#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jia h LEU 2 N 0.00 -0.12 -0.77 0.27 5.85 -1.58 -1.13 115.31 117.82 1jia h LEU 2 Ca 0.00 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1jia h LEU 2 Cb 0.00 0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 1jia h LEU 2 CO 0.00 -0.15 0.50 -0.07 -0.34 0.00 0.00 178.44 178.38 1jia h LEU 3 N 0.18 0.89 -0.75 2.25 4.07 -1.98 -0.46 115.31 119.52 1jia h LEU 3 Ca 0.49 -0.03 -0.04 0.00 0.08 0.00 0.00 57.88 58.37 1jia h LEU 3 Cb 0.92 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 42.40 1jia h LEU 3 CO -0.64 0.66 0.31 1.56 -1.08 0.00 0.00 178.44 179.25 1jia h GLN 4 N 1.04 1.11 -0.52 1.13 4.20 -1.64 -0.87 115.11 119.55 1jia h GLN 4 Ca 0.28 -0.19 0.01 0.00 0.06 0.00 0.00 58.65 58.81 1jia h GLN 4 Cb -0.10 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 27.47 1jia h GLN 4 CO -0.06 0.90 0.34 0.35 -0.67 0.00 0.00 178.83 179.69 1jia h PHE 5 N 1.07 0.64 -0.54 2.96 3.57 -0.96 -2.17 116.94 121.52 1jia h PHE 5 Ca 0.25 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.72 1jia h PHE 5 Cb 0.19 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 1jia h PHE 5 CO 0.02 0.40 0.16 0.00 -2.23 0.00 0.00 178.31 176.65 1jia h ARG 6 N 0.69 0.80 -0.35 1.11 3.08 -0.56 -1.57 114.38 117.58 1jia h ARG 6 Ca 0.20 -0.15 -0.05 0.00 0.07 0.00 0.00 59.98 60.05 1jia h ARG 6 Cb -0.06 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.85 1jia h ARG 6 CO -0.05 0.71 0.01 -0.22 -1.07 0.00 0.00 179.97 179.35 1jia h LYS 7 N 0.78 0.61 -0.64 0.04 3.64 -0.72 -1.19 116.57 119.10 1jia h LYS 7 Ca 0.18 -0.19 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1jia h LYS 7 Cb 0.25 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 1jia h LYS 7 CO -0.01 0.72 0.40 0.52 -2.27 0.00 0.00 179.45 178.81 1jia h MET 8 N 0.43 0.77 -0.25 1.90 2.86 -1.22 -1.12 114.93 118.30 1jia h MET 8 Ca 0.10 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 1jia h MET 8 Cb 0.43 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 1jia h MET 8 CO 0.02 0.51 0.11 0.82 1.06 0.00 0.00 176.91 179.42 1jia h ILE 9 N 0.80 1.16 -0.25 -1.22 2.04 -1.02 -0.68 117.51 118.34 1jia h ILE 9 Ca 0.25 -0.49 0.02 0.00 1.00 0.00 0.00 64.86 65.65 1jia h ILE 9 Cb -0.00 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 1jia h ILE 9 CO -0.10 0.16 0.11 0.50 0.00 0.00 0.00 178.15 178.83 1jia h LYS 10 N 0.26 0.24 -0.53 2.37 1.63 -0.82 -1.14 116.57 118.58 1jia h LYS 10 Ca 0.08 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.85 1jia h LYS 10 Cb 0.16 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.71 1jia h LYS 10 CO -0.01 0.16 0.24 -0.22 -3.45 0.00 0.00 179.45 176.17 1jia h LYS 11 N 0.25 0.74 0.08 1.90 1.63 -1.13 0.60 116.57 120.64 1jia h LYS 11 Ca 0.11 -0.09 -0.29 0.00 -0.85 0.00 0.00 60.65 59.52 1jia h LYS 11 Cb 0.05 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 31.52 1jia h LYS 11 CO -0.09 0.59 -1.50 0.52 -3.45 0.00 0.00 179.45 175.52 1jia h MET 12 N 0.74 0.17 0.00 1.90 2.86 -0.77 -3.38 114.93 116.44 1jia h MET 12 Ca 0.18 -0.29 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1jia h MET 12 Cb 0.10 0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.87 1jia h MET 12 CO -0.02 0.99 -1.12 0.25 1.06 0.00 0.00 176.91 178.07 1jia n THR 13 N -3.36 0.00 0.00 2.22 -2.24 -0.46 -4.73 114.28 105.70 1jia n THR 13 Ca -0.15 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 1jia n THR 13 Cb 1.03 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 69.83 1jia n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jia n GLY 14 N 1.56 2.60 3.86 3.38 0.00 0.21 -5.00 105.19 111.79 1jia n GLY 14 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1jia n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jia s LYS 16 N 0.00 3.88 -0.23 1.61 1.02 -1.26 -4.96 119.74 119.80 1jia s LYS 16 Ca 0.00 0.61 -0.28 0.00 0.02 0.00 0.00 55.97 56.31 1jia s LYS 16 Cb 0.00 -2.37 0.01 0.00 -0.52 0.00 0.00 37.83 34.95 1jia s LYS 16 CO 0.00 0.00 1.00 -2.00 -0.92 0.00 0.00 175.35 173.43 1jia s GLU 17 N -3.57 4.25 0.17 1.68 2.56 -1.26 -3.91 118.70 118.61 1jia s GLU 17 Ca 0.53 1.28 -0.11 0.00 0.00 0.00 0.00 54.97 56.67 1jia s GLU 17 Cb -0.10 -3.64 0.07 0.00 2.00 0.00 0.00 34.13 32.46 1jia s GLU 17 CO 0.26 -0.60 1.69 -1.35 -0.56 0.00 0.00 175.26 174.70 1jia h PRO 18 N 7.49 0.94 0.23 4.30 0.11 -1.93 -3.18 132.00 139.96 1jia h PRO 18 Ca -0.20 -0.22 -0.01 0.00 0.11 0.00 0.00 66.00 65.68 1jia h PRO 18 Cb 1.07 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 1jia h PRO 18 CO 0.96 0.85 -0.16 0.28 -0.21 0.00 0.00 178.00 179.72 1jia h VAL 19 N 0.85 0.00 -0.49 3.15 2.07 -1.94 0.19 116.25 120.08 1jia h VAL 19 Ca 0.19 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.79 1jia h VAL 19 Cb 0.33 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.03 1jia h VAL 19 CO -0.00 0.00 0.09 -0.37 0.02 0.00 0.00 177.57 177.31 1jia h VAL 20 N -0.38 0.72 0.00 2.57 -1.51 -1.99 0.28 116.25 115.94 1jia h VAL 20 Ca -0.03 -0.08 -0.18 0.00 -1.23 0.00 0.00 66.70 65.18 1jia h VAL 20 Cb 0.31 0.47 -0.03 0.00 -2.13 0.00 0.00 31.29 29.91 1jia h VAL 20 CO 0.02 0.04 -0.86 0.28 -1.23 0.00 0.00 177.57 175.82 1jia h SER 21 N 0.23 0.00 0.00 4.19 0.02 -1.59 -3.41 113.55 112.99 1jia h SER 21 Ca 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1jia h SER 21 Cb 0.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1jia h SER 21 CO -0.33 0.86 -0.85 -1.22 -1.14 0.00 0.00 176.83 174.16 1jia n TYR 22 N -3.46 0.00 0.22 3.45 4.01 0.67 -4.64 117.16 117.41 1jia n TYR 22 Ca -0.00 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.88 1jia n TYR 22 Cb 0.84 0.00 0.72 0.00 -0.31 0.00 0.00 39.34 40.59 1jia n TYR 22 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1jia h ALA 23 N 0.00 1.00 0.00 -0.72 0.00 -0.33 -2.90 119.26 116.31 1jia h ALA 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jia h ALA 23 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1jia h ALA 23 CO 0.00 0.00 -0.00 1.19 0.00 0.00 0.00 179.25 180.44 1jia n PHE 24 N -2.46 0.00 -1.98 0.00 3.72 -1.26 -3.15 117.46 112.34 1jia n PHE 24 Ca -0.01 -0.28 -0.42 0.00 -0.05 0.00 0.00 57.45 56.68 1jia n PHE 24 Cb 0.06 -0.03 -0.03 0.00 -0.94 0.00 0.00 39.48 38.54 1jia n PHE 24 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 1jia s TYR 25 N -0.57 3.06 0.00 1.38 6.14 -1.09 -3.22 117.35 123.04 1jia s TYR 25 Ca 0.00 0.67 0.00 0.00 0.64 0.00 0.00 57.07 58.38 1jia s TYR 25 Cb 0.00 -3.88 0.00 0.00 0.42 0.00 0.00 41.96 38.50 1jia s TYR 25 CO 0.00 -3.25 0.00 0.41 0.64 0.00 0.00 175.55 173.35 1jia n GLY 26 N 3.72 1.21 0.03 8.97 0.00 0.06 -2.00 105.19 117.17 1jia n GLY 26 Ca 0.13 -0.58 0.12 0.00 0.00 0.00 0.00 46.02 45.70 1jia n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jia n TYR 28 N -1.83 0.00 0.17 0.00 4.02 -1.25 -2.63 117.16 115.64 1jia n TYR 28 Ca 0.04 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 57.95 1jia n TYR 28 Cb 0.39 0.00 0.29 0.00 -0.02 0.00 0.00 39.34 40.00 1jia n TYR 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1jia n GLY 30 N -0.03 -2.37 3.77 0.00 0.00 -1.19 -4.70 105.19 100.67 1jia n GLY 30 Ca -0.01 -1.50 -0.40 0.00 0.00 0.00 0.00 46.02 44.11 1jia n GLY 30 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jia s SER 31 N -2.54 6.33 0.50 1.61 0.01 -1.26 -4.65 113.70 113.69 1jia s SER 31 Ca 0.25 2.78 0.00 0.00 1.31 0.00 0.00 55.95 60.29 1jia s SER 31 Cb -0.02 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.56 1jia s SER 31 CO 0.19 -0.85 0.00 0.61 0.41 0.00 0.00 173.24 173.60 1jia n GLY 32 N 0.64 0.03 0.00 3.44 0.00 -1.26 -4.99 105.19 103.06 1jia n GLY 32 Ca 0.03 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1jia n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jia n GLY 33 N 0.00 4.16 3.36 -0.02 0.00 -1.26 -4.73 105.19 106.70 1jia n GLY 33 Ca 0.00 -0.58 -0.10 0.00 0.00 0.00 0.00 46.02 45.33 1jia n GLY 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jia s ARG 34 N -2.45 1.14 1.04 1.61 3.00 -1.08 -5.00 118.95 117.22 1jia s ARG 34 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 55.73 55.00 1jia s ARG 34 Cb 0.00 0.48 0.00 0.00 0.00 0.00 0.00 34.95 35.43 1jia s ARG 34 CO 0.00 -0.45 0.00 0.41 0.00 0.00 0.00 175.30 175.26 1jia n GLY 35 N -0.25 -1.38 3.63 -3.53 0.00 -1.13 -4.67 105.19 97.85 1jia n GLY 35 Ca -0.15 -1.64 -0.30 0.00 0.00 0.00 0.00 46.02 43.94 1jia n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jia s LYS 36 N 0.00 2.31 0.03 1.61 -2.85 -1.26 -1.57 119.74 118.02 1jia s LYS 36 Ca 0.00 -0.95 -0.37 0.00 -1.00 0.00 0.00 55.97 53.64 1jia s LYS 36 Cb 0.00 -2.40 -0.17 0.00 -2.06 0.00 0.00 37.83 33.20 1jia s LYS 36 CO 0.00 0.52 1.39 -2.30 0.10 0.00 0.00 175.35 175.06 1jia n PRO 37 N 0.60 1.12 0.20 1.78 -0.02 -1.26 -4.80 135.00 132.62 1jia n PRO 37 Ca -0.12 0.41 0.07 0.00 -2.02 0.00 0.00 63.50 61.83 1jia n PRO 37 Cb 0.52 -2.05 0.36 0.00 -0.02 0.00 0.00 33.50 32.31 1jia n PRO 37 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1jia h LYS 38 N 4.91 0.00 0.00 -0.52 1.79 -1.97 -3.48 116.57 117.30 1jia h LYS 38 Ca -0.48 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 1jia h LYS 38 Cb 1.34 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.99 1jia h LYS 38 CO 0.80 0.34 0.00 -0.40 -1.08 0.00 0.00 179.45 179.11 1jia n ASP 39 N -3.50 0.00 -0.00 0.86 5.75 -1.26 -5.04 116.55 113.37 1jia n ASP 39 Ca -0.00 -0.62 -0.17 0.00 -0.01 0.00 0.00 54.79 53.99 1jia n ASP 39 Cb 0.49 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.47 1jia n ASP 39 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1jia h ALA 40 N 2.00 0.08 -0.98 2.12 0.00 -1.93 -1.55 119.26 119.00 1jia h ALA 40 Ca 0.00 -0.56 0.12 0.00 0.00 0.00 0.00 54.91 54.47 1jia h ALA 40 Cb 0.00 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.74 1jia h ALA 40 CO 0.00 0.34 0.62 1.15 0.00 0.00 0.00 179.25 181.36 1jia h THR 41 N -0.10 0.92 -0.13 0.00 2.02 -1.91 -0.62 112.91 113.09 1jia h THR 41 Ca -0.07 -0.33 -0.18 0.00 0.77 0.00 0.00 66.41 66.61 1jia h THR 41 Cb 1.28 -0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1jia h THR 41 CO 0.11 0.18 -0.66 -0.78 0.37 0.00 0.00 175.52 174.74 1jia h ASP 42 N 0.96 0.57 0.04 4.18 3.58 -1.88 -1.61 116.42 122.27 1jia h ASP 42 Ca 0.48 -0.34 -0.05 0.00 0.42 0.00 0.00 57.03 57.53 1jia h ASP 42 Cb 0.50 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 1jia h ASP 42 CO -0.25 1.07 -0.16 -0.09 -2.88 0.00 0.00 179.24 176.94 1jia h ARG 43 N 0.36 0.24 -0.39 0.28 2.43 -0.53 0.11 114.38 116.87 1jia h ARG 43 Ca -0.02 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.13 1jia h ARG 43 Cb 1.22 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.70 1jia h ARG 43 CO 0.12 0.40 0.19 0.00 -1.51 0.00 0.00 179.97 179.17 1jia h PHE 46 N 1.25 0.38 -0.78 0.00 3.57 -0.13 -0.62 116.94 120.60 1jia h PHE 46 Ca 0.32 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.78 1jia h PHE 46 Cb -0.05 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.54 1jia h PHE 46 CO 0.01 0.39 0.41 0.28 -2.23 0.00 0.00 178.31 177.16 1jia h VAL 47 N 0.25 1.24 -0.63 1.41 2.07 -0.99 -1.06 116.25 118.53 1jia h VAL 47 Ca 0.08 -0.62 -0.04 0.00 0.82 0.00 0.00 66.70 66.94 1jia h VAL 47 Cb 0.17 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.14 1jia h VAL 47 CO -0.01 0.27 0.23 -0.74 0.02 0.00 0.00 177.57 177.34 1jia h HIS 48 N 1.08 0.99 -0.34 1.57 -0.00 -1.09 0.34 115.15 117.70 1jia h HIS 48 Ca 0.27 -0.09 0.01 0.00 -0.00 0.00 0.00 60.37 60.57 1jia h HIS 48 Cb 0.06 -0.29 -0.02 0.00 -0.00 0.00 0.00 27.41 27.16 1jia h HIS 48 CO 0.00 0.79 0.20 -0.44 -0.00 0.00 0.00 177.93 178.49 1jia h ASP 49 N 0.90 0.34 -0.36 3.26 3.32 -0.85 -1.46 116.42 121.57 1jia h ASP 49 Ca 0.21 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 1jia h ASP 49 Cb 0.24 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1jia h ASP 49 CO -0.01 0.25 0.22 0.00 -1.72 0.00 0.00 179.24 177.97 1jia h TYR 52 N 0.17 0.57 -0.21 0.00 -1.99 -1.19 -2.72 116.97 111.59 1jia h TYR 52 Ca 0.05 -0.07 -0.02 0.00 2.00 0.00 0.00 58.73 60.69 1jia h TYR 52 Cb 0.55 -0.16 -0.01 0.00 2.00 0.00 0.00 36.73 39.11 1jia h TYR 52 CO 0.06 0.58 0.02 1.49 -0.00 0.00 0.00 178.16 180.31 1jia h GLU 53 N 0.51 0.30 0.00 4.88 4.81 -1.22 -2.53 114.58 121.33 1jia h GLU 53 Ca 0.10 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1jia h GLU 53 Cb 0.39 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1jia h GLU 53 CO 0.02 0.31 0.00 1.63 -0.73 0.00 0.00 179.01 180.24 1jia n LYS 54 N -4.39 0.58 -3.36 1.92 5.02 -1.02 -4.80 118.16 112.11 1jia n LYS 54 Ca 0.00 0.01 -0.39 0.00 -2.02 0.00 0.00 58.31 55.91 1jia n LYS 54 Cb 0.17 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.60 1jia n LYS 54 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1jia s VAL 55 N -2.38 5.16 0.17 -0.18 1.01 -0.96 -5.07 120.40 118.15 1jia s VAL 55 Ca 0.33 0.68 0.06 0.00 0.00 0.00 0.00 61.98 63.04 1jia s VAL 55 Cb 0.19 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.80 1jia s VAL 55 CO 0.40 0.18 -0.12 0.42 0.00 0.00 0.00 175.10 175.98 1jia s THR 56 N 1.83 1.42 0.00 3.92 -4.23 -1.26 -4.83 115.64 112.49 1jia s THR 56 Ca 0.18 -2.12 0.00 0.00 -1.18 0.00 0.00 61.69 58.57 1jia s THR 56 Cb -0.15 -1.92 0.00 0.00 1.34 0.00 0.00 72.50 71.76 1jia s THR 56 CO 0.09 -0.67 0.00 0.61 -0.54 0.00 0.00 174.62 174.11 1jia n GLY 59 N -0.26 1.82 1.93 3.99 0.00 -1.26 -4.90 105.19 106.51 1jia n GLY 59 Ca -0.09 -0.29 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 1jia n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jia s ASP 67 N -2.32 4.82 0.38 0.00 -1.08 -1.26 -5.00 116.67 112.22 1jia s ASP 67 Ca 0.20 -1.43 0.18 0.00 -0.52 0.00 0.00 52.55 50.98 1jia s ASP 67 Cb 0.00 -1.68 1.12 0.00 -1.46 0.00 0.00 42.92 40.90 1jia s ASP 67 CO 0.14 -0.28 1.72 -0.65 0.52 0.00 0.00 175.17 176.62 1jia h PRO 68 N 7.93 0.35 0.20 4.34 0.11 -1.93 -1.09 132.00 141.91 1jia h PRO 68 Ca -0.19 -0.02 -0.34 0.00 0.11 0.00 0.00 66.00 65.56 1jia h PRO 68 Cb 1.05 -0.08 0.02 0.00 0.11 0.00 0.00 31.00 32.10 1jia h PRO 68 CO 0.53 0.23 -1.62 0.87 -0.21 0.00 0.00 178.00 177.80 1jia h LYS 69 N 0.36 0.42 0.00 1.05 6.56 -1.95 -3.33 116.57 119.69 1jia h LYS 69 Ca 0.67 -0.72 0.00 0.00 -1.06 0.00 0.00 60.65 59.53 1jia h LYS 69 Cb 1.66 0.27 0.00 0.00 -0.57 0.00 0.00 32.23 33.59 1jia h LYS 69 CO -0.40 1.33 -1.47 0.91 -2.06 0.00 0.00 179.45 177.76 1jia n TRP 70 N -3.61 0.00 -2.97 -1.35 7.02 -1.11 -1.97 117.44 113.45 1jia n TRP 70 Ca -0.21 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 55.88 1jia n TRP 70 Cb 1.08 -0.27 -0.05 0.00 -2.42 0.00 0.00 31.31 29.65 1jia n TRP 70 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1jia s ASP 71 N -3.56 7.25 -0.08 -0.99 1.01 -0.43 -4.80 116.67 115.07 1jia s ASP 71 Ca -0.02 1.49 -0.20 0.00 0.71 0.00 0.00 52.55 54.53 1jia s ASP 71 Cb 0.12 -2.48 -0.04 0.00 1.01 0.00 0.00 42.92 41.53 1jia s ASP 71 CO 0.73 0.04 0.54 -1.81 0.21 0.00 0.00 175.17 174.88 1jia s ASP 72 N -0.20 6.81 0.53 0.27 1.11 -1.26 0.17 116.67 124.09 1jia s ASP 72 Ca 0.38 0.96 0.09 0.00 0.18 0.00 0.00 52.55 54.16 1jia s ASP 72 Cb -0.21 -2.33 0.06 0.00 1.07 0.00 0.00 42.92 41.51 1jia s ASP 72 CO 0.24 0.01 0.67 -0.72 1.18 0.00 0.00 175.17 176.55 1jia s TYR 73 N 0.44 1.83 -0.32 4.23 -0.85 -1.26 -4.87 117.35 116.54 1jia s TYR 73 Ca 0.29 -0.65 -0.13 0.00 -0.52 0.00 0.00 57.07 56.06 1jia s TYR 73 Cb -0.16 -2.21 -0.03 0.00 0.38 0.00 0.00 41.96 39.94 1jia s TYR 73 CO 0.13 -0.85 0.27 0.99 -1.52 0.00 0.00 175.55 174.57 1jia s THR 74 N -2.60 5.25 0.15 -3.49 2.01 -1.26 -4.98 115.64 110.73 1jia s THR 74 Ca 0.56 -0.00 -0.03 0.00 0.31 0.00 0.00 61.69 62.53 1jia s THR 74 Cb -0.06 -3.70 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 1jia s THR 74 CO 0.35 0.04 0.12 -0.72 -0.69 0.00 0.00 174.62 173.73 1jia s TYR 75 N 1.83 0.80 0.12 4.92 1.13 -1.26 -0.97 117.35 123.91 1jia s TYR 75 Ca 0.08 -1.14 -0.15 0.00 -1.41 0.00 0.00 57.07 54.44 1jia s TYR 75 Cb -0.17 -0.39 0.03 0.00 -1.10 0.00 0.00 41.96 40.34 1jia s TYR 75 CO 0.11 -0.59 0.39 -1.54 -2.51 0.00 0.00 175.55 171.40 1jia s SER 76 N -3.05 -0.21 0.10 -0.18 1.04 -0.19 -4.98 113.70 106.24 1jia s SER 76 Ca 0.25 -0.35 -0.22 0.00 0.48 0.00 0.00 55.95 56.12 1jia s SER 76 Cb 0.06 0.46 -0.07 0.00 0.10 0.00 0.00 66.02 66.58 1jia s SER 76 CO 0.03 -0.85 0.64 0.26 0.98 0.00 0.00 173.24 174.31 1jia s TRP 77 N -3.81 3.83 -0.11 5.02 0.52 -1.26 -0.05 118.94 123.09 1jia s TRP 77 Ca 0.03 1.40 -0.03 0.00 0.02 0.00 0.00 56.10 57.52 1jia s TRP 77 Cb 0.02 -2.60 0.04 0.00 -1.15 0.00 0.00 33.47 29.78 1jia s TRP 77 CO -0.12 0.54 0.05 0.21 0.02 0.00 0.00 176.95 177.65 1jia s LYS 78 N -1.04 0.26 -1.56 4.98 2.47 0.23 -4.91 119.74 120.17 1jia s LYS 78 Ca 0.32 0.06 -0.06 0.00 -1.56 0.00 0.00 55.97 54.72 1jia s LYS 78 Cb -0.21 -1.24 0.06 0.00 -1.46 0.00 0.00 37.83 34.98 1jia s LYS 78 CO 0.21 -0.46 0.39 0.09 0.16 0.00 0.00 175.35 175.74 1jia n ASN 79 N 5.21 -0.72 -0.25 1.43 4.13 -1.26 -0.88 115.26 122.92 1jia n ASN 79 Ca -0.06 -1.12 -0.03 0.00 1.68 0.00 0.00 54.58 55.06 1jia n ASN 79 Cb 0.49 -2.40 -0.01 0.00 -1.54 0.00 0.00 39.78 36.33 1jia n ASN 79 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jia n GLY 80 N -1.95 0.40 3.00 7.41 0.00 -1.26 -5.04 105.19 107.75 1jia n GLY 80 Ca -0.19 -0.86 -0.18 0.00 0.00 0.00 0.00 46.02 44.78 1jia n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jia s THR 81 N -2.11 0.66 0.16 2.61 2.01 -0.06 -5.14 115.64 113.77 1jia s THR 81 Ca 0.00 -0.33 -0.29 0.00 0.31 0.00 0.00 61.69 61.38 1jia s THR 81 Cb 0.00 -0.57 -0.07 0.00 0.01 0.00 0.00 72.50 71.87 1jia s THR 81 CO 0.00 0.20 0.91 -0.63 -0.69 0.00 0.00 174.62 174.41 1jia s ILE 82 N -0.05 4.34 -0.10 1.82 1.01 -1.26 -0.60 121.20 126.36 1jia s ILE 82 Ca 0.01 2.00 0.01 0.00 0.00 0.00 0.00 60.65 62.66 1jia s ILE 82 Cb -0.05 -4.29 0.02 0.00 0.01 0.00 0.00 42.46 38.16 1jia s ILE 82 CO -0.00 0.41 -0.10 -0.69 0.00 0.00 0.00 174.94 174.57 1jia s VAL 83 N -0.59 1.10 -0.01 2.92 1.01 0.93 -4.88 120.40 120.88 1jia s VAL 83 Ca 0.43 -0.38 -0.16 0.00 0.00 0.00 0.00 61.98 61.87 1jia s VAL 83 Cb -0.24 -1.07 -0.06 0.00 0.00 0.00 0.00 36.38 35.01 1jia s VAL 83 CO 0.30 0.37 0.45 0.00 0.00 0.00 0.00 175.10 176.22 1jia n GLY 85 N 2.11 5.56 0.00 0.00 0.00 -0.15 -4.99 105.19 107.73 1jia n GLY 85 Ca -0.12 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.01 1jia n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jia n GLY 86 N 0.29 -2.14 1.14 -0.02 0.00 -1.26 -4.49 105.19 98.71 1jia n GLY 86 Ca 0.00 -1.49 0.11 0.00 0.00 0.00 0.00 46.02 44.64 1jia n GLY 86 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jia n ASP 88 N -2.02 3.51 -4.46 1.61 5.75 -1.26 -4.84 116.55 114.85 1jia n ASP 88 Ca 0.00 -1.97 -0.43 0.00 -0.01 0.00 0.00 54.79 52.37 1jia n ASP 88 Cb 0.00 -0.31 -0.08 0.00 -1.03 0.00 0.00 41.12 39.70 1jia n ASP 88 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1jia s ASP 89 N -1.27 6.19 0.45 -1.12 -1.08 -1.26 -4.96 116.67 113.62 1jia s ASP 89 Ca 0.39 -0.85 0.17 0.00 -0.52 0.00 0.00 52.55 51.74 1jia s ASP 89 Cb 0.22 -2.23 1.11 0.00 -1.46 0.00 0.00 42.92 40.56 1jia s ASP 89 CO 0.30 -0.67 1.95 1.55 0.52 0.00 0.00 175.17 178.82 1jia h PRO 90 N 8.80 0.33 -0.18 4.34 0.13 -1.94 -2.84 132.00 140.63 1jia h PRO 90 Ca -0.27 -0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 64.79 1jia h PRO 90 Cb 1.11 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 1jia h PRO 90 CO 0.85 0.22 -0.10 0.00 -0.23 0.00 0.00 178.00 178.74 1jia h LYS 92 N 0.07 0.71 -0.44 0.00 1.57 -1.92 -1.37 116.57 115.19 1jia h LYS 92 Ca 0.04 -0.12 -0.11 0.00 -1.87 0.00 0.00 60.65 58.59 1jia h LYS 92 Cb 0.58 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 1jia h LYS 92 CO 0.03 0.62 -0.18 -0.22 -0.57 0.00 0.00 179.45 179.13 1jia h LYS 93 N 0.70 0.86 -0.37 3.15 3.64 -1.49 -1.21 116.57 121.85 1jia h LYS 93 Ca 0.16 -0.33 0.05 0.00 -1.27 0.00 0.00 60.65 59.26 1jia h LYS 93 Cb 0.21 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 1jia h LYS 93 CO -0.01 0.97 0.11 0.93 -2.27 0.00 0.00 179.45 179.18 1jia h GLU 94 N 0.76 0.24 -0.18 1.90 5.08 -0.89 0.13 114.58 121.62 1jia h GLU 94 Ca 0.11 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.49 1jia h GLU 94 Cb 0.71 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 1jia h GLU 94 CO 0.05 0.16 -0.03 0.28 -1.00 0.00 0.00 179.01 178.48 1jia h VAL 95 N 0.25 0.84 -0.54 3.13 2.07 -1.11 0.12 116.25 121.01 1jia h VAL 95 Ca 0.17 -0.01 0.09 0.00 0.82 0.00 0.00 66.70 67.78 1jia h VAL 95 Cb 0.17 0.82 -0.07 0.00 -1.52 0.00 0.00 31.29 30.68 1jia h VAL 95 CO -0.19 0.00 0.12 0.00 0.02 0.00 0.00 177.57 177.52 1jia h GLU 97 N 0.26 1.08 -0.52 0.00 4.39 0.14 -0.69 114.58 119.24 1jia h GLU 97 Ca 0.28 -0.18 -0.00 0.00 0.34 0.00 0.00 59.36 59.80 1jia h GLU 97 Cb 0.38 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 1jia h GLU 97 CO -0.35 0.87 0.31 0.00 -1.16 0.00 0.00 179.01 178.68 1jia h ASP 99 N 0.69 0.69 -0.36 0.00 3.32 -0.46 -2.84 116.42 117.46 1jia h ASP 99 Ca 0.19 -0.40 0.04 0.00 0.02 0.00 0.00 57.03 56.87 1jia h ASP 99 Cb -0.01 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.31 1jia h ASP 99 CO -0.04 0.94 0.14 0.50 -1.72 0.00 0.00 179.24 179.07 1jia h LYS 100 N 0.44 0.30 -0.74 3.56 3.64 -1.16 0.09 116.57 122.69 1jia h LYS 100 Ca 0.07 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1jia h LYS 100 Cb 0.68 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.40 1jia h LYS 100 CO 0.05 0.20 0.35 0.00 -2.27 0.00 0.00 179.45 177.77 1jia h ALA 101 N 1.21 0.96 -0.33 5.00 0.00 -1.41 -1.03 119.26 123.67 1jia h ALA 101 Ca 0.16 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1jia h ALA 101 Cb 0.11 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1jia h ALA 101 CO -0.14 0.54 -0.31 0.00 0.00 0.00 0.00 179.25 179.33 1jia h ALA 102 N 1.17 0.48 -0.38 0.00 0.00 -1.21 0.17 119.26 119.49 1jia h ALA 102 Ca 0.25 -0.42 0.08 0.00 0.00 0.00 0.00 54.91 54.83 1jia h ALA 102 Cb 0.14 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.75 1jia h ALA 102 CO -0.03 0.52 -0.10 0.00 0.00 0.00 0.00 179.25 179.63 1jia h ALA 103 N 0.73 0.24 -0.79 0.00 0.00 -0.67 0.21 119.26 118.99 1jia h ALA 103 Ca 0.05 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1jia h ALA 103 Cb 0.89 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 1jia h ALA 103 CO 0.08 -0.46 0.42 0.82 0.00 0.00 0.00 179.25 180.11 1jia h ILE 104 N -0.01 1.23 -0.49 0.00 2.04 -1.07 -2.33 117.51 116.88 1jia h ILE 104 Ca 0.19 -0.59 -0.13 0.00 1.00 0.00 0.00 64.86 65.33 1jia h ILE 104 Cb 0.29 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 1jia h ILE 104 CO -0.40 0.26 -0.20 0.00 0.00 0.00 0.00 178.15 177.81 1jia h PHE 106 N 0.85 0.86 0.27 0.00 0.04 -0.42 -2.81 116.94 115.74 1jia h PHE 106 Ca 0.11 -0.10 -0.00 0.00 2.80 0.00 0.00 57.97 60.78 1jia h PHE 106 Cb 0.77 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.66 1jia h PHE 106 CO 0.05 0.75 -0.20 -0.09 -0.60 0.00 0.00 178.31 178.22 1jia h ARG 107 N 0.72 -0.46 0.00 1.51 1.12 -1.15 -1.72 114.38 114.40 1jia h ARG 107 Ca 0.17 0.03 0.00 0.00 -1.11 0.00 0.00 59.98 59.07 1jia h ARG 107 Cb 0.31 0.10 0.00 0.00 -0.01 0.00 0.00 29.97 30.38 1jia h ARG 107 CO -0.00 -0.31 0.00 -0.25 -3.11 0.00 0.00 179.97 176.30 1jia n ASP 108 N -5.33 0.00 -0.39 -3.80 8.00 -0.09 -2.46 116.55 112.48 1jia n ASP 108 Ca -0.09 0.22 0.04 0.00 0.71 0.00 0.00 54.79 55.67 1jia n ASP 108 Cb 0.24 -0.25 0.07 0.00 -0.02 0.00 0.00 41.12 41.16 1jia n ASP 108 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1jia n ASN 109 N -1.25 1.07 0.32 -2.24 3.02 -0.69 -4.71 115.26 110.78 1jia n ASN 109 Ca 0.01 -2.52 0.20 0.00 -0.03 0.00 0.00 54.58 52.24 1jia n ASN 109 Cb 0.01 -0.31 1.05 0.00 -0.61 0.00 0.00 39.78 39.92 1jia n ASN 109 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1jia h LEU 110 N 0.10 0.00 -0.35 3.41 3.38 -1.13 -2.68 115.31 118.04 1jia h LEU 110 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1jia h LEU 110 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1jia h LEU 110 CO 0.01 0.01 0.00 0.07 0.09 0.00 0.00 178.44 178.62 1jia h LYS 111 N 0.00 0.00 -0.23 1.13 2.10 -1.84 -3.01 116.57 114.71 1jia h LYS 111 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1jia h LYS 111 Cb 0.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.47 1jia h LYS 111 CO 0.00 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 177.70 1jia n THR 112 N -2.48 1.02 -1.76 0.07 -2.24 -1.02 -5.00 114.28 102.87 1jia n THR 112 Ca 0.04 -1.02 -0.43 0.00 -2.27 0.00 0.00 64.05 60.37 1jia n THR 112 Cb 0.38 0.49 -0.03 0.00 -2.10 0.00 0.00 70.33 69.07 1jia n THR 112 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1jia s TYR 113 N -1.03 1.43 -0.34 4.78 6.14 -1.14 -4.93 117.35 122.26 1jia s TYR 113 Ca 0.16 0.40 -0.16 0.00 0.64 0.00 0.00 57.07 58.11 1jia s TYR 113 Cb 0.08 -4.02 -0.01 0.00 0.42 0.00 0.00 41.96 38.43 1jia s TYR 113 CO 0.10 -3.94 0.40 0.15 0.64 0.00 0.00 175.55 172.90 1jia s LYS 114 N 5.70 3.59 0.59 4.97 3.01 -1.26 -4.94 119.74 131.40 1jia s LYS 114 Ca 0.91 -0.34 0.29 0.00 -1.01 0.00 0.00 55.97 55.81 1jia s LYS 114 Cb -0.31 -3.80 1.46 0.00 -1.01 0.00 0.00 37.83 34.17 1jia s LYS 114 CO 0.35 -0.55 1.88 1.57 0.51 0.00 0.00 175.35 179.11 1jia h LYS 115 N 8.45 0.00 0.00 1.68 5.09 -2.00 -0.63 116.57 129.16 1jia h LYS 115 Ca -0.29 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.44 1jia h LYS 115 Cb 1.14 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.47 1jia h LYS 115 CO 0.71 0.00 -0.03 0.07 -2.09 0.00 0.00 179.45 178.11 1jia h ARG 116 N 0.00 0.00 -0.50 0.07 0.11 -2.00 -2.53 114.38 109.53 1jia h ARG 116 Ca 0.24 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.32 1jia h ARG 116 Cb 1.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.35 1jia h ARG 116 CO -0.00 0.03 0.00 0.66 0.10 0.00 0.00 179.97 180.76 1jia n TYR 117 N -3.23 0.65 -0.24 4.08 4.01 -0.24 -4.67 117.16 117.52 1jia n TYR 117 Ca -0.01 -0.34 0.05 0.00 -0.16 0.00 0.00 57.90 57.43 1jia n TYR 117 Cb 0.19 -0.00 0.29 0.00 -0.31 0.00 0.00 39.34 39.51 1jia n TYR 117 CO 0.00 0.00 0.00 1.98 -0.46 0.00 0.00 176.86 178.38 1jia h MET 118 N 4.31 0.88 -1.88 -0.72 4.05 -1.53 0.21 114.93 120.25 1jia h MET 118 Ca 0.00 -0.05 -0.53 0.00 -0.28 0.00 0.00 59.70 58.84 1jia h MET 118 Cb 0.98 -0.20 -0.36 0.00 -0.80 0.00 0.00 31.60 31.21 1jia h MET 118 CO 0.00 0.58 -1.03 0.00 0.23 0.00 0.00 176.91 176.69 1jia n ALA 119 N -2.42 2.12 -2.62 0.39 0.00 -1.26 -3.30 120.51 113.42 1jia n ALA 119 Ca 0.12 -3.16 -0.43 0.00 0.00 0.00 0.00 53.44 49.97 1jia n ALA 119 Cb 0.20 -0.85 -0.02 0.00 0.00 0.00 0.00 19.45 18.78 1jia n ALA 119 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1jia s TYR 120 N -0.80 3.15 -0.05 0.00 5.04 -1.19 -4.99 117.35 118.51 1jia s TYR 120 Ca 0.34 1.23 -0.36 0.00 -2.44 0.00 0.00 57.07 55.85 1jia s TYR 120 Cb 0.15 -3.60 -0.13 0.00 0.35 0.00 0.00 41.96 38.73 1jia s TYR 120 CO -0.13 -0.81 1.73 -2.30 -1.34 0.00 0.00 175.55 172.70 1jia n PRO 121 N 6.76 1.86 0.29 4.97 -0.02 -1.26 -4.75 135.00 142.84 1jia n PRO 121 Ca 0.12 0.68 0.15 0.00 -2.02 0.00 0.00 63.50 62.44 1jia n PRO 121 Cb 0.47 -2.46 0.85 0.00 -0.02 0.00 0.00 33.50 32.35 1jia n PRO 121 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1jia h ASP 122 N 7.61 0.00 0.50 2.55 2.03 -1.94 -0.40 116.42 126.77 1jia h ASP 122 Ca -0.47 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.83 1jia h ASP 122 Cb 1.28 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.78 1jia h ASP 122 CO 0.92 0.06 0.00 2.30 -1.03 0.00 0.00 179.24 181.49 1jia n ILE 124 N -3.54 0.95 1.12 4.15 -5.35 -1.26 -1.51 119.36 113.92 1jia n ILE 124 Ca -0.02 0.36 0.14 0.00 -0.27 0.00 0.00 62.75 62.96 1jia n ILE 124 Cb 0.18 -1.30 0.65 0.00 -1.74 0.00 0.00 39.64 37.43 1jia n ILE 124 CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68 1jia n LEU 125 N -2.14 0.00 -4.74 7.28 7.94 -0.16 -4.78 117.00 120.41 1jia n LEU 125 Ca 0.01 0.41 -0.40 0.00 -1.11 0.00 0.00 56.01 54.92 1jia n LEU 125 Cb 0.17 -0.41 -0.05 0.00 0.53 0.00 0.00 43.42 43.66 1jia n LEU 125 CO 0.16 -0.02 0.50 0.00 -1.11 0.00 0.00 177.39 176.92 1jia n SER 127 N 3.01 -1.43 0.04 0.00 3.41 -1.26 -4.80 113.62 112.59 1jia n SER 127 Ca -0.01 0.13 -0.19 0.00 -0.26 0.00 0.00 58.87 58.54 1jia n SER 127 Cb 0.50 -1.24 -0.13 0.00 -0.26 0.00 0.00 64.21 63.08 1jia n SER 127 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1jia h SER 128 N -2.05 0.49 -3.58 4.04 4.64 -1.94 -2.98 113.55 112.18 1jia h SER 128 Ca -0.50 -0.89 -0.65 0.00 -0.47 0.00 0.00 61.79 59.27 1jia h SER 128 Cb 1.31 -0.16 -0.15 0.00 -0.31 0.00 0.00 62.40 63.09 1jia h SER 128 CO 0.41 1.34 0.13 -0.54 -0.87 0.00 0.00 176.83 177.30 1jia s LYS 129 N -2.68 3.27 0.44 4.77 3.01 -1.26 -4.60 119.74 122.69 1jia s LYS 129 Ca -0.13 -0.39 -0.25 0.00 -1.01 0.00 0.00 55.97 54.19 1jia s LYS 129 Cb 0.02 -3.96 -0.08 0.00 -1.01 0.00 0.00 37.83 32.80 1jia s LYS 129 CO 0.83 -1.02 1.31 -1.12 0.51 0.00 0.00 175.35 175.86 1jia s SER 130 N 2.03 6.10 0.57 2.83 0.01 -1.26 -4.14 113.70 119.85 1jia s SER 130 Ca 0.23 2.67 -0.17 0.00 1.31 0.00 0.00 55.95 59.99 1jia s SER 130 Cb -0.14 -2.64 -0.05 0.00 0.21 0.00 0.00 66.02 63.40 1jia s SER 130 CO 0.19 -1.00 1.05 -0.70 0.41 0.00 0.00 173.24 173.19 1jia s GLU 131 N -2.41 3.44 0.23 12.44 2.12 -0.61 -4.91 118.70 129.01 1jia s GLU 131 Ca 0.60 1.24 0.02 0.00 0.36 0.00 0.00 54.97 57.19 1jia s GLU 131 Cb -0.38 -2.05 -0.03 0.00 0.26 0.00 0.00 34.13 31.93 1jia s GLU 131 CO 0.48 -0.72 0.38 -1.59 -0.54 0.00 0.00 175.26 173.28 1jia s LYS 132 N -3.89 3.47 0.00 4.30 0.00 -1.26 -5.01 119.74 117.34 1jia s LYS 132 Ca 0.64 -0.55 0.22 0.00 0.00 0.00 0.00 55.97 56.28 1jia s LYS 132 Cb -0.16 -2.85 1.34 0.00 0.00 0.00 0.00 37.83 36.15 1jia s LYS 132 CO 0.33 0.39 1.71 0.00 0.00 0.00 0.00 175.35 177.78