#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mg6 h LEU 2 N 0.00 0.00 -0.54 1.04 5.85 -1.60 -1.57 115.31 118.49 1mg6 h LEU 2 Ca 0.00 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.58 1mg6 h LEU 2 Cb 0.00 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1mg6 h LEU 2 CO 0.00 0.00 -0.33 -0.26 -0.34 0.00 0.00 178.44 177.51 1mg6 h PHE 3 N 0.00 0.96 -0.14 1.25 -1.00 -1.95 -0.59 116.94 115.47 1mg6 h PHE 3 Ca 0.19 -0.26 -0.12 0.00 2.81 0.00 0.00 57.97 60.59 1mg6 h PHE 3 Cb 0.76 -0.21 0.00 0.00 3.61 0.00 0.00 35.95 40.11 1mg6 h PHE 3 CO -0.00 1.04 -0.38 0.93 -1.61 0.00 0.00 178.31 178.29 1mg6 h GLU 4 N 0.69 0.51 -0.09 1.51 3.07 -1.70 -2.80 114.58 115.77 1mg6 h GLU 4 Ca 0.07 -0.36 0.02 0.00 -0.50 0.00 0.00 59.36 58.60 1mg6 h GLU 4 Cb 0.88 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.83 1mg6 h GLU 4 CO 0.08 0.97 -0.05 1.25 -1.40 0.00 0.00 179.01 179.87 1mg6 h LEU 5 N 0.13 -0.15 -0.61 1.33 5.85 -1.32 -1.29 115.31 119.25 1mg6 h LEU 5 Ca -0.01 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.81 1mg6 h LEU 5 Cb 0.99 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.05 1mg6 h LEU 5 CO 0.08 -0.06 0.32 1.23 -0.34 0.00 0.00 178.44 179.67 1mg6 h GLY 6 N -0.04 0.89 0.99 3.75 0.00 -1.15 -1.67 103.07 105.84 1mg6 h GLY 6 Ca 0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 1mg6 h GLY 6 CO -0.12 0.12 0.29 1.70 0.00 0.00 0.00 176.54 178.53 1mg6 h LYS 7 N 0.59 0.87 -0.11 4.80 3.64 -1.20 -1.70 116.57 123.46 1mg6 h LYS 7 Ca 0.28 -0.13 0.01 0.00 -1.27 0.00 0.00 60.65 59.54 1mg6 h LYS 7 Cb 0.20 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1mg6 h LYS 7 CO -0.19 0.70 0.05 0.52 -2.27 0.00 0.00 179.45 178.26 1mg6 h MET 8 N 0.83 0.12 -0.66 1.90 2.86 -0.71 0.83 114.93 120.09 1mg6 h MET 8 Ca 0.21 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.86 1mg6 h MET 8 Cb 0.12 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.72 1mg6 h MET 8 CO -0.03 0.08 0.43 0.82 1.06 0.00 0.00 176.91 179.27 1mg6 h ILE 9 N 0.12 1.14 -0.66 -1.22 2.04 -1.17 -0.04 117.51 117.73 1mg6 h ILE 9 Ca 0.05 -0.30 -0.06 0.00 1.00 0.00 0.00 64.86 65.55 1mg6 h ILE 9 Cb 0.01 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 36.26 1mg6 h ILE 9 CO -0.03 0.16 0.19 -0.25 0.00 0.00 0.00 178.15 178.21 1mg6 h TRP 10 N 0.86 1.07 -0.42 1.37 7.01 -0.99 0.84 115.95 125.70 1mg6 h TRP 10 Ca 0.25 -0.12 -0.10 0.00 2.11 0.00 0.00 58.89 61.04 1mg6 h TRP 10 Cb -0.06 -0.31 -0.02 0.00 -2.10 0.00 0.00 29.16 26.68 1mg6 h TRP 10 CO -0.03 0.88 -0.15 1.96 -2.79 0.00 0.00 178.44 178.30 1mg6 h GLN 11 N 0.96 0.77 0.11 2.65 4.20 -0.28 0.38 115.11 123.91 1mg6 h GLN 11 Ca 0.21 -0.27 -0.31 0.00 0.06 0.00 0.00 58.65 58.34 1mg6 h GLN 11 Cb 0.32 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1mg6 h GLN 11 CO -0.00 0.88 -1.54 0.93 -0.67 0.00 0.00 178.83 178.42 1mg6 h GLU 12 N 0.69 0.24 0.00 1.46 4.39 -0.85 -3.39 114.58 117.12 1mg6 h GLU 12 Ca 0.11 -0.41 -0.01 0.00 0.34 0.00 0.00 59.36 59.39 1mg6 h GLU 12 Cb 0.64 0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 29.44 1mg6 h GLU 12 CO 0.04 1.10 -1.69 0.25 -1.16 0.00 0.00 179.01 177.55 1mg6 n THR 13 N -3.44 0.05 -1.12 1.13 -2.24 0.27 -4.80 114.28 104.13 1mg6 n THR 13 Ca -0.17 -0.35 -0.04 0.00 -2.27 0.00 0.00 64.05 61.22 1mg6 n THR 13 Cb 1.04 0.12 -0.02 0.00 -2.10 0.00 0.00 70.33 69.37 1mg6 n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mg6 n GLY 14 N 1.69 0.69 3.39 3.38 0.00 0.13 -5.02 105.19 109.45 1mg6 n GLY 14 Ca -0.04 -0.49 -0.30 0.00 0.00 0.00 0.00 46.02 45.19 1mg6 n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mg6 s LYS 15 N -1.87 1.67 0.05 1.61 1.02 -1.26 -5.04 119.74 115.93 1mg6 s LYS 15 Ca 0.00 -1.20 -0.30 0.00 0.02 0.00 0.00 55.97 54.49 1mg6 s LYS 15 Cb 0.00 -1.98 -0.09 0.00 -0.52 0.00 0.00 37.83 35.24 1mg6 s LYS 15 CO 0.00 0.49 1.80 1.21 -0.92 0.00 0.00 175.35 177.93 1mg6 s ASN 16 N -1.65 6.52 0.21 2.83 3.84 -1.26 -4.14 114.94 121.28 1mg6 s ASN 16 Ca 0.13 2.58 -0.10 0.00 0.21 0.00 0.00 52.86 55.68 1mg6 s ASN 16 Cb -0.10 -2.55 0.16 0.00 -0.55 0.00 0.00 41.25 38.21 1mg6 s ASN 16 CO 0.05 -0.98 1.85 1.55 -2.79 0.00 0.00 177.10 176.78 1mg6 h PRO 17 N 9.34 1.04 0.03 0.43 0.13 -1.93 -2.12 132.00 138.92 1mg6 h PRO 17 Ca -0.45 -0.09 -0.00 0.00 -0.87 0.00 0.00 66.00 64.58 1mg6 h PRO 17 Cb 1.21 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1mg6 h PRO 17 CO 0.94 0.73 -0.02 0.28 -0.23 0.00 0.00 178.00 179.71 1mg6 h VAL 18 N 1.05 1.18 -0.32 1.56 2.07 -1.92 0.60 116.25 120.46 1mg6 h VAL 18 Ca 0.27 -0.67 -0.03 0.00 0.82 0.00 0.00 66.70 67.10 1mg6 h VAL 18 Cb -0.04 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1mg6 h VAL 18 CO -0.05 0.17 0.07 0.50 0.02 0.00 0.00 177.57 178.28 1mg6 h LYS 19 N -0.33 0.52 0.00 1.57 3.64 -1.97 -0.47 116.57 119.54 1mg6 h LYS 19 Ca -0.00 -0.13 -0.10 0.00 -1.27 0.00 0.00 60.65 59.14 1mg6 h LYS 19 Cb 0.31 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1mg6 h LYS 19 CO 0.01 0.59 -0.83 -0.91 -2.27 0.00 0.00 179.45 176.04 1mg6 h ASN 20 N 0.37 0.00 0.00 4.20 4.21 -1.43 -3.40 115.58 119.52 1mg6 h ASN 20 Ca 0.10 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.61 1mg6 h ASN 20 Cb 0.31 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.51 1mg6 h ASN 20 CO 0.00 0.42 0.00 -1.22 -1.29 0.00 0.00 177.43 175.34 1mg6 n TYR 22 N -3.03 0.00 0.21 1.19 4.02 0.19 -4.58 117.16 115.16 1mg6 n TYR 22 Ca -0.02 -0.12 0.09 0.00 -0.01 0.00 0.00 57.90 57.84 1mg6 n TYR 22 Cb 0.73 -0.01 0.43 0.00 -0.02 0.00 0.00 39.34 40.47 1mg6 n TYR 22 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1mg6 h GLY 23 N 0.00 0.00 -0.96 2.72 0.00 -0.90 -2.68 103.07 101.25 1mg6 h GLY 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1mg6 h GLY 23 CO 0.00 0.00 -0.43 1.04 0.00 0.00 0.00 176.54 177.15 1mg6 n LEU 24 N -3.46 0.00 -4.74 3.11 4.32 -1.26 -1.97 117.00 113.01 1mg6 n LEU 24 Ca -0.00 -0.96 -0.41 0.00 -0.02 0.00 0.00 56.01 54.61 1mg6 n LEU 24 Cb 0.45 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.22 1mg6 n LEU 24 CO 0.34 0.32 1.00 -0.47 -1.22 0.00 0.00 177.39 177.36 1mg6 s TYR 25 N 0.00 3.24 0.00 -1.77 6.14 -0.97 -2.17 117.35 121.81 1mg6 s TYR 25 Ca 0.00 1.19 0.00 0.00 0.64 0.00 0.00 57.07 58.90 1mg6 s TYR 25 Cb 0.00 -3.62 0.00 0.00 0.42 0.00 0.00 41.96 38.76 1mg6 s TYR 25 CO 0.00 -1.96 0.00 0.41 0.64 0.00 0.00 175.55 174.64 1mg6 n GLY 26 N 2.40 1.13 0.63 8.97 0.00 -0.45 -2.06 105.19 115.82 1mg6 n GLY 26 Ca 0.06 -0.55 0.11 0.00 0.00 0.00 0.00 46.02 45.65 1mg6 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mg6 n ASN 28 N 0.37 2.56 -4.74 0.00 3.02 -1.25 -3.56 115.26 111.67 1mg6 n ASN 28 Ca 0.11 -0.01 -0.41 0.00 -0.03 0.00 0.00 54.58 54.24 1mg6 n ASN 28 Cb 0.51 0.54 -0.05 0.00 -0.61 0.00 0.00 39.78 40.16 1mg6 n ASN 28 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1mg6 n GLY 30 N 2.07 1.40 3.58 0.00 0.00 -1.01 -3.69 105.19 107.55 1mg6 n GLY 30 Ca 0.00 -0.64 -0.38 0.00 0.00 0.00 0.00 46.02 45.00 1mg6 n GLY 30 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1mg6 n VAL 31 N 0.00 3.28 -0.42 1.61 0.24 -0.83 -4.80 118.33 117.41 1mg6 n VAL 31 Ca 0.00 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.80 1mg6 n VAL 31 Cb 0.00 -1.03 0.00 0.00 -1.47 0.00 0.00 33.84 31.34 1mg6 n VAL 31 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1mg6 n GLY 32 N 1.40 -3.00 0.00 7.63 0.00 -1.26 -4.93 105.19 105.03 1mg6 n GLY 32 Ca 0.13 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.36 1mg6 n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mg6 n GLY 33 N -0.43 1.47 3.82 -0.02 0.00 -1.26 -5.03 105.19 103.74 1mg6 n GLY 33 Ca 0.00 -1.31 -0.22 0.00 0.00 0.00 0.00 46.02 44.49 1mg6 n GLY 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mg6 s ARG 34 N 3.90 2.50 0.14 1.61 0.52 -1.26 -4.56 118.95 121.80 1mg6 s ARG 34 Ca 0.00 -1.52 -0.24 0.00 -0.52 0.00 0.00 55.73 53.45 1mg6 s ARG 34 Cb 0.00 -2.30 0.08 0.00 0.52 0.00 0.00 34.95 33.25 1mg6 s ARG 34 CO 0.00 -0.05 1.08 0.20 0.02 0.00 0.00 175.30 176.55 1mg6 s GLY 35 N -4.01 -0.00 -0.06 -3.53 0.00 -1.23 -4.90 107.32 93.59 1mg6 s GLY 35 Ca 0.43 -0.15 -0.29 0.00 0.00 0.00 0.00 44.72 44.71 1mg6 s GLY 35 CO 0.26 2.34 1.99 1.85 0.00 0.00 0.00 173.10 179.53 1mg6 s GLU 36 N -2.32 3.83 0.29 2.90 2.12 -0.13 -4.77 118.70 120.63 1mg6 s GLU 36 Ca 0.21 2.34 -0.30 0.00 0.36 0.00 0.00 54.97 57.58 1mg6 s GLU 36 Cb -0.02 -4.20 -0.11 0.00 0.26 0.00 0.00 34.13 30.06 1mg6 s GLU 36 CO 0.03 -1.30 1.62 -1.25 -0.54 0.00 0.00 175.26 173.82 1mg6 s PRO 37 N 4.97 4.11 0.09 4.30 0.04 -1.26 -4.72 135.00 142.53 1mg6 s PRO 37 Ca 0.89 2.61 0.04 0.00 0.04 0.00 0.00 61.00 64.57 1mg6 s PRO 37 Cb -0.38 -3.02 -0.23 0.00 0.04 0.00 0.00 34.50 30.91 1mg6 s PRO 37 CO 0.38 -0.66 1.19 -0.07 0.04 0.00 0.00 177.00 177.88 1mg6 h LEU 38 N 4.94 0.13 0.00 -3.56 3.38 -1.91 -3.47 115.31 114.83 1mg6 h LEU 38 Ca -0.47 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.34 1mg6 h LEU 38 Cb 1.22 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 1mg6 h LEU 38 CO 0.80 1.12 0.05 -0.90 0.09 0.00 0.00 178.44 179.60 1mg6 n ASP 39 N -3.39 -0.53 -0.14 -0.43 5.68 -1.26 -5.01 116.55 111.46 1mg6 n ASP 39 Ca -0.04 -1.41 -0.05 0.00 -0.50 0.00 0.00 54.79 52.79 1mg6 n ASP 39 Cb 0.97 0.90 0.04 0.00 -1.14 0.00 0.00 41.12 41.89 1mg6 n ASP 39 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1mg6 h ALA 40 N 1.93 0.55 -0.45 2.12 0.00 -1.94 0.56 119.26 122.03 1mg6 h ALA 40 Ca -0.08 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1mg6 h ALA 40 Cb 0.30 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1mg6 h ALA 40 CO 0.10 -0.16 0.29 1.15 0.00 0.00 0.00 179.25 180.63 1mg6 h THR 41 N 0.41 1.08 -0.76 0.00 2.02 -1.91 -1.48 112.91 112.27 1mg6 h THR 41 Ca 0.20 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 1mg6 h THR 41 Cb 0.13 0.45 -0.04 0.00 -1.74 0.00 0.00 68.15 66.96 1mg6 h THR 41 CO -0.16 0.11 0.47 -0.78 0.37 0.00 0.00 175.52 175.53 1mg6 h ASP 42 N 0.58 0.91 -0.69 4.18 3.58 -1.80 -1.78 116.42 121.39 1mg6 h ASP 42 Ca 0.17 -0.04 -0.03 0.00 0.42 0.00 0.00 57.03 57.55 1mg6 h ASP 42 Cb -0.03 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 40.76 1mg6 h ASP 42 CO -0.06 0.69 0.32 0.03 -2.88 0.00 0.00 179.24 177.34 1mg6 h ARG 43 N 1.05 1.03 -0.52 0.28 3.08 -0.04 -1.62 114.38 117.63 1mg6 h ARG 43 Ca 0.28 -0.15 0.07 0.00 0.07 0.00 0.00 59.98 60.24 1mg6 h ARG 43 Cb -0.06 -0.18 -0.06 0.00 0.08 0.00 0.00 29.97 29.75 1mg6 h ARG 43 CO -0.05 0.81 0.21 0.00 -1.07 0.00 0.00 179.97 179.87 1mg6 h PHE 46 N 0.28 -0.05 -0.87 0.00 3.57 -0.33 -1.68 116.94 117.88 1mg6 h PHE 46 Ca 0.04 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1mg6 h PHE 46 Cb 0.61 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.32 1mg6 h PHE 46 CO 0.01 0.19 0.55 0.28 -2.23 0.00 0.00 178.31 177.11 1mg6 h VAL 47 N -0.28 1.23 -0.27 1.41 2.07 -0.96 -1.83 116.25 117.62 1mg6 h VAL 47 Ca -0.01 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1mg6 h VAL 47 Cb 0.26 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 1mg6 h VAL 47 CO 0.01 0.24 0.17 -0.74 0.02 0.00 0.00 177.57 177.27 1mg6 h HIS 48 N 1.18 0.33 0.00 1.57 -0.00 -0.97 0.27 115.15 117.53 1mg6 h HIS 48 Ca 0.31 0.01 -0.07 0.00 -0.00 0.00 0.00 60.37 60.62 1mg6 h HIS 48 Cb -0.09 -0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 27.20 1mg6 h HIS 48 CO -0.01 0.21 -0.33 0.87 -0.00 0.00 0.00 177.93 178.67 1mg6 h LYS 49 N 0.36 0.00 -0.31 5.26 1.57 -1.07 -1.95 116.57 120.43 1mg6 h LYS 49 Ca 0.10 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.73 1mg6 h LYS 49 Cb -0.04 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1mg6 h LYS 49 CO -0.03 0.33 -0.39 0.00 -0.57 0.00 0.00 179.45 178.79 1mg6 n TYR 52 N -4.38 0.73 0.12 0.00 4.01 -0.98 -2.72 117.16 113.94 1mg6 n TYR 52 Ca 0.12 0.35 0.03 0.00 -0.16 0.00 0.00 57.90 58.23 1mg6 n TYR 52 Cb 0.02 -1.06 0.40 0.00 -0.31 0.00 0.00 39.34 38.38 1mg6 n TYR 52 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1mg6 h LYS 53 N 0.00 0.23 0.00 -0.72 1.79 -1.43 -2.55 116.57 113.89 1mg6 h LYS 53 Ca 0.00 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1mg6 h LYS 53 Cb 0.12 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 1mg6 h LYS 53 CO 0.00 0.37 0.00 0.36 -1.08 0.00 0.00 179.45 179.10 1mg6 n LYS 57 N -4.28 0.05 -2.60 3.15 2.85 -1.10 -4.65 118.16 111.58 1mg6 n LYS 57 Ca -0.01 0.24 -0.43 0.00 -1.05 0.00 0.00 58.31 57.07 1mg6 n LYS 57 Cb 0.26 -1.59 -0.02 0.00 -0.65 0.00 0.00 35.03 33.03 1mg6 n LYS 57 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1mg6 s LEU 58 N -3.39 3.59 -0.00 -5.58 1.43 -0.96 -4.84 118.68 108.92 1mg6 s LEU 58 Ca 0.08 0.32 0.09 0.00 -1.03 0.00 0.00 54.13 53.59 1mg6 s LEU 58 Cb 0.11 -3.40 -0.11 0.00 0.03 0.00 0.00 46.19 42.81 1mg6 s LEU 58 CO 0.35 -1.33 0.31 0.41 0.23 0.00 0.00 176.35 176.33 1mg6 n THR 59 N 6.78 0.00 -1.34 5.49 -1.04 -1.26 -4.70 114.28 118.21 1mg6 n THR 59 Ca 0.11 -0.26 0.07 0.00 -2.04 0.00 0.00 64.05 61.93 1mg6 n THR 59 Cb 0.49 0.74 0.11 0.00 -1.82 0.00 0.00 70.33 69.85 1mg6 n THR 59 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1mg6 n ASP 60 N -1.43 1.75 -3.65 8.00 8.00 -1.26 -5.07 116.55 122.90 1mg6 n ASP 60 Ca 0.00 -2.87 -0.10 0.00 0.71 0.00 0.00 54.79 52.53 1mg6 n ASP 60 Cb 0.17 -0.38 -0.04 0.00 -0.02 0.00 0.00 41.12 40.85 1mg6 n ASP 60 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mg6 s ASP 67 N -2.83 5.99 0.00 0.00 -1.08 -1.26 -4.94 116.67 112.55 1mg6 s ASP 67 Ca 0.06 -0.98 0.08 0.00 -0.52 0.00 0.00 52.55 51.19 1mg6 s ASP 67 Cb 0.00 -2.12 0.35 0.00 -1.46 0.00 0.00 42.92 39.69 1mg6 s ASP 67 CO -0.08 -0.45 1.22 -1.54 0.52 0.00 0.00 175.17 174.84 1mg6 n SER 68 N 5.11 0.00 -0.10 -0.34 3.41 -1.26 -0.86 113.62 119.58 1mg6 n SER 68 Ca -0.11 0.43 -0.24 0.00 -0.26 0.00 0.00 58.87 58.68 1mg6 n SER 68 Cb 0.46 -0.45 -0.12 0.00 -0.26 0.00 0.00 64.21 63.85 1mg6 n SER 68 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1mg6 n LYS 69 N -1.45 0.62 -0.05 4.33 4.81 -1.26 -3.91 118.16 121.26 1mg6 n LYS 69 Ca 0.02 0.34 -0.01 0.00 -0.87 0.00 0.00 58.31 57.79 1mg6 n LYS 69 Cb 0.09 -1.61 -0.12 0.00 0.02 0.00 0.00 35.03 33.40 1mg6 n LYS 69 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1mg6 n LYS 70 N -3.99 1.18 -2.21 1.64 5.02 -1.15 -2.51 118.16 116.13 1mg6 n LYS 70 Ca -0.42 -0.06 -0.42 0.00 -2.02 0.00 0.00 58.31 55.38 1mg6 n LYS 70 Cb 0.87 -1.37 -0.03 0.00 -0.02 0.00 0.00 35.03 34.48 1mg6 n LYS 70 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1mg6 s ASP 71 N -4.40 6.83 0.24 4.39 -0.00 -0.04 -4.79 116.67 118.89 1mg6 s ASP 71 Ca -0.07 2.07 -0.17 0.00 -0.00 0.00 0.00 52.55 54.38 1mg6 s ASP 71 Cb 0.07 -2.55 -0.08 0.00 -0.00 0.00 0.00 42.92 40.35 1mg6 s ASP 71 CO 0.62 -0.77 0.70 -0.13 -0.00 0.00 0.00 175.17 175.58 1mg6 s ARG 72 N 2.94 4.14 0.14 8.23 1.81 -1.26 -0.17 118.95 134.77 1mg6 s ARG 72 Ca 0.64 0.75 0.00 0.00 -1.72 0.00 0.00 55.73 55.40 1mg6 s ARG 72 Cb -0.30 -2.77 -0.04 0.00 -0.45 0.00 0.00 34.95 31.39 1mg6 s ARG 72 CO 0.25 0.34 0.02 1.52 -0.68 0.00 0.00 175.30 176.75 1mg6 s TYR 73 N -1.64 0.98 -0.13 -0.53 -0.85 -1.26 -4.86 117.35 109.06 1mg6 s TYR 73 Ca 0.45 -1.12 -0.07 0.00 -0.52 0.00 0.00 57.07 55.82 1mg6 s TYR 73 Cb -0.15 -0.57 -0.04 0.00 0.38 0.00 0.00 41.96 41.59 1mg6 s TYR 73 CO 0.20 -0.36 0.11 0.45 -1.52 0.00 0.00 175.55 174.43 1mg6 s SER 74 N -3.09 6.12 0.15 -0.18 0.15 -1.26 -4.94 113.70 110.65 1mg6 s SER 74 Ca 0.22 0.35 -0.18 0.00 0.70 0.00 0.00 55.95 57.04 1mg6 s SER 74 Cb 0.07 -1.97 0.04 0.00 -1.71 0.00 0.00 66.02 62.44 1mg6 s SER 74 CO 0.01 0.35 0.47 -0.72 1.20 0.00 0.00 173.24 174.55 1mg6 s TYR 75 N -0.66 -0.24 0.01 3.44 -0.85 -1.26 -0.19 117.35 117.61 1mg6 s TYR 75 Ca 0.12 -0.07 0.05 0.00 -0.52 0.00 0.00 57.07 56.65 1mg6 s TYR 75 Cb -0.12 0.34 -0.02 0.00 0.38 0.00 0.00 41.96 42.55 1mg6 s TYR 75 CO 0.02 -0.78 -0.15 0.15 -1.52 0.00 0.00 175.55 173.27 1mg6 s LYS 76 N -3.81 1.10 -0.56 -3.49 -0.14 0.16 -4.86 119.74 108.13 1mg6 s LYS 76 Ca 0.04 -0.62 -0.06 0.00 -1.36 0.00 0.00 55.97 53.97 1mg6 s LYS 76 Cb 0.01 -1.09 0.15 0.00 -1.68 0.00 0.00 37.83 35.21 1mg6 s LYS 76 CO -0.10 0.29 0.41 -0.46 -0.76 0.00 0.00 175.35 174.73 1mg6 s TRP 77 N -0.53 3.49 -0.01 3.18 -0.11 -1.26 -0.96 118.94 122.73 1mg6 s TRP 77 Ca 0.04 -2.34 0.02 0.00 1.22 0.00 0.00 56.10 55.04 1mg6 s TRP 77 Cb -0.06 -3.36 -0.00 0.00 -1.50 0.00 0.00 33.47 28.54 1mg6 s TRP 77 CO 0.00 -0.93 -0.06 0.15 -4.62 0.00 0.00 176.95 171.49 1mg6 s LYS 78 N 0.59 0.56 -1.45 5.86 -0.14 -0.69 -4.81 119.74 119.66 1mg6 s LYS 78 Ca 0.12 -0.21 -0.10 0.00 -1.36 0.00 0.00 55.97 54.43 1mg6 s LYS 78 Cb -0.21 -0.55 0.04 0.00 -1.68 0.00 0.00 37.83 35.42 1mg6 s LYS 78 CO -0.03 0.10 1.00 0.09 -0.76 0.00 0.00 175.35 175.75 1mg6 n ASN 79 N 3.10 -5.72 -2.08 2.83 3.02 -1.26 -1.55 115.26 113.60 1mg6 n ASN 79 Ca -0.15 -0.57 -0.20 0.00 -0.03 0.00 0.00 54.58 53.63 1mg6 n ASN 79 Cb 0.57 -4.54 -0.03 0.00 -0.61 0.00 0.00 39.78 35.16 1mg6 n ASN 79 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1mg6 n LYS 80 N -4.69 -1.56 -4.17 3.52 4.76 -1.26 -4.98 118.16 109.77 1mg6 n LYS 80 Ca 0.00 1.06 -0.17 0.00 -2.87 0.00 0.00 58.31 56.33 1mg6 n LYS 80 Cb 0.56 -5.60 -0.12 0.00 -1.84 0.00 0.00 35.03 28.03 1mg6 n LYS 80 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1mg6 s ALA 81 N -2.93 1.14 -0.23 7.82 0.00 -0.59 -5.10 121.76 121.86 1mg6 s ALA 81 Ca 0.00 -1.03 -0.10 0.00 0.00 0.00 0.00 51.96 50.83 1mg6 s ALA 81 Cb 0.00 -0.07 -0.05 0.00 0.00 0.00 0.00 23.12 23.01 1mg6 s ALA 81 CO 0.00 0.12 0.13 0.42 0.00 0.00 0.00 175.76 176.43 1mg6 s ILE 82 N -1.52 5.12 -0.18 0.00 1.01 -1.26 -1.71 121.20 122.65 1mg6 s ILE 82 Ca -0.01 0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.74 1mg6 s ILE 82 Cb -0.09 -3.38 0.04 0.00 0.01 0.00 0.00 42.46 39.05 1mg6 s ILE 82 CO 0.02 0.36 -0.08 -0.69 0.00 0.00 0.00 174.94 174.55 1mg6 s VAL 83 N 1.04 1.41 0.15 2.92 1.01 -0.14 -4.98 120.40 121.81 1mg6 s VAL 83 Ca 0.06 -0.85 -0.31 0.00 0.00 0.00 0.00 61.98 60.89 1mg6 s VAL 83 Cb -0.14 -1.53 -0.09 0.00 0.00 0.00 0.00 36.38 34.63 1mg6 s VAL 83 CO 0.04 0.15 1.40 0.00 0.00 0.00 0.00 175.10 176.69 1mg6 n GLY 86 N 3.14 -0.34 3.56 0.00 0.00 0.74 -4.92 105.19 107.38 1mg6 n GLY 86 Ca 0.10 -1.68 -0.41 0.00 0.00 0.00 0.00 46.02 44.03 1mg6 n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mg6 s LYS 87 N 0.42 3.66 0.35 1.61 1.02 -1.26 -4.93 119.74 120.61 1mg6 s LYS 87 Ca 0.00 -1.30 0.09 0.00 0.02 0.00 0.00 55.97 54.78 1mg6 s LYS 87 Cb 0.00 -5.39 -0.06 0.00 -0.52 0.00 0.00 37.83 31.86 1mg6 s LYS 87 CO 0.00 -2.24 0.03 -0.80 -0.92 0.00 0.00 175.35 171.42 1mg6 s ASN 88 N 4.86 4.17 0.65 2.83 -0.87 -1.26 -4.88 114.94 120.44 1mg6 s ASN 88 Ca 0.48 -1.04 -0.15 0.00 -1.57 0.00 0.00 52.86 50.59 1mg6 s ASN 88 Cb 0.01 -0.51 -0.01 0.00 -0.02 0.00 0.00 41.25 40.72 1mg6 s ASN 88 CO -0.06 -0.29 1.09 -1.10 -2.57 0.00 0.00 177.10 174.17 1mg6 s GLN 89 N -3.74 2.91 0.17 -0.60 -1.52 -1.26 -4.67 119.66 110.95 1mg6 s GLN 89 Ca 0.35 1.31 -0.27 0.00 -1.95 0.00 0.00 55.36 54.81 1mg6 s GLN 89 Cb 0.01 -1.97 -0.00 0.00 -0.22 0.00 0.00 33.01 30.83 1mg6 s GLN 89 CO 0.20 -1.15 1.48 -2.30 -0.25 0.00 0.00 175.29 173.26 1mg6 n PRO 90 N -2.40 -0.38 -0.28 2.91 -0.02 -1.26 -0.85 135.00 132.72 1mg6 n PRO 90 Ca 0.10 1.45 -0.03 0.00 -2.02 0.00 0.00 63.50 63.00 1mg6 n PRO 90 Cb 0.52 -2.14 0.09 0.00 -0.02 0.00 0.00 33.50 31.95 1mg6 n PRO 90 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1mg6 h MET 92 N 0.99 0.57 -0.31 0.00 2.86 -1.61 -1.67 114.93 115.76 1mg6 h MET 92 Ca 0.30 -0.18 -0.15 0.00 -2.06 0.00 0.00 59.70 57.61 1mg6 h MET 92 Cb -0.03 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 1mg6 h MET 92 CO -0.10 0.70 -0.42 0.37 1.06 0.00 0.00 176.91 178.53 1mg6 h GLN 93 N 0.52 0.78 -0.59 1.72 5.75 -0.43 -0.58 115.11 122.27 1mg6 h GLN 93 Ca 0.09 -0.42 -0.07 0.00 -0.15 0.00 0.00 58.65 58.10 1mg6 h GLN 93 Cb 0.56 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.10 1mg6 h GLN 93 CO 0.04 1.04 0.09 0.93 -2.65 0.00 0.00 178.83 178.28 1mg6 h GLU 94 N 0.63 0.96 -0.25 1.69 5.08 -0.93 -0.60 114.58 121.16 1mg6 h GLU 94 Ca 0.05 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 1mg6 h GLU 94 Cb 0.98 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 1mg6 h GLU 94 CO 0.09 0.89 0.08 1.98 -1.00 0.00 0.00 179.01 181.05 1mg6 h MET 95 N 0.91 0.40 -0.85 2.33 4.05 -1.07 -1.59 114.93 119.10 1mg6 h MET 95 Ca 0.18 -0.09 0.02 0.00 -0.28 0.00 0.00 59.70 59.54 1mg6 h MET 95 Cb 0.40 -0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 31.10 1mg6 h MET 95 CO 0.01 0.47 0.55 0.00 0.23 0.00 0.00 176.91 178.18 1mg6 h GLU 97 N 1.10 0.19 -0.02 0.00 4.39 -0.96 0.38 114.58 119.68 1mg6 h GLU 97 Ca 0.33 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 59.92 1mg6 h GLU 97 Cb -0.06 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.60 1mg6 h GLU 97 CO -0.09 0.63 0.00 0.00 -1.16 0.00 0.00 179.01 178.39 1mg6 h ASP 99 N -0.20 0.74 -0.30 0.00 3.32 -1.07 -2.28 116.42 116.62 1mg6 h ASP 99 Ca 0.00 -0.10 0.02 0.00 0.02 0.00 0.00 57.03 56.98 1mg6 h ASP 99 Cb 0.23 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 1mg6 h ASP 99 CO 0.00 0.63 0.14 0.50 -1.72 0.00 0.00 179.24 178.79 1mg6 h LYS 100 N 0.80 0.29 -0.56 3.56 3.64 -0.84 -0.22 116.57 123.24 1mg6 h LYS 100 Ca 0.21 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.52 1mg6 h LYS 100 Cb 0.06 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 1mg6 h LYS 100 CO -0.03 0.19 0.14 0.00 -2.27 0.00 0.00 179.45 177.48 1mg6 h ALA 101 N 1.16 1.19 -0.11 5.00 0.00 -1.30 -2.45 119.26 122.75 1mg6 h ALA 101 Ca 0.13 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1mg6 h ALA 101 Cb 0.06 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1mg6 h ALA 101 CO -0.10 0.56 0.04 0.35 0.00 0.00 0.00 179.25 180.10 1mg6 h PHE 102 N 0.83 0.17 -0.88 0.00 3.57 -0.83 -0.65 116.94 119.15 1mg6 h PHE 102 Ca 0.18 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.69 1mg6 h PHE 102 Cb 0.29 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 38.94 1mg6 h PHE 102 CO 0.02 0.28 0.58 0.00 -2.23 0.00 0.00 178.31 176.96 1mg6 h ALA 103 N 0.87 1.40 -0.33 2.41 0.00 -0.88 -1.18 119.26 121.55 1mg6 h ALA 103 Ca 0.04 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 1mg6 h ALA 103 Cb 0.18 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1mg6 h ALA 103 CO -0.00 0.54 -0.47 0.82 0.00 0.00 0.00 179.25 180.15 1mg6 h ILE 104 N 1.16 1.28 -0.79 0.00 2.04 -1.29 -2.80 117.51 117.10 1mg6 h ILE 104 Ca 0.33 -1.65 0.02 0.00 1.00 0.00 0.00 64.86 64.57 1mg6 h ILE 104 Cb -0.09 1.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 1mg6 h ILE 104 CO -0.08 0.54 0.51 0.00 0.00 0.00 0.00 178.15 179.13 1mg6 h LEU 106 N 1.02 0.78 -0.63 0.00 3.38 -1.17 -2.65 115.31 116.03 1mg6 h LEU 106 Ca 0.31 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1mg6 h LEU 106 Cb -0.04 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 1mg6 h LEU 106 CO -0.09 0.77 0.27 -0.09 0.09 0.00 0.00 178.44 179.38 1mg6 h ARG 107 N 0.74 0.93 0.00 1.13 1.12 -1.19 -2.39 114.38 114.73 1mg6 h ARG 107 Ca 0.18 -0.16 -0.01 0.00 -1.11 0.00 0.00 59.98 58.87 1mg6 h ARG 107 Cb 0.26 -0.16 -0.00 0.00 -0.01 0.00 0.00 29.97 30.06 1mg6 h ARG 107 CO -0.01 0.78 -0.06 1.49 -3.11 0.00 0.00 179.97 179.06 1mg6 h GLU 108 N 0.88 0.00 -0.29 0.20 4.57 -1.03 -2.88 114.58 116.03 1mg6 h GLU 108 Ca 0.21 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.35 1mg6 h GLU 108 Cb 0.18 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.75 1mg6 h GLU 108 CO -0.02 0.06 0.00 0.09 -1.18 0.00 0.00 179.01 177.96 1mg6 n ASN 109 N -3.73 3.70 0.25 1.04 3.02 -0.92 -4.59 115.26 114.03 1mg6 n ASN 109 Ca -0.02 -3.14 0.11 0.00 -0.03 0.00 0.00 54.58 51.50 1mg6 n ASN 109 Cb 0.15 -0.57 0.67 0.00 -0.61 0.00 0.00 39.78 39.42 1mg6 n ASN 109 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1mg6 h LEU 110 N 1.68 0.00 -0.54 3.41 3.38 -1.27 -2.56 115.31 119.42 1mg6 h LEU 110 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1mg6 h LEU 110 Cb 1.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.26 1mg6 h LEU 110 CO 0.27 0.15 0.00 -0.90 0.09 0.00 0.00 178.44 178.04 1mg6 n ASP 111 N -3.75 0.41 -0.04 -0.43 5.75 -1.26 -2.53 116.55 114.70 1mg6 n ASP 111 Ca -0.02 0.62 0.02 0.00 -0.01 0.00 0.00 54.79 55.40 1mg6 n ASP 111 Cb 0.26 -0.70 0.03 0.00 -1.03 0.00 0.00 41.12 39.68 1mg6 n ASP 111 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1mg6 n THR 112 N -1.97 1.01 -1.69 2.12 -2.24 -0.97 -5.04 114.28 105.50 1mg6 n THR 112 Ca 0.02 -1.10 -0.44 0.00 -2.27 0.00 0.00 64.05 60.26 1mg6 n THR 112 Cb 0.17 0.40 -0.04 0.00 -2.10 0.00 0.00 70.33 68.76 1mg6 n THR 112 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mg6 n TYR 113 N -0.62 2.49 -3.70 4.78 4.19 -1.05 -4.91 117.16 118.34 1mg6 n TYR 113 Ca 0.04 0.09 -0.38 0.00 3.31 0.00 0.00 57.90 60.95 1mg6 n TYR 113 Cb 0.40 -2.63 -0.12 0.00 0.49 0.00 0.00 39.34 37.47 1mg6 n TYR 113 CO 0.00 0.00 0.00 1.21 0.91 0.00 0.00 176.86 178.98 1mg6 s ASN 114 N 1.68 5.38 0.45 2.98 3.04 -1.26 -4.98 114.94 122.24 1mg6 s ASN 114 Ca 0.80 -0.75 0.13 0.00 0.04 0.00 0.00 52.86 53.07 1mg6 s ASN 114 Cb -0.59 -1.94 1.05 0.00 -1.54 0.00 0.00 41.25 38.23 1mg6 s ASN 114 CO 0.37 -0.24 2.05 0.07 -3.04 0.00 0.00 177.10 176.31 1mg6 h LYS 115 N 8.30 0.32 0.00 0.43 2.10 -2.02 -0.67 116.57 125.04 1mg6 h LYS 115 Ca -0.30 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.33 1mg6 h LYS 115 Cb 1.12 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.38 1mg6 h LYS 115 CO 0.62 0.21 0.00 0.66 -2.00 0.00 0.00 179.45 178.94 1mg6 h SER 116 N 0.33 0.00 0.23 7.07 4.64 -1.98 -2.57 113.55 121.26 1mg6 h SER 116 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1mg6 h SER 116 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1mg6 h SER 116 CO -0.04 0.00 -0.68 0.49 -0.87 0.00 0.00 176.83 175.73 1mg6 n PHE 117 N -2.96 0.00 -0.10 4.77 3.72 -0.27 -4.50 117.46 118.13 1mg6 n PHE 117 Ca 0.00 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.34 1mg6 n PHE 117 Cb 0.27 -0.12 -0.01 0.00 -0.94 0.00 0.00 39.48 38.69 1mg6 n PHE 117 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 1mg6 h ARG 118 N 0.30 -0.20 -3.33 -1.08 2.43 -1.31 -1.17 114.38 110.01 1mg6 h ARG 118 Ca 0.00 0.01 -0.67 0.00 -0.81 0.00 0.00 59.98 58.51 1mg6 h ARG 118 Cb 0.52 0.05 -0.38 0.00 -0.42 0.00 0.00 29.97 29.74 1mg6 h ARG 118 CO 0.00 -0.14 -0.35 0.71 -1.51 0.00 0.00 179.97 178.69 1mg6 s TYR 119 N -6.07 3.60 0.28 2.20 2.02 -1.26 -2.29 117.35 115.83 1mg6 s TYR 119 Ca -0.15 -3.04 -0.11 0.00 -0.37 0.00 0.00 57.07 53.40 1mg6 s TYR 119 Cb 0.14 -3.05 -0.07 0.00 -0.40 0.00 0.00 41.96 38.57 1mg6 s TYR 119 CO 0.69 -0.72 0.62 -1.58 -1.57 0.00 0.00 175.55 172.99 1mg6 s HIS 120 N -0.91 3.42 -1.24 2.71 2.46 -0.92 -5.00 115.29 115.79 1mg6 s HIS 120 Ca 0.23 0.96 -0.16 0.00 0.47 0.00 0.00 55.06 56.56 1mg6 s HIS 120 Cb -0.12 -2.34 0.12 0.00 -0.13 0.00 0.00 32.58 30.10 1mg6 s HIS 120 CO -0.10 0.18 1.58 -0.51 -2.47 0.00 0.00 174.74 173.42 1mg6 s LEU 121 N -3.02 4.40 0.36 8.88 1.43 -1.26 -4.85 118.68 124.62 1mg6 s LEU 121 Ca 0.49 -2.67 0.13 0.00 -1.03 0.00 0.00 54.13 51.05 1mg6 s LEU 121 Cb -0.11 -2.49 0.95 0.00 0.03 0.00 0.00 46.19 44.57 1mg6 s LEU 121 CO 0.22 -0.98 1.79 0.11 0.23 0.00 0.00 176.35 177.72 1mg6 h LYS 122 N 7.45 0.53 0.00 1.70 1.57 -1.91 -0.28 116.57 125.63 1mg6 h LYS 122 Ca 0.38 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1mg6 h LYS 122 Cb 0.88 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.07 1mg6 h LYS 122 CO 1.36 0.35 0.04 -1.35 -0.57 0.00 0.00 179.45 179.28 1mg6 h PRO 123 N 0.55 0.00 -0.00 3.15 0.11 -1.98 0.54 132.00 134.37 1mg6 h PRO 123 Ca 0.56 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.67 1mg6 h PRO 123 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1mg6 h PRO 123 CO -0.31 0.00 -0.19 -1.13 -0.21 0.00 0.00 178.00 176.16 1mg6 n SER 124 N -2.79 0.31 -4.77 -2.05 3.41 -0.11 -4.90 113.62 102.72 1mg6 n SER 124 Ca -0.02 -0.08 -0.36 0.00 -0.26 0.00 0.00 58.87 58.14 1mg6 n SER 124 Cb 0.10 -0.13 0.01 0.00 -0.26 0.00 0.00 64.21 63.93 1mg6 n SER 124 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1mg6 s LYS 128 N -3.01 3.25 0.35 0.00 3.01 -1.26 -4.97 119.74 117.10 1mg6 s LYS 128 Ca 0.70 -0.50 -0.28 0.00 -1.01 0.00 0.00 55.97 54.88 1mg6 s LYS 128 Cb -0.29 -2.95 -0.10 0.00 -1.01 0.00 0.00 37.83 33.49 1mg6 s LYS 128 CO 0.34 0.61 1.24 0.21 0.51 0.00 0.00 175.35 178.26 1mg6 s LYS 129 N -2.35 4.28 0.18 1.68 2.20 -1.26 -0.95 119.74 123.53 1mg6 s LYS 129 Ca 0.32 2.06 0.04 0.00 -0.36 0.00 0.00 55.97 58.02 1mg6 s LYS 129 Cb -0.13 -2.96 -0.03 0.00 -1.51 0.00 0.00 37.83 33.20 1mg6 s LYS 129 CO 0.24 -0.19 0.31 -0.08 -0.36 0.00 0.00 175.35 175.27 1mg6 s THR 130 N -1.22 5.27 -0.82 3.43 -1.32 -1.26 -4.67 115.64 115.05 1mg6 s THR 130 Ca 0.51 -0.82 0.22 0.00 -1.21 0.00 0.00 61.69 60.39 1mg6 s THR 130 Cb -0.36 -3.77 -0.22 0.00 -1.51 0.00 0.00 72.50 66.63 1mg6 s THR 130 CO 0.47 -0.19 0.88 -1.54 -2.21 0.00 0.00 174.62 172.04 1mg6 n SER 131 N -0.88 0.78 -4.75 8.08 3.41 -1.26 -4.95 113.62 114.06 1mg6 n SER 131 Ca -0.08 -0.74 -0.41 0.00 -0.26 0.00 0.00 58.87 57.38 1mg6 n SER 131 Cb 0.55 1.09 -0.02 0.00 -0.26 0.00 0.00 64.21 65.57 1mg6 n SER 131 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1mg6 s GLU 132 N -3.10 4.29 0.45 4.33 2.12 -1.26 -5.02 118.70 120.52 1mg6 s GLU 132 Ca 0.05 2.27 0.01 0.00 0.36 0.00 0.00 54.97 57.67 1mg6 s GLU 132 Cb 0.16 -3.10 0.00 0.00 0.26 0.00 0.00 34.13 31.45 1mg6 s GLU 132 CO 0.86 -0.35 0.66 -0.65 -0.54 0.00 0.00 175.26 175.25 1mg6 s GLN 133 N -0.82 3.00 0.00 4.30 -0.21 -1.26 -5.16 119.66 119.51 1mg6 s GLN 133 Ca 0.56 -0.59 0.26 0.00 0.02 0.00 0.00 55.36 55.61 1mg6 s GLN 133 Cb -0.41 -2.58 1.54 0.00 1.00 0.00 0.00 33.01 32.56 1mg6 s GLN 133 CO 0.46 -0.29 1.89 0.00 -2.12 0.00 0.00 175.29 175.23