00 43.02 38.74 1x0o s PHE 78 CO 0.11 0.05 1.16 0.50 1.83 0.00 0.00 175.22 178.87 1x0o s ARG 79 N 0.94 3.24 1.29 10.12 3.52 0.17 -1.45 118.95 136.79 1x0o s ARG 79 Ca 0.39 -0.72 -0.18 0.00 -0.13 0.00 0.00 55.73 55.09 1x0o s ARG 79 Cb -0.18 -4.41 0.33 0.00 -1.56 0.00 0.00 34.95 29.13 1x0o s ARG 79 CO 0.18 -1.99 0.98 0.45 -0.81 0.00 0.00 175.30 174.12 1x0o s SER 80 N 3.85 -0.02 0.33 -2.12 0.15 0.12 -4.78 113.70 111.23 1x0o s SER 80 Ca 0.31 1.16 0.23 0.00 0.70 0.00 0.00 55.95 58.35 1x0o s SER 80 Cb -0.10 -1.75 1.19 0.00 -1.71 0.00 0.00 66.02 63.66 1x0o s SER 80 CO 0.08 -4.77 1.70 0.50 1.20 0.00 0.00 173.24 171.95 1x0o h LYS 81 N -3.01 0.00 -0.18 5.44 1.63 -1.32 0.16 116.57 119.29 1x0o h LYS 81 Ca -0.53 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.27 1x0o h LYS 81 Cb 1.34 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.97 1x0o h LYS 81 CO 0.40 0.00 0.00 0.09 -3.45 0.00 0.00 179.45 176.49 1x0o n ASN 82 N -2.29 2.60 -1.61 4.20 3.02 -1.26 -4.90 115.26 115.01 1x0o n ASN 82 Ca -0.01 -1.85 -0.13 0.00 -0.03 0.00 0.00 54.58 52.56 1x0o n ASN 82 Cb 0.07 -0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 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 0.97 -1.57 -3.84 3.52 3.00 0.56 -5.01 117.38 115.00 1x0o n GLN 83 Ca 0.17 0.61 -0.35 0.00 -0.01 0.00 0.00 57.00 57.42 1x0o n GLN 83 Cb 0.50 -4.82 -0.08 0.00 0.00 0.00 0.00 30.24 25.84 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 -4.81 3.96 -0.91 -1.09 2.02 -1.25 -4.84 118.70 111.78 1x0o s GLU 84 Ca 0.05 -0.24 -0.04 0.00 0.02 0.00 0.00 54.97 54.76 1x0o s GLU 84 Cb -0.02 -3.31 0.23 0.00 0.10 0.00 0.00 34.13 31.13 1x0o s GLU 84 CO 0.06 0.40 0.82 -1.58 0.02 0.00 0.00 175.26 174.98 1x0o s TRP 85 N 0.05 3.93 0.68 1.61 0.51 -1.25 0.13 118.94 124.61 1x0o s TRP 85 Ca 0.08 -2.89 -0.04 0.00 -2.12 0.00 0.00 56.10 51.13 1x0o s TRP 85 Cb -0.11 -3.39 0.07 0.00 -0.81 0.00 0.00 33.47 29.23 1x0o s TRP 85 CO -0.00 -0.80 0.96 -0.48 -0.51 0.00 0.00 176.95 176.12 1x0o s LEU 86 N -1.17 2.95 -0.55 2.99 0.05 -0.53 -4.49 118.68 117.95 1x0o s LEU 86 Ca 0.27 0.22 -0.25 0.00 0.05 0.00 0.00 54.13 54.42 1x0o s LEU 86 Cb -0.09 -2.87 0.04 0.00 -2.05 0.00 0.00 46.19 41.21 1x0o s LEU 86 CO -0.11 -1.56 1.01 0.26 -0.55 0.00 0.00 176.35 175.40 1x0o s TRP 87 N -3.13 2.76 -0.02 3.48 0.52 -0.79 -0.10 118.94 121.65 1x0o s TRP 87 Ca 0.61 0.15 0.05 0.00 0.02 0.00 0.00 56.10 56.93 1x0o s TRP 87 Cb -0.10 -4.18 -0.01 0.00 -1.15 0.00 0.00 33.47 28.03 1x0o s TRP 87 CO 0.43 -1.38 -0.17 1.41 0.02 0.00 0.00 176.95 177.27 1x0o s MET 88 N 4.19 1.50 -0.24 4.98 -2.45 -0.07 -1.45 119.30 125.76 1x0o s MET 88 Ca 0.35 -0.59 -0.04 0.00 -1.25 0.00 0.00 55.69 54.15 1x0o s MET 88 Cb -0.11 -1.39 -0.01 0.00 1.25 0.00 0.00 34.83 34.58 1x0o s MET 88 CO 0.22 0.31 -0.01 0.50 1.05 0.00 0.00 175.02 177.08 1x0o s ARG 89 N -0.20 3.34 -0.23 4.11 3.52 -0.37 -1.44 118.95 127.67 1x0o s ARG 89 Ca 0.02 -0.66 -0.15 0.00 -0.13 0.00 0.00 55.73 54.81 1x0o s ARG 89 Cb -0.08 -3.09 -0.04 0.00 -1.56 0.00 0.00 34.95 30.18 1x0o s ARG 89 CO 0.00 -0.24 0.39 0.99 -0.81 0.00 0.00 175.30 175.63 1x0o s THR 90 N 1.49 5.19 -0.34 4.11 2.01 0.74 -2.04 115.64 126.79 1x0o s THR 90 Ca 0.05 0.65 -0.19 0.00 0.31 0.00 0.00 61.69 62.51 1x0o s THR 90 Cb -0.15 -3.72 -0.00 0.00 0.01 0.00 0.00 72.50 68.64 1x0o s THR 90 CO -0.02 0.21 0.58 -0.44 -0.69 0.00 0.00 174.62 174.27 1x0o s SER 91 N 1.27 6.39 -0.23 3.53 0.01 0.79 -0.91 113.70 124.54 1x0o s SER 91 Ca 0.17 0.13 -0.15 0.00 1.31 0.00 0.00 55.95 57.41 1x0o s SER 91 Cb -0.15 -2.30 -0.04 0.00 0.21 0.00 0.00 66.02 63.74 1x0o s SER 91 CO 0.08 -0.53 0.38 -0.44 0.41 0.00 0.00 173.24 173.15 1x0o s SER 92 N 1.75 6.35 -0.06 2.44 0.01 0.14 -1.27 113.70 123.06 1x0o s SER 92 Ca 0.22 0.41 0.05 0.00 1.31 0.00 0.00 55.95 57.94 1x0o s SER 92 Cb -0.15 -2.22 -0.01 0.00 0.21 0.00 0.00 66.02 63.86 1x0o s SER 92 CO 0.14 -0.12 -0.22 0.12 0.41 0.00 0.00 173.24 173.56 1x0o s PHE 93 N 1.64 2.23 -0.34 2.43 5.36 -0.46 0.06 117.98 128.89 1x0o s PHE 93 Ca 0.17 -0.69 -0.11 0.00 -0.96 0.00 0.00 56.93 55.33 1x0o s PHE 93 Cb -0.15 -1.48 0.00 0.00 -0.34 0.00 0.00 43.02 41.06 1x0o s PHE 93 CO 0.08 -0.23 0.20 0.95 -1.46 0.00 0.00 175.22 174.76 1x0o s THR 94 N -0.03 4.80 -0.83 0.12 -4.23 -1.26 0.19 115.64 114.40 1x0o s THR 94 Ca -0.06 -0.51 -0.25 0.00 -1.18 0.00 0.00 61.69 59.69 1x0o s THR 94 Cb -0.14 -3.53 0.01 0.00 1.34 0.00 0.00 72.50 70.18 1x0o s THR 94 CO 0.04 -0.06 1.58 0.12 -0.54 0.00 0.00 174.62 175.76 1x0o s PHE 95 N 1.63 2.13 -0.16 3.99 2.19 -0.05 -2.92 117.98 124.79 1x0o s PHE 95 Ca 0.04 0.03 -0.29 0.00 0.33 0.00 0.00 56.93 57.04 1x0o s PHE 95 Cb -0.18 -4.42 -0.01 0.00 -1.31 0.00 0.00 43.02 37.10 1x0o s PHE 95 CO 0.08 -2.02 1.17 -0.65 1.83 0.00 0.00 175.22 175.62 1x0o s GLN 96 N 6.04 4.27 -0.17 10.12 -0.21 -1.25 -2.44 119.66 136.03 1x0o s GLN 96 Ca 0.52 1.55 -0.34 0.00 0.02 0.00 0.00 55.36 57.11 1x0o s GLN 96 Cb -0.06 -3.68 -0.11 0.00 1.00 0.00 0.00 33.01 30.15 1x0o s GLN 96 CO 0.06 -0.61 1.96 -1.71 -2.12 0.00 0.00 175.29 172.87 1x0o n ASN 97 N 6.17 3.08 0.13 5.90 2.85 0.95 -4.79 115.26 129.56 1x0o n ASN 97 Ca 0.12 0.80 0.07 0.00 -0.11 0.00 0.00 54.58 55.47 1x0o n ASN 97 Cb 0.46 -1.34 0.39 0.00 1.24 0.00 0.00 39.78 40.53 1x0o n ASN 97 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1x0o n PRO 98 N 7.04 0.10 -0.00 1.20 -0.04 -1.26 0.37 135.00 142.40 1x0o n PRO 98 Ca 0.27 0.57 0.00 0.00 -0.04 0.00 0.00 63.50 64.30 1x0o n PRO 98 Cb 0.28 -1.94 0.00 0.00 -0.04 0.00 0.00 33.50 31.80 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 -2.02 0.00 0.00 0.54 4.01 -1.26 -4.75 117.16 113.68 1x0o n TYR 99 Ca -0.01 -0.25 0.00 0.00 -0.16 0.00 0.00 57.90 57.48 1x0o n TYR 99 Cb 0.15 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.15 1x0o n TYR 99 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1x0o n SER 100 N -0.24 0.10 0.00 7.72 7.64 0.30 -5.02 113.62 124.13 1x0o n SER 100 Ca 0.00 -0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1x0o n SER 100 Cb 0.13 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 1x0o n SER 100 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1x0o n ASP 101 N -0.04 -4.09 -4.90 6.43 9.92 0.16 -4.91 116.55 119.13 1x0o n ASP 101 Ca 0.00 0.00 -0.28 0.00 -0.53 0.00 0.00 54.79 53.98 1x0o n ASP 101 Cb 0.00 -2.54 -0.01 0.00 -0.64 0.00 0.00 41.12 37.92 1x0o n ASP 101 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 1x0o s GLU 102 N -1.33 3.63 -0.37 -1.24 -1.05 -1.26 -4.70 118.70 112.39 1x0o s GLU 102 Ca 0.00 0.27 -0.11 0.00 -0.15 0.00 0.00 54.97 54.98 1x0o s GLU 102 Cb 0.00 -2.41 0.02 0.00 -0.44 0.00 0.00 34.13 31.30 1x0o s GLU 102 CO 0.00 -0.10 0.21 0.42 0.95 0.00 0.00 175.26 176.73 1x0o s ILE 103 N -2.54 4.65 -0.03 1.83 1.01 -1.26 -0.03 121.20 124.83 1x0o s ILE 103 Ca 0.48 -0.75 -0.06 0.00 0.00 0.00 0.00 60.65 60.32 1x0o s ILE 103 Cb -0.10 -3.55 -0.29 0.00 0.01 0.00 0.00 42.46 38.53 1x0o s ILE 103 CO 0.38 -0.18 0.74 1.05 0.00 0.00 0.00 174.94 176.93 1x0o h GLU 104 N 8.44 0.31 -2.55 2.79 4.11 -1.87 -3.49 114.58 122.30 1x0o h GLU 104 Ca -0.27 -0.53 0.15 0.00 0.07 0.00 0.00 59.36 58.78 1x0o h GLU 104 Cb 1.11 0.20 -0.04 0.00 0.50 0.00 0.00 28.75 30.52 1x0o h GLU 104 CO 0.66 1.19 0.54 1.52 0.07 0.00 0.00 179.01 182.99 1x0o s TYR 105 N -2.60 0.05 0.00 2.06 -0.85 -1.26 -4.84 117.35 109.92 1x0o s TYR 105 Ca -0.13 -0.46 -0.00 0.00 -0.52 0.00 0.00 57.07 55.96 1x0o s TYR 105 Cb 0.06 0.71 -0.04 0.00 0.38 0.00 0.00 41.96 43.07 1x0o s TYR 105 CO 0.85 -0.98 0.08 0.42 -1.52 0.00 0.00 175.55 174.40 1x0o s ILE 106 N -2.34 4.69 -0.27 -3.49 1.01 0.12 -0.87 121.20 120.05 1x0o s ILE 106 Ca 0.20 -0.44 -0.01 0.00 0.00 0.00 0.00 60.65 60.39 1x0o s ILE 106 Cb -0.03 -3.15 0.04 0.00 0.01 0.00 0.00 42.46 39.33 1x0o s ILE 106 CO 0.05 0.34 -0.04 -0.63 0.00 0.00 0.00 174.94 174.66 1x0o s ILE 107 N -1.20 2.88 -0.18 2.92 1.01 0.13 -0.40 121.20 126.36 1x0o s ILE 107 Ca 0.23 -1.17 -0.04 0.00 0.00 0.00 0.00 60.65 59.67 1x0o s ILE 107 Cb -0.12 -2.54 -0.02 0.00 0.01 0.00 0.00 42.46 39.79 1x0o s ILE 107 CO 0.14 0.09 -0.03 0.00 0.00 0.00 0.00 174.94 175.14 1x0o s THR 109 N 0.80 5.08 -0.34 0.00 2.01 -0.40 -1.11 115.64 121.69 1x0o s THR 109 Ca -0.01 0.58 -0.07 0.00 0.31 0.00 0.00 61.69 62.50 1x0o s THR 109 Cb -0.14 -3.84 0.04 0.00 0.01 0.00 0.00 72.50 68.56 1x0o s THR 109 CO 0.02 -0.01 0.11 0.20 -0.69 0.00 0.00 174.62 174.25 1x0o s ASN 110 N 1.65 5.32 -0.13 3.53 -0.87 0.49 -0.15 114.94 124.78 1x0o s ASN 110 Ca 0.18 -1.08 0.00 0.00 -1.57 0.00 0.00 52.86 50.39 1x0o s ASN 110 Cb -0.16 -1.88 -0.01 0.00 -0.02 0.00 0.00 41.25 39.18 1x0o s ASN 110 CO 0.11 -0.32 -0.14 -0.89 -2.57 0.00 0.00 177.10 173.29 1x0o s THR 111 N 1.42 2.97 -0.42 1.60 2.01 -0.87 -1.20 115.64 121.16 1x0o s THR 111 Ca -0.01 -0.69 -0.24 0.00 0.31 0.00 0.00 61.69 61.06 1x0o s THR 111 Cb -0.19 -2.24 0.02 0.00 0.01 0.00 0.00 72.50 70.10 1x0o s THR 111 CO 0.03 0.53 0.83 0.21 -0.69 0.00 0.00 174.62 175.53 1x0o s ASN 112 N 0.33 6.49 0.00 3.53 3.04 -0.52 -1.24 114.94 126.56 1x0o s ASN 112 Ca -0.11 0.12 0.00 0.00 0.04 0.00 0.00 52.86 52.91 1x0o s ASN 112 Cb -0.16 -2.41 0.00 0.00 -1.54 0.00 0.00 41.25 37.14 1x0o s ASN 112 CO 0.06 -0.89 0.00 0.52 -3.04 0.00 0.00 177.10 173.75 1x0o n VAL 113 N 6.10 0.00 -4.69 -5.21 0.31 -0.53 -4.96 118.33 109.36 1x0o n VAL 113 Ca 0.04 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.06 1x0o n VAL 113 Cb 0.48 -0.05 -0.07 0.00 -0.91 0.00 0.00 33.84 33.29 1x0o n VAL 113 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1x0o s LYS 114 N 0.00 2.14 0.12 5.55 -2.85 -1.19 -5.04 119.74 118.47 1x0o s LYS 114 Ca 0.00 -2.37 -0.01 0.00 -1.00 0.00 0.00 55.97 52.60 1x0o s LYS 114 Cb 0.00 -1.17 -0.04 0.00 -2.06 0.00 0.00 37.83 34.56 1x0o s LYS 114 CO 0.00 -0.45 0.30 1.21 0.10 0.00 0.00 175.35 176.51 1x0o s ASN 115 N -3.80 6.39 0.88 0.03 3.84 -1.26 -1.89 114.94 119.12 1x0o s ASN 115 Ca 0.09 0.35 -0.13 0.00 0.21 0.00 0.00 52.86 53.37 1x0o s ASN 115 Cb 0.01 -1.99 0.13 0.00 -0.55 0.00 0.00 41.25 38.85 1x0o s ASN 115 CO 0.06 0.08 1.20 -0.55 -2.79 0.00 0.00 177.10 175.10 1x0o s SER 116 N -2.77 3.85 -1.00 -4.21 0.15 -1.26 -4.68 113.70 103.77 1x0o s SER 116 Ca 0.37 0.70 -0.25 0.00 0.70 0.00 0.00 55.95 57.47 1x0o s SER 116 Cb -0.12 -1.10 -0.11 0.00 -1.71 0.00 0.00 66.02 62.98 1x0o s SER 116 CO 0.28 -2.31 2.06 -0.55 1.20 0.00 0.00 173.24 173.91 1x0o s SER 117 N -4.51 4.55 -1.50 5.45 0.15 -1.26 -4.81 113.70 111.77 1x0o s SER 117 Ca 0.65 -0.90 -0.11 0.00 0.70 0.00 0.00 55.95 56.29 1x0o s SER 117 Cb -0.10 -2.57 -0.06 0.00 -1.71 0.00 0.00 66.02 61.57 1x0o s SER 117 CO 0.51 -3.44 2.69 1.67 1.20 0.00 0.00 173.24 175.87 1x0o n GLN 118 N 8.54 3.30 0.00 5.44 7.27 -1.26 -5.14 117.38 135.53 1x0o n GLN 118 Ca 0.43 -2.21 0.00 0.00 0.07 0.00 0.00 57.00 55.29 1x0o n GLN 118 Cb 0.46 -2.88 0.00 0.00 2.41 0.00 0.00 30.24 30.23 1x0o n GLN 118 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52