#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h8d s GLU 2 N 0.00 3.82 -0.08 1.45 1.03 -1.26 -5.01 118.70 118.65 2h8d s GLU 2 Ca 0.00 -0.40 -0.06 0.00 0.03 0.00 0.00 54.97 54.54 2h8d s GLU 2 Cb 0.00 -3.39 -0.04 0.00 -0.80 0.00 0.00 34.13 29.90 2h8d s GLU 2 CO 0.00 -0.06 0.17 -1.58 -1.33 0.00 0.00 175.26 172.46 2h8d s TRP 3 N 1.32 3.59 0.49 4.83 0.52 -1.26 -5.11 118.94 123.32 2h8d s TRP 3 Ca 0.06 0.51 -0.07 0.00 0.02 0.00 0.00 56.10 56.62 2h8d s TRP 3 Cb -0.15 -1.93 -0.04 0.00 -1.15 0.00 0.00 33.47 30.20 2h8d s TRP 3 CO 0.05 0.71 0.81 0.95 0.02 0.00 0.00 176.95 179.49 2h8d s THR 4 N -1.12 4.87 0.35 2.01 -4.23 -1.26 -4.93 115.64 111.33 2h8d s THR 4 Ca 0.19 0.34 0.03 0.00 -1.18 0.00 0.00 61.69 61.07 2h8d s THR 4 Cb -0.12 -3.85 0.25 0.00 1.34 0.00 0.00 72.50 70.11 2h8d s THR 4 CO 0.08 -0.84 1.99 0.44 -0.54 0.00 0.00 174.62 175.75 2h8d h ASP 5 N 0.30 0.68 -0.50 3.99 3.32 -1.99 -0.20 116.42 122.01 2h8d h ASP 5 Ca -0.47 -0.04 -0.08 0.00 0.02 0.00 0.00 57.03 56.47 2h8d h ASP 5 Cb 1.20 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.56 2h8d h ASP 5 CO 0.62 0.53 -0.01 0.50 -1.72 0.00 0.00 179.24 179.16 2h8d h LYS 6 N 0.78 0.90 -0.52 3.56 3.64 -1.99 -2.01 116.57 120.92 2h8d h LYS 6 Ca 0.21 -0.29 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 2h8d h LYS 6 Cb -0.02 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 2h8d h LYS 6 CO -0.04 0.93 0.28 0.93 -2.27 0.00 0.00 179.45 179.28 2h8d h GLU 7 N 0.76 0.73 -1.00 1.90 5.08 -1.78 -1.10 114.58 119.18 2h8d h GLU 7 Ca 0.14 -0.09 0.08 0.00 -1.00 0.00 0.00 59.36 58.49 2h8d h GLU 7 Cb 0.53 -0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.57 2h8d h GLU 7 CO 0.03 0.58 0.64 0.00 -1.00 0.00 0.00 179.01 179.26 2h8d h ARG 8 N 0.70 1.09 -0.13 2.33 3.08 -0.80 -2.06 114.38 118.60 2h8d h ARG 8 Ca 0.18 -0.07 -0.16 0.00 0.07 0.00 0.00 59.98 60.01 2h8d h ARG 8 Cb 0.06 -0.25 0.01 0.00 0.08 0.00 0.00 29.97 29.87 2h8d h ARG 8 CO -0.03 0.72 -0.53 1.03 -1.07 0.00 0.00 179.97 180.09 2h8d h SER 9 N 1.13 0.70 -0.21 7.04 0.87 -1.04 -0.70 113.55 121.34 2h8d h SER 9 Ca 0.44 -0.62 0.04 0.00 -1.23 0.00 0.00 61.79 60.42 2h8d h SER 9 Cb 0.24 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.97 2h8d h SER 9 CO -0.19 1.20 -0.01 0.40 -0.53 0.00 0.00 176.83 177.70 2h8d h ILE 10 N 0.23 0.84 -0.20 2.23 2.04 -1.09 -0.00 117.51 121.56 2h8d h ILE 10 Ca -0.03 -0.02 -0.04 0.00 1.00 0.00 0.00 64.86 65.77 2h8d h ILE 10 Cb 1.17 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 2h8d h ILE 10 CO 0.11 0.01 -0.02 0.40 0.00 0.00 0.00 178.15 178.65 2h8d h ILE 11 N 0.05 1.27 -0.49 -0.67 5.03 -1.34 0.39 117.51 121.75 2h8d h ILE 11 Ca 0.10 -0.95 0.09 0.00 -0.12 0.00 0.00 64.86 63.97 2h8d h ILE 11 Cb 0.13 1.50 -0.07 0.00 -3.03 0.00 0.00 36.82 35.34 2h8d h ILE 11 CO -0.18 0.29 0.08 -1.28 -0.68 0.00 0.00 178.15 176.38 2h8d h SER 12 N 0.11 -0.05 -0.33 1.72 0.87 -1.04 -1.77 113.55 113.05 2h8d h SER 12 Ca 0.05 0.09 -0.11 0.00 -1.23 0.00 0.00 61.79 60.59 2h8d h SER 12 Cb 0.44 0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.54 2h8d h SER 12 CO 0.01 0.01 -0.24 -0.78 -0.53 0.00 0.00 176.83 175.30 2h8d h ASP 13 N 0.20 0.79 -0.17 6.23 3.58 -0.70 -2.04 116.42 124.31 2h8d h ASP 13 Ca 0.25 -0.44 0.03 0.00 0.42 0.00 0.00 57.03 57.29 2h8d h ASP 13 Cb 0.34 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 41.14 2h8d h ASP 13 CO -0.34 1.06 -0.05 0.40 -2.88 0.00 0.00 179.24 177.43 2h8d h ILE 14 N 0.52 0.82 0.00 2.25 2.04 -0.59 -2.15 117.51 120.40 2h8d h ILE 14 Ca 0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.93 2h8d h ILE 14 Cb 0.80 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 2h8d h ILE 14 CO 0.06 0.00 0.00 0.49 0.00 0.00 0.00 178.15 178.70 2h8d n PHE 15 N -5.19 0.87 0.40 1.37 3.01 -0.70 -1.86 117.46 115.37 2h8d n PHE 15 Ca -0.03 0.31 0.12 0.00 1.01 0.00 0.00 57.45 58.86 2h8d n PHE 15 Cb 0.11 -1.01 0.22 0.00 -0.01 0.00 0.00 39.48 38.79 2h8d n PHE 15 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 2h8d h SER 16 N 0.00 0.00 -0.01 4.37 0.02 -0.75 -3.28 113.55 113.90 2h8d h SER 16 Ca 0.00 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 2h8d h SER 16 Cb 0.48 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.02 2h8d h SER 16 CO 0.00 0.02 -0.54 1.41 -1.14 0.00 0.00 176.83 176.58 2h8d n HIS 17 N -2.57 0.00 -2.65 3.45 8.25 -0.78 -4.97 115.22 115.95 2h8d n HIS 17 Ca 0.04 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.10 2h8d n HIS 17 Cb 0.48 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.54 2h8d n HIS 17 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 2h8d s MET 18 N -2.46 4.78 -0.56 -0.41 0.00 -0.78 -4.97 119.30 114.90 2h8d s MET 18 Ca 0.15 1.60 -0.15 0.00 0.00 0.00 0.00 55.69 57.29 2h8d s MET 18 Cb 0.17 -3.24 0.14 0.00 0.00 0.00 0.00 34.83 31.89 2h8d s MET 18 CO 0.59 0.41 0.51 0.34 0.00 0.00 0.00 175.02 176.86 2h8d s ASP 19 N -1.08 6.18 0.45 1.11 -1.08 -1.26 -4.92 116.67 116.06 2h8d s ASP 19 Ca 0.42 -1.88 0.13 0.00 -0.52 0.00 0.00 52.55 50.70 2h8d s ASP 19 Cb -0.28 -2.19 1.00 0.00 -1.46 0.00 0.00 42.92 39.99 2h8d s ASP 19 CO 0.35 -0.82 2.02 1.88 0.52 0.00 0.00 175.17 179.13 2h8d h TYR 20 N 8.74 0.13 0.00 -5.34 -1.99 -1.98 -0.75 116.97 115.79 2h8d h TYR 20 Ca -0.26 -0.01 -0.07 0.00 2.00 0.00 0.00 58.73 60.40 2h8d h TYR 20 Cb 1.09 -0.04 -0.01 0.00 2.00 0.00 0.00 36.73 39.77 2h8d h TYR 20 CO 0.74 0.20 -0.33 -0.44 -0.00 0.00 0.00 178.16 178.33 2h8d h ASP 21 N 0.12 0.00 0.00 3.88 5.19 -1.96 -0.45 116.42 123.20 2h8d h ASP 21 Ca 0.03 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.31 2h8d h ASP 21 Cb 0.20 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.70 2h8d h ASP 21 CO 0.01 0.33 -0.92 -0.78 -3.12 0.00 0.00 179.24 174.76 2h8d h ASP 22 N 0.00 0.00 -0.28 6.45 3.58 -1.78 -3.41 116.42 120.98 2h8d h ASP 22 Ca -0.00 -0.27 -0.07 0.00 0.42 0.00 0.00 57.03 57.10 2h8d h ASP 22 Cb 0.81 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.85 2h8d h ASP 22 CO 0.04 1.15 -0.11 0.40 -2.88 0.00 0.00 179.24 177.84 2h8d h ILE 23 N -1.00 1.29 0.22 2.25 1.08 -1.22 -3.06 117.51 117.07 2h8d h ILE 23 Ca -0.19 -1.19 0.01 0.00 -0.39 0.00 0.00 64.86 63.10 2h8d h ILE 23 Cb 0.94 1.48 -0.03 0.00 -3.07 0.00 0.00 36.82 36.14 2h8d h ILE 23 CO -0.12 0.38 -0.34 1.23 -0.69 0.00 0.00 178.15 178.61 2h8d h GLY 24 N 0.31 -0.71 0.98 5.37 0.00 -1.28 0.31 103.07 108.05 2h8d h GLY 24 Ca 0.06 0.40 -0.00 0.00 0.00 0.00 0.00 47.33 47.79 2h8d h GLY 24 CO 0.04 -0.27 0.22 -2.55 0.00 0.00 0.00 176.54 173.98 2h8d h PRO 25 N -0.63 0.48 -0.75 4.80 0.11 -1.74 -1.68 132.00 132.59 2h8d h PRO 25 Ca 0.01 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.07 2h8d h PRO 25 Cb 0.61 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 31.59 2h8d h PRO 25 CO -0.13 0.36 0.46 0.87 -0.21 0.00 0.00 178.00 179.34 2h8d h LYS 26 N 0.47 1.01 -0.12 1.05 1.57 -1.38 0.84 116.57 120.01 2h8d h LYS 26 Ca 0.13 -0.08 -0.20 0.00 -1.87 0.00 0.00 60.65 58.62 2h8d h LYS 26 Cb 0.00 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.10 2h8d h LYS 26 CO -0.02 0.70 -0.76 0.00 -0.57 0.00 0.00 179.45 178.80 2h8d h ALA 27 N 1.47 0.45 -0.22 3.86 0.00 -0.12 -0.62 119.26 124.09 2h8d h ALA 27 Ca 0.27 -0.60 -0.18 0.00 0.00 0.00 0.00 54.91 54.39 2h8d h ALA 27 Cb -0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2h8d h ALA 27 CO -0.05 0.72 -0.59 1.25 0.00 0.00 0.00 179.25 180.58 2h8d h LEU 28 N 0.41 0.80 0.05 0.00 5.85 -1.12 -2.05 115.31 119.25 2h8d h LEU 28 Ca -0.04 -0.45 0.01 0.00 0.84 0.00 0.00 57.88 58.24 2h8d h LEU 28 Cb 1.36 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 2h8d h LEU 28 CO 0.14 1.21 -0.12 0.28 -0.34 0.00 0.00 178.44 179.61 2h8d h SER 29 N 0.53 -0.35 -0.78 1.25 0.02 -0.74 -1.77 113.55 111.72 2h8d h SER 29 Ca 0.00 0.04 0.03 0.00 -0.84 0.00 0.00 61.79 61.02 2h8d h SER 29 Cb 1.18 0.14 -0.05 0.00 0.14 0.00 0.00 62.40 63.81 2h8d h SER 29 CO 0.12 -0.18 0.50 -0.09 -1.14 0.00 0.00 176.83 176.04 2h8d h ARG 30 N -0.24 0.96 -0.82 3.45 2.43 -1.12 -2.00 114.38 117.03 2h8d h ARG 30 Ca 0.03 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.10 2h8d h ARG 30 Cb 0.27 -0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 29.56 2h8d h ARG 30 CO -0.09 0.63 0.36 0.00 -1.51 0.00 0.00 179.97 179.36 2h8d h LEU 32 N 1.19 0.00 0.00 0.00 3.38 -0.73 0.12 115.31 119.27 2h8d h LEU 32 Ca 0.28 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.13 2h8d h LEU 32 Cb 0.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2h8d h LEU 32 CO -0.03 0.00 -0.68 0.40 0.09 0.00 0.00 178.44 178.22 2h8d h ILE 33 N 0.00 1.05 -0.02 1.22 2.04 -0.94 -3.27 117.51 117.60 2h8d h ILE 33 Ca 0.00 -2.04 -0.12 0.00 1.00 0.00 0.00 64.86 63.70 2h8d h ILE 33 Cb 0.68 2.24 -0.02 0.00 -0.74 0.00 0.00 36.82 38.98 2h8d h ILE 33 CO 0.00 0.36 -0.56 0.58 0.00 0.00 0.00 178.15 178.53 2h8d h VAL 34 N -1.00 1.40 -2.08 1.67 2.07 -0.28 -3.36 116.25 114.66 2h8d h VAL 34 Ca -0.18 -1.91 -0.58 0.00 0.82 0.00 0.00 66.70 64.86 2h8d h VAL 34 Cb 1.04 2.01 -0.40 0.00 -1.52 0.00 0.00 31.29 32.42 2h8d h VAL 34 CO -0.11 0.55 -0.92 -1.22 0.02 0.00 0.00 177.57 175.89 2h8d n TYR 35 N -3.88 1.06 0.32 1.57 4.01 0.41 -4.99 117.16 115.65 2h8d n TYR 35 Ca -0.01 -3.77 0.07 0.00 -0.16 0.00 0.00 57.90 54.03 2h8d n TYR 35 Cb 0.57 -0.41 0.33 0.00 -0.31 0.00 0.00 39.34 39.52 2h8d n TYR 35 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 2h8d n PRO 36 N 1.24 0.07 0.07 -0.72 -0.02 -1.23 -0.87 135.00 133.55 2h8d n PRO 36 Ca 0.24 0.40 0.09 0.00 -2.02 0.00 0.00 63.50 62.22 2h8d n PRO 36 Cb 0.49 -1.67 0.40 0.00 -0.02 0.00 0.00 33.50 32.70 2h8d n PRO 36 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 2h8d n TRP 37 N -1.81 0.41 0.40 6.00 2.14 -1.26 -1.75 117.44 121.57 2h8d n TRP 37 Ca 0.02 0.16 0.12 0.00 2.07 0.00 0.00 57.50 59.86 2h8d n TRP 37 Cb 0.13 -0.76 0.48 0.00 -0.81 0.00 0.00 31.31 30.35 2h8d n TRP 37 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 2h8d n THR 38 N -1.87 0.84 0.29 -1.67 -2.24 -0.04 -2.07 114.28 107.50 2h8d n THR 38 Ca 0.03 0.24 0.05 0.00 -2.27 0.00 0.00 64.05 62.09 2h8d n THR 38 Cb 0.19 -1.16 0.23 0.00 -2.10 0.00 0.00 70.33 67.49 2h8d n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2h8d n GLN 39 N -2.19 0.02 -0.39 -0.78 6.02 -0.72 -3.32 117.38 116.02 2h8d n GLN 39 Ca 0.02 0.38 0.33 0.00 -0.01 0.00 0.00 57.00 57.73 2h8d n GLN 39 Cb 0.22 -1.56 0.65 0.00 1.02 0.00 0.00 30.24 30.58 2h8d n GLN 39 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 2h8d h ARG 40 N 0.00 0.15 -0.62 -1.09 2.43 -1.64 -1.66 114.38 111.95 2h8d h ARG 40 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2h8d h ARG 40 Cb 0.15 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 2h8d h ARG 40 CO 0.00 0.10 0.00 0.72 -1.51 0.00 0.00 179.97 179.28 2h8d n HIS 41 N -4.43 1.31 -2.42 2.20 8.25 -1.21 -4.46 115.22 114.45 2h8d n HIS 41 Ca 0.30 -0.60 -0.14 0.00 -0.26 0.00 0.00 57.72 57.02 2h8d n HIS 41 Cb 1.25 -0.20 0.03 0.00 1.12 0.00 0.00 29.99 32.19 2h8d n HIS 41 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2h8d n PHE 42 N 1.06 2.12 0.00 4.41 3.72 -0.62 -4.98 117.46 123.17 2h8d n PHE 42 Ca 0.24 -2.32 0.00 0.00 -0.05 0.00 0.00 57.45 55.33 2h8d n PHE 42 Cb 0.82 -0.28 0.00 0.00 -0.94 0.00 0.00 39.48 39.08 2h8d n PHE 42 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2h8d n SER 43 N -0.60 0.00 -0.37 4.37 7.64 -1.26 -2.79 113.62 120.62 2h8d n SER 43 Ca 0.27 0.17 0.00 0.00 1.01 0.00 0.00 58.87 60.31 2h8d n SER 43 Cb 0.87 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.07 2h8d n SER 43 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2h8d n GLY 44 N -0.32 0.38 0.00 0.23 0.00 -1.26 -3.92 105.19 100.30 2h8d n GLY 44 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 2h8d n GLY 44 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2h8d n PHE 45 N 0.07 0.00 0.00 1.61 3.01 -1.12 -4.99 117.46 116.03 2h8d n PHE 45 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2h8d n PHE 45 Cb 0.08 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.53 2h8d n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2h8d n GLY 46 N 0.41 -2.26 3.66 1.37 0.00 -1.25 -4.72 105.19 102.39 2h8d n GLY 46 Ca 0.16 -2.10 -0.43 0.00 0.00 0.00 0.00 46.02 43.65 2h8d n GLY 46 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2h8d s ASN 47 N -2.69 6.85 -0.27 1.61 3.84 -1.26 -4.93 114.94 118.09 2h8d s ASN 47 Ca 0.00 1.78 0.10 0.00 0.21 0.00 0.00 52.86 54.96 2h8d s ASN 47 Cb 0.00 -2.54 0.50 0.00 -0.55 0.00 0.00 41.25 38.67 2h8d s ASN 47 CO 0.00 -0.83 1.45 0.18 -2.79 0.00 0.00 177.10 175.11 2h8d n LEU 48 N 6.84 4.04 -4.37 3.21 4.77 -1.26 -4.64 117.00 125.59 2h8d n LEU 48 Ca 0.15 -3.63 -0.46 0.00 -0.03 0.00 0.00 56.01 52.04 2h8d n LEU 48 Cb 0.44 -0.62 -0.01 0.00 -2.33 0.00 0.00 43.42 40.90 2h8d n LEU 48 CO 0.58 1.14 0.73 -0.31 -1.33 0.00 0.00 177.39 178.20 2h8d s TYR 49 N -3.17 3.72 0.00 -1.77 1.51 -1.26 -4.79 117.35 111.59 2h8d s TYR 49 Ca 0.44 -2.04 0.00 0.00 -1.01 0.00 0.00 57.07 54.45 2h8d s TYR 49 Cb 0.39 -3.97 0.00 0.00 -0.11 0.00 0.00 41.96 38.27 2h8d s TYR 49 CO 0.01 -1.13 0.00 -1.71 -1.11 0.00 0.00 175.55 171.62 2h8d n ASN 50 N 4.39 0.00 -0.14 2.29 5.15 -1.26 -4.86 115.26 120.83 2h8d n ASN 50 Ca 0.21 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 54.06 2h8d n ASN 50 Cb 0.45 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.69 2h8d n ASN 50 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2h8d h ALA 51 N 0.00 0.61 -0.56 5.20 0.00 -1.99 -0.43 119.26 122.08 2h8d h ALA 51 Ca 0.00 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 2h8d h ALA 51 Cb 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2h8d h ALA 51 CO 0.00 0.64 0.28 0.93 0.00 0.00 0.00 179.25 181.10 2h8d h GLU 52 N 0.78 0.81 -0.49 0.00 4.39 -1.98 0.60 114.58 118.68 2h8d h GLU 52 Ca 0.09 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 2h8d h GLU 52 Cb 0.87 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.35 2h8d h GLU 52 CO 0.08 0.65 0.27 0.00 -1.16 0.00 0.00 179.01 178.86 2h8d h ALA 53 N 1.11 1.56 0.01 3.43 0.00 -1.84 -1.74 119.26 121.78 2h8d h ALA 53 Ca 0.19 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 2h8d h ALA 53 Cb 0.11 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.70 2h8d h ALA 53 CO -0.03 0.37 -0.38 0.82 0.00 0.00 0.00 179.25 180.04 2h8d h ILE 54 N 0.68 1.52 0.00 0.00 2.04 -0.66 -2.79 117.51 118.30 2h8d h ILE 54 Ca 0.18 -2.04 0.00 0.00 1.00 0.00 0.00 64.86 63.99 2h8d h ILE 54 Cb 0.01 2.77 0.00 0.00 -0.74 0.00 0.00 36.82 38.87 2h8d h ILE 54 CO -0.03 0.57 0.00 -0.38 0.00 0.00 0.00 178.15 178.31 2h8d n ILE 55 N -4.40 0.88 0.84 -0.67 5.41 0.17 -1.50 119.36 120.08 2h8d n ILE 55 Ca -0.10 0.28 0.10 0.00 1.00 0.00 0.00 62.75 64.02 2h8d n ILE 55 Cb 0.57 -1.20 0.04 0.00 -0.71 0.00 0.00 39.64 38.35 2h8d n ILE 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2h8d n GLY 56 N -0.14 0.32 3.66 7.39 0.00 -0.67 -4.92 105.19 110.82 2h8d n GLY 56 Ca 0.02 -0.56 -0.43 0.00 0.00 0.00 0.00 46.02 45.05 2h8d n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2h8d s ASN 57 N -1.89 6.78 0.26 1.61 3.84 -0.56 -4.86 114.94 120.12 2h8d s ASN 57 Ca 0.20 2.03 -0.01 0.00 0.21 0.00 0.00 52.86 55.28 2h8d s ASN 57 Cb 0.16 -2.54 0.35 0.00 -0.55 0.00 0.00 41.25 38.67 2h8d s ASN 57 CO 0.35 -0.86 1.74 0.00 -2.79 0.00 0.00 177.10 175.55 2h8d h ALA 58 N 9.02 1.09 -0.37 1.71 0.00 -1.90 -1.62 119.26 127.18 2h8d h ALA 58 Ca -0.34 -0.29 -0.15 0.00 0.00 0.00 0.00 54.91 54.13 2h8d h ALA 58 Cb 1.15 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2h8d h ALA 58 CO 0.96 0.57 -0.35 -0.91 0.00 0.00 0.00 179.25 179.52 2h8d h ASN 59 N 0.65 0.90 -0.59 0.00 2.35 -1.89 0.11 115.58 117.12 2h8d h ASN 59 Ca 0.12 -0.39 -0.07 0.00 -0.55 0.00 0.00 56.30 55.41 2h8d h ASN 59 Cb 0.52 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 2h8d h ASN 59 CO 0.03 1.16 0.09 0.58 -1.65 0.00 0.00 177.43 177.64 2h8d h VAL 60 N 0.71 1.26 -0.16 2.81 2.07 -1.86 -1.42 116.25 119.65 2h8d h VAL 60 Ca 0.07 -0.99 -0.00 0.00 0.82 0.00 0.00 66.70 66.59 2h8d h VAL 60 Cb 0.91 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 2h8d h VAL 60 CO 0.08 0.37 0.08 0.00 0.02 0.00 0.00 177.57 178.12 2h8d h ALA 61 N 1.01 0.20 -0.41 1.67 0.00 -1.01 0.94 119.26 121.65 2h8d h ALA 61 Ca 0.18 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2h8d h ALA 61 Cb 0.43 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2h8d h ALA 61 CO 0.01 -0.25 0.15 0.00 0.00 0.00 0.00 179.25 179.16 2h8d h ALA 62 N 0.96 1.49 0.00 0.00 0.00 -0.68 -1.10 119.26 119.92 2h8d h ALA 62 Ca 0.05 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 2h8d h ALA 62 Cb 0.10 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2h8d h ALA 62 CO -0.01 0.39 -0.43 1.25 0.00 0.00 0.00 179.25 180.46 2h8d h HIS 63 N 0.59 0.00 0.00 0.00 6.17 -0.72 -2.29 115.15 118.89 2h8d h HIS 63 Ca 0.14 0.00 -0.10 0.00 0.71 0.00 0.00 60.37 61.12 2h8d h HIS 63 Cb 0.15 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 30.07 2h8d h HIS 63 CO 0.01 0.43 -0.46 0.78 0.71 0.00 0.00 177.93 179.39 2h8d h GLY 64 N 2.05 0.00 1.07 5.26 0.00 0.44 -1.71 103.07 110.19 2h8d h GLY 64 Ca -0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.15 2h8d h GLY 64 CO 0.06 0.00 -0.52 -2.22 0.00 0.00 0.00 176.54 173.85 2h8d h ILE 65 N 0.00 1.29 -0.23 2.60 2.04 -1.22 -2.72 117.51 119.27 2h8d h ILE 65 Ca -0.00 -1.72 0.02 0.00 1.00 0.00 0.00 64.86 64.15 2h8d h ILE 65 Cb 1.00 1.76 -0.02 0.00 -0.74 0.00 0.00 36.82 38.83 2h8d h ILE 65 CO 0.06 0.55 0.11 0.50 0.00 0.00 0.00 178.15 179.37 2h8d h LYS 66 N 0.52 0.23 -0.96 2.37 3.64 -1.18 -1.21 116.57 119.98 2h8d h LYS 66 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2h8d h LYS 66 Cb 1.13 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.85 2h8d h LYS 66 CO 0.12 0.15 0.61 0.28 -2.27 0.00 0.00 179.45 178.33 2h8d h VAL 67 N 0.23 1.26 -0.44 2.00 2.07 -1.33 -0.36 116.25 119.67 2h8d h VAL 67 Ca 0.10 -0.51 -0.09 0.00 0.82 0.00 0.00 66.70 67.01 2h8d h VAL 67 Cb 0.03 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 29.66 2h8d h VAL 67 CO -0.07 0.26 -0.09 0.25 0.02 0.00 0.00 177.57 177.94 2h8d h LEU 68 N 1.31 0.77 -1.40 2.57 5.85 -1.22 -0.86 115.31 122.33 2h8d h LEU 68 Ca 0.35 -0.22 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 2h8d h LEU 68 Cb -0.10 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.71 2h8d h LEU 68 CO -0.07 0.89 -0.26 0.45 -0.34 0.00 0.00 178.44 179.11 2h8d h HIS 69 N 0.72 0.00 0.00 1.25 3.86 -0.52 -1.83 115.15 118.63 2h8d h HIS 69 Ca 0.13 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 2h8d h HIS 69 Cb 0.56 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.03 2h8d h HIS 69 CO 0.03 0.26 0.00 0.41 0.86 0.00 0.00 177.93 179.49 2h8d n GLY 70 N -0.31 -0.90 0.16 2.45 0.00 -0.21 -1.64 105.19 104.73 2h8d n GLY 70 Ca -0.01 0.16 0.05 0.00 0.00 0.00 0.00 46.02 46.22 2h8d n GLY 70 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2h8d h LEU 71 N 0.00 0.00 -0.69 0.99 3.38 -1.29 -3.35 115.31 114.35 2h8d h LEU 71 Ca 0.00 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 2h8d h LEU 71 Cb 0.06 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.73 2h8d h LEU 71 CO 0.00 0.38 0.26 0.44 0.09 0.00 0.00 178.44 179.61 2h8d h ASP 72 N 0.00 0.24 0.10 -0.43 3.32 -1.44 -0.89 116.42 117.32 2h8d h ASP 72 Ca -0.01 0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 2h8d h ASP 72 Cb 1.30 0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.93 2h8d h ASP 72 CO 0.05 0.11 -0.09 0.08 -1.72 0.00 0.00 179.24 177.67 2h8d h ARG 73 N 0.42 0.00 -0.06 3.56 0.11 -1.75 -1.16 114.38 115.50 2h8d h ARG 73 Ca 0.37 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 60.29 2h8d h ARG 73 Cb 0.52 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.59 2h8d h ARG 73 CO -0.37 0.09 -0.65 0.78 0.10 0.00 0.00 179.97 179.91 2h8d h GLY 74 N 0.29 0.27 1.46 0.08 0.00 -1.40 0.12 103.07 103.90 2h8d h GLY 74 Ca -0.00 -0.36 -0.08 0.00 0.00 0.00 0.00 47.33 46.89 2h8d h GLY 74 CO 0.01 0.32 -0.08 -2.08 0.00 0.00 0.00 176.54 174.71 2h8d h VAL 75 N 0.18 1.24 -0.00 4.60 2.07 -0.97 -2.64 116.25 120.74 2h8d h VAL 75 Ca -0.01 -1.05 -0.16 0.00 0.82 0.00 0.00 66.70 66.30 2h8d h VAL 75 Cb 1.18 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 2h8d h VAL 75 CO 0.10 0.35 -0.77 0.50 0.02 0.00 0.00 177.57 177.77 2h8d h LYS 76 N 0.60 0.03 -1.98 1.57 1.63 -1.20 -3.36 116.57 113.86 2h8d h LYS 76 Ca 0.11 -0.03 -0.57 0.00 -0.85 0.00 0.00 60.65 59.31 2h8d h LYS 76 Cb 0.50 0.01 -0.42 0.00 -0.60 0.00 0.00 32.23 31.72 2h8d h LYS 76 CO 0.03 0.78 -0.73 0.09 -3.45 0.00 0.00 179.45 176.17 2h8d n ASN 77 N -3.64 4.16 0.27 4.20 3.02 0.02 -4.93 115.26 118.35 2h8d n ASN 77 Ca -0.01 -3.61 0.14 0.00 -0.03 0.00 0.00 54.58 51.07 2h8d n ASN 77 Cb 0.74 -0.53 0.74 0.00 -0.61 0.00 0.00 39.78 40.12 2h8d n ASN 77 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 2h8d h MET 78 N 2.86 0.00 -0.32 3.52 2.86 -1.65 -1.68 114.93 120.51 2h8d h MET 78 Ca 0.17 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 2h8d h MET 78 Cb 0.69 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.35 2h8d h MET 78 CO 0.79 0.11 0.00 -0.25 1.06 0.00 0.00 176.91 178.62 2h8d n ASP 79 N -3.53 3.30 -2.55 1.22 8.00 -1.26 -4.44 116.55 117.29 2h8d n ASP 79 Ca -0.02 -1.96 -0.06 0.00 0.71 0.00 0.00 54.79 53.47 2h8d n ASP 79 Cb 0.25 -0.20 0.04 0.00 -0.02 0.00 0.00 41.12 41.18 2h8d n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2h8d n ASN 80 N 1.38 2.37 -0.08 -2.24 5.15 -0.65 -4.93 115.26 116.26 2h8d n ASN 80 Ca 0.18 -2.47 -0.13 0.00 -0.60 0.00 0.00 54.58 51.55 2h8d n ASN 80 Cb 0.58 -0.44 -0.01 0.00 -0.53 0.00 0.00 39.78 39.37 2h8d n ASN 80 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 2h8d h ILE 81 N 4.76 1.28 -0.42 -1.44 2.04 -1.73 -1.87 117.51 120.13 2h8d h ILE 81 Ca -0.02 -1.67 0.08 0.00 1.00 0.00 0.00 64.86 64.26 2h8d h ILE 81 Cb 1.36 1.55 -0.07 0.00 -0.74 0.00 0.00 36.82 38.91 2h8d h ILE 81 CO 0.32 0.55 -0.03 0.00 0.00 0.00 0.00 178.15 178.98 2h8d h ALA 82 N 0.78 0.36 -0.53 1.87 0.00 -1.91 -1.90 119.26 117.93 2h8d h ALA 82 Ca 0.03 0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 2h8d h ALA 82 Cb 1.07 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 2h8d h ALA 82 CO 0.11 -0.41 -0.10 0.00 0.00 0.00 0.00 179.25 178.85 2h8d h ALA 83 N 1.38 0.83 -0.99 0.00 0.00 -1.94 -2.40 119.26 116.14 2h8d h ALA 83 Ca 0.21 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.79 2h8d h ALA 83 Cb 0.30 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 2h8d h ALA 83 CO -0.37 0.66 0.65 1.15 0.00 0.00 0.00 179.25 181.34 2h8d h THR 84 N 0.88 1.25 -0.19 0.00 2.02 -0.91 -2.47 112.91 113.48 2h8d h THR 84 Ca 0.14 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.86 2h8d h THR 84 Cb 0.65 -0.20 0.00 0.00 -1.74 0.00 0.00 68.15 66.86 2h8d h THR 84 CO 0.04 0.24 0.00 -1.22 0.37 0.00 0.00 175.52 174.96 2h8d n TYR 85 N -4.39 0.25 -0.15 3.16 4.01 -0.75 -4.43 117.16 114.86 2h8d n TYR 85 Ca 0.12 -0.12 -0.08 0.00 -0.16 0.00 0.00 57.90 57.66 2h8d n TYR 85 Cb 0.02 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.06 2h8d n TYR 85 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2h8d h ALA 86 N 4.04 0.56 0.00 -0.72 0.00 -0.94 0.19 119.26 122.39 2h8d h ALA 86 Ca 0.00 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 2h8d h ALA 86 Cb 0.51 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2h8d h ALA 86 CO 0.00 0.03 -0.59 -0.44 0.00 0.00 0.00 179.25 178.25 2h8d h ASP 87 N 0.60 0.00 -0.13 0.00 3.32 -1.80 0.99 116.42 119.40 2h8d h ASP 87 Ca 0.16 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.12 2h8d h ASP 87 Cb -0.05 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 2h8d h ASP 87 CO -0.03 0.59 -0.22 0.25 -1.72 0.00 0.00 179.24 178.11 2h8d h LEU 88 N 0.00 0.56 -0.46 1.55 5.85 -1.72 -1.47 115.31 119.62 2h8d h LEU 88 Ca -0.01 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.49 2h8d h LEU 88 Cb 1.15 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 2h8d h LEU 88 CO 0.08 0.78 0.16 -1.28 -0.34 0.00 0.00 178.44 177.83 2h8d h SER 89 N 0.50 0.66 0.26 1.25 0.87 -0.10 -1.80 113.55 115.19 2h8d h SER 89 Ca 0.08 -0.20 -0.07 0.00 -1.23 0.00 0.00 61.79 60.37 2h8d h SER 89 Cb 0.66 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 2h8d h SER 89 CO 0.05 0.68 -0.31 0.74 -0.53 0.00 0.00 176.83 177.46 2h8d h THR 90 N 0.61 1.24 -0.20 2.23 2.02 -0.32 -2.08 112.91 116.41 2h8d h THR 90 Ca 0.15 -1.14 -0.11 0.00 0.77 0.00 0.00 66.41 66.08 2h8d h THR 90 Cb 0.25 1.55 -0.00 0.00 -1.74 0.00 0.00 68.15 68.21 2h8d h THR 90 CO -0.01 0.33 -0.29 0.25 0.37 0.00 0.00 175.52 176.18 2h8d h LEU 91 N 0.08 0.60 -0.70 2.58 5.85 -1.01 -1.18 115.31 121.54 2h8d h LEU 91 Ca 0.01 -0.51 -0.04 0.00 0.84 0.00 0.00 57.88 58.18 2h8d h LEU 91 Cb 0.59 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 2h8d h LEU 91 CO 0.04 1.00 0.29 0.45 -0.34 0.00 0.00 178.44 179.88 2h8d h HIS 92 N 0.22 1.05 -0.00 1.25 3.86 -1.12 0.13 115.15 120.54 2h8d h HIS 92 Ca 0.02 -0.07 -0.00 0.00 -1.16 0.00 0.00 60.37 59.16 2h8d h HIS 92 Cb 0.86 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 29.02 2h8d h HIS 92 CO 0.09 0.81 -0.01 1.03 0.86 0.00 0.00 177.93 180.70 2h8d h SER 93 N 0.99 0.01 0.59 2.45 0.87 -1.40 0.37 113.55 117.43 2h8d h SER 93 Ca 0.23 -0.77 -0.09 0.00 -1.23 0.00 0.00 61.79 59.93 2h8d h SER 93 Cb 0.19 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.13 2h8d h SER 93 CO -0.02 0.78 -1.48 -0.62 -0.53 0.00 0.00 176.83 174.95 2h8d n GLU 94 N -4.71 0.63 -0.10 2.24 1.02 -0.45 -3.39 120.64 115.88 2h8d n GLU 94 Ca -0.09 0.08 -0.20 0.00 -0.02 0.00 0.00 57.16 56.93 2h8d n GLU 94 Cb 0.38 -1.73 -0.08 0.00 -0.02 0.00 0.00 31.44 30.00 2h8d n GLU 94 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2h8d n LYS 95 N -2.67 0.44 0.03 3.49 4.81 -0.10 -4.73 118.16 119.43 2h8d n LYS 95 Ca -0.07 0.17 -0.00 0.00 -0.87 0.00 0.00 58.31 57.54 2h8d n LYS 95 Cb 0.71 -1.26 -0.08 0.00 0.02 0.00 0.00 35.03 34.41 2h8d n LYS 95 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2h8d n LEU 96 N -3.71 0.86 -3.17 3.14 4.77 -0.39 -5.00 117.00 113.50 2h8d n LEU 96 Ca -0.39 0.38 -0.22 0.00 -0.03 0.00 0.00 56.01 55.75 2h8d n LEU 96 Cb 0.80 0.08 0.06 0.00 -2.33 0.00 0.00 43.42 42.03 2h8d n LEU 96 CO 0.06 0.15 0.14 1.41 -1.33 0.00 0.00 177.39 177.83 2h8d n HIS 97 N -2.89 -2.37 -2.75 -1.77 8.25 0.12 -4.97 115.22 108.85 2h8d n HIS 97 Ca -0.10 0.77 -0.42 0.00 -0.26 0.00 0.00 57.72 57.71 2h8d n HIS 97 Cb 0.85 -4.58 -0.03 0.00 1.12 0.00 0.00 29.99 27.34 2h8d n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2h8d s VAL 98 N -3.24 4.77 0.10 1.59 1.01 -0.51 -5.00 120.40 119.12 2h8d s VAL 98 Ca 0.45 1.88 -0.31 0.00 0.00 0.00 0.00 61.98 63.99 2h8d s VAL 98 Cb -0.20 -4.25 -0.11 0.00 0.00 0.00 0.00 36.38 31.83 2h8d s VAL 98 CO 0.55 -0.09 1.85 -0.67 0.00 0.00 0.00 175.10 176.75 2h8d n ASP 99 N 5.79 4.00 0.07 3.32 -0.08 -1.26 -4.75 116.55 123.64 2h8d n ASP 99 Ca 0.09 0.98 0.09 0.00 -1.51 0.00 0.00 54.79 54.44 2h8d n ASP 99 Cb 0.47 -1.53 0.39 0.00 2.34 0.00 0.00 41.12 42.80 2h8d n ASP 99 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2h8d n PRO 100 N 5.91 0.10 0.19 -0.67 -0.04 -1.26 -1.85 135.00 137.38 2h8d n PRO 100 Ca 0.19 0.35 0.04 0.00 -0.04 0.00 0.00 63.50 64.03 2h8d n PRO 100 Cb 0.37 -1.69 0.40 0.00 -0.04 0.00 0.00 33.50 32.54 2h8d n PRO 100 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2h8d h ASP 101 N 0.00 0.00 -0.09 3.54 3.58 -2.00 -1.03 116.42 120.42 2h8d h ASP 101 Ca 0.00 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.48 2h8d h ASP 101 Cb 0.29 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.34 2h8d h ASP 101 CO 0.00 0.34 0.09 0.78 -2.88 0.00 0.00 179.24 177.57 2h8d h ASN 102 N 0.00 0.00 -0.52 2.28 -0.26 -1.75 -1.07 115.58 114.26 2h8d h ASN 102 Ca -0.00 0.00 -0.09 0.00 -0.56 0.00 0.00 56.30 55.65 2h8d h ASN 102 Cb 0.63 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.87 2h8d h ASN 102 CO 0.04 0.00 -0.00 -0.26 -1.06 0.00 0.00 177.43 176.15 2h8d h PHE 103 N 0.00 1.04 -0.53 1.19 0.04 -1.34 -0.57 116.94 116.77 2h8d h PHE 103 Ca 0.04 -0.17 -0.08 0.00 2.80 0.00 0.00 57.97 60.56 2h8d h PHE 103 Cb 0.22 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.07 2h8d h PHE 103 CO 0.00 0.93 -0.00 -0.22 -0.60 0.00 0.00 178.31 178.42 2h8d h LYS 104 N 0.89 0.93 -0.12 1.51 3.64 -1.28 -1.16 116.57 120.98 2h8d h LYS 104 Ca 0.16 -0.30 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 2h8d h LYS 104 Cb 0.52 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.25 2h8d h LYS 104 CO 0.03 0.95 -0.00 -0.07 -2.27 0.00 0.00 179.45 178.08 2h8d h LEU 105 N 0.80 0.22 -0.97 5.20 3.38 -1.22 -0.58 115.31 122.14 2h8d h LEU 105 Ca 0.15 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.82 2h8d h LEU 105 Cb 0.53 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 2h8d h LEU 105 CO 0.03 0.48 0.64 0.25 0.09 0.00 0.00 178.44 179.92 2h8d h LEU 106 N -0.05 1.12 -0.54 1.67 5.85 -1.09 -2.09 115.31 120.19 2h8d h LEU 106 Ca 0.04 -0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.80 2h8d h LEU 106 Cb 0.36 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.05 2h8d h LEU 106 CO 0.01 0.82 0.19 0.28 -0.34 0.00 0.00 178.44 179.39 2h8d h SER 107 N 1.32 0.18 -0.24 1.25 0.02 -0.64 0.23 113.55 115.68 2h8d h SER 107 Ca 0.36 0.07 -0.07 0.00 -0.84 0.00 0.00 61.79 61.30 2h8d h SER 107 Cb -0.15 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 2h8d h SER 107 CO -0.08 0.12 -0.08 0.44 -1.14 0.00 0.00 176.83 176.09 2h8d h ASP 108 N 0.36 0.60 -0.46 3.07 3.32 -0.72 -1.20 116.42 121.40 2h8d h ASP 108 Ca 0.27 -0.15 -0.11 0.00 0.02 0.00 0.00 57.03 57.05 2h8d h ASP 108 Cb 0.31 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 2h8d h ASP 108 CO -0.28 0.72 -0.14 0.00 -1.72 0.00 0.00 179.24 177.83 2h8d h ILE 110 N 0.75 1.12 -0.79 0.00 2.04 -0.20 -0.08 117.51 120.35 2h8d h ILE 110 Ca 0.11 -0.29 0.02 0.00 1.00 0.00 0.00 64.86 65.69 2h8d h ILE 110 Cb 0.70 0.19 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 2h8d h ILE 110 CO 0.05 0.16 0.51 0.74 0.00 0.00 0.00 178.15 179.61 2h8d h THR 111 N 0.86 1.17 -0.12 -0.27 2.02 -0.81 0.17 112.91 115.94 2h8d h THR 111 Ca 0.26 -0.36 -0.17 0.00 0.77 0.00 0.00 66.41 66.92 2h8d h THR 111 Cb -0.03 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.42 2h8d h THR 111 CO -0.09 0.19 -0.63 0.40 0.37 0.00 0.00 175.52 175.76 2h8d h ILE 112 N 1.04 1.35 -0.36 3.11 2.04 -0.62 -1.29 117.51 122.79 2h8d h ILE 112 Ca 0.30 -1.97 -0.12 0.00 1.00 0.00 0.00 64.86 64.07 2h8d h ILE 112 Cb -0.08 1.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 2h8d h ILE 112 CO -0.08 0.60 -0.25 0.58 0.00 0.00 0.00 178.15 179.00 2h8d h VAL 113 N 0.32 1.29 -0.93 1.67 2.07 -0.75 -2.52 116.25 117.40 2h8d h VAL 113 Ca -0.01 -1.40 -0.01 0.00 0.82 0.00 0.00 66.70 66.10 2h8d h VAL 113 Cb 1.18 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 32.31 2h8d h VAL 113 CO 0.11 0.46 0.54 0.25 0.02 0.00 0.00 177.57 178.96 2h8d h LEU 114 N 0.58 1.12 -1.31 2.57 5.85 -0.87 -1.85 115.31 121.40 2h8d h LEU 114 Ca 0.07 -0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.77 2h8d h LEU 114 Cb 0.81 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.51 2h8d h LEU 114 CO 0.07 0.87 0.50 0.00 -0.34 0.00 0.00 178.44 179.54 2h8d h ALA 115 N 1.32 1.63 0.02 1.25 0.00 -1.11 0.11 119.26 122.47 2h8d h ALA 115 Ca 0.33 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 55.00 2h8d h ALA 115 Cb -0.03 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 2h8d h ALA 115 CO -0.06 0.27 -0.95 0.00 0.00 0.00 0.00 179.25 178.51 2h8d h ALA 116 N 1.58 0.40 -0.16 0.00 0.00 -1.00 -1.28 119.26 118.79 2h8d h ALA 116 Ca 0.32 -0.74 -0.16 0.00 0.00 0.00 0.00 54.91 54.33 2h8d h ALA 116 Cb 0.19 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.94 2h8d h ALA 116 CO -0.11 0.88 -0.53 -0.22 0.00 0.00 0.00 179.25 179.27 2h8d h LYS 117 N 0.16 0.64 0.00 0.00 3.64 -0.75 -3.33 116.57 116.93 2h8d h LYS 117 Ca -0.07 -0.48 -0.01 0.00 -1.27 0.00 0.00 60.65 58.83 2h8d h LYS 117 Cb 1.59 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 33.50 2h8d h LYS 117 CO 0.15 1.10 -0.09 0.52 -2.27 0.00 0.00 179.45 178.86 2h8d h MET 118 N 0.31 0.00 0.00 1.90 2.86 -0.84 -3.49 114.93 115.66 2h8d h MET 118 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2h8d h MET 118 Cb 1.16 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.82 2h8d h MET 118 CO 0.11 0.04 0.00 0.41 1.06 0.00 0.00 176.91 178.53 2h8d n GLY 119 N 1.11 1.78 0.00 8.32 0.00 -0.48 -2.21 105.19 113.71 2h8d n GLY 119 Ca 0.04 -0.61 0.11 0.00 0.00 0.00 0.00 46.02 45.55 2h8d n GLY 119 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2h8d n HIS 120 N 11.32 0.00 0.27 1.61 8.25 -1.26 -1.56 115.22 133.84 2h8d n HIS 120 Ca 0.00 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.62 2h8d n HIS 120 Cb 0.00 -0.30 0.69 0.00 1.12 0.00 0.00 29.99 31.50 2h8d n HIS 120 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2h8d h ALA 121 N 3.00 1.03 0.00 -1.41 0.00 -1.84 -3.34 119.26 116.70 2h8d h ALA 121 Ca 0.00 -0.05 -0.69 0.00 0.00 0.00 0.00 54.91 54.17 2h8d h ALA 121 Cb 0.21 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2h8d h ALA 121 CO 0.00 0.07 2.97 0.34 0.00 0.00 0.00 179.25 182.63 2h8d n PHE 122 N -3.19 3.12 -0.98 0.00 7.35 -0.60 -4.88 117.46 118.27 2h8d n PHE 122 Ca 0.00 -2.71 -0.28 0.00 -0.76 0.00 0.00 57.45 53.69 2h8d n PHE 122 Cb 0.31 -2.36 0.21 0.00 0.35 0.00 0.00 39.48 37.98 2h8d n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2h8d s THR 123 N 3.57 1.97 0.18 -2.13 -4.23 -1.26 -4.67 115.64 109.08 2h8d s THR 123 Ca 0.50 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.88 2h8d s THR 123 Cb 0.14 -2.37 0.08 0.00 1.34 0.00 0.00 72.50 71.69 2h8d s THR 123 CO -0.04 0.00 1.77 0.00 -0.54 0.00 0.00 174.62 175.81 2h8d h ALA 124 N -2.20 0.62 -0.16 3.99 0.00 -1.93 0.29 119.26 119.87 2h8d h ALA 124 Ca -0.57 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.29 2h8d h ALA 124 Cb 1.33 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2h8d h ALA 124 CO 0.55 -0.14 -0.31 1.49 0.00 0.00 0.00 179.25 180.84 2h8d h GLU 125 N 0.44 0.32 -0.41 0.00 4.81 -1.98 -1.49 114.58 116.27 2h8d h GLU 125 Ca 0.22 -0.12 -0.08 0.00 -0.13 0.00 0.00 59.36 59.24 2h8d h GLU 125 Cb 0.17 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 2h8d h GLU 125 CO -0.18 0.60 -0.08 1.15 -0.73 0.00 0.00 179.01 179.77 2h8d h THR 126 N 0.28 1.27 -0.86 0.32 2.02 -1.60 -2.56 112.91 111.78 2h8d h THR 126 Ca 0.04 -1.16 -0.00 0.00 0.77 0.00 0.00 66.41 66.06 2h8d h THR 126 Cb 0.69 1.18 -0.04 0.00 -1.74 0.00 0.00 68.15 68.24 2h8d h THR 126 CO 0.05 0.39 0.53 -0.61 0.37 0.00 0.00 175.52 176.25 2h8d h GLN 127 N 0.59 1.16 0.25 6.66 4.15 -0.74 -1.18 115.11 126.01 2h8d h GLN 127 Ca 0.11 -0.10 -0.01 0.00 0.77 0.00 0.00 58.65 59.43 2h8d h GLN 127 Cb 0.59 -0.25 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 2h8d h GLN 127 CO 0.04 0.80 -0.17 0.78 -1.93 0.00 0.00 178.83 178.35 2h8d h GLY 128 N 1.19 -0.42 0.98 2.39 0.00 -1.01 0.21 103.07 106.40 2h8d h GLY 128 Ca 0.31 0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.82 2h8d h GLY 128 CO -0.06 -0.17 0.24 0.00 0.00 0.00 0.00 176.54 176.55 2h8d h ALA 129 N 0.31 0.54 -0.30 3.60 0.00 -1.35 0.71 119.26 122.77 2h8d h ALA 129 Ca -0.02 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2h8d h ALA 129 Cb 0.35 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2h8d h ALA 129 CO 0.02 0.05 0.04 0.35 0.00 0.00 0.00 179.25 179.71 2h8d h PHE 130 N 0.55 0.54 -0.50 0.00 3.57 -0.95 -1.26 116.94 118.88 2h8d h PHE 130 Ca 0.15 -0.08 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 2h8d h PHE 130 Cb 0.03 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 2h8d h PHE 130 CO -0.03 0.60 0.05 1.96 -2.23 0.00 0.00 178.31 178.66 2h8d h GLN 131 N 0.32 0.80 -0.36 1.11 4.20 -0.55 -1.37 115.11 119.25 2h8d h GLN 131 Ca 0.09 -0.19 0.04 0.00 0.06 0.00 0.00 58.65 58.65 2h8d h GLN 131 Cb 0.36 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.99 2h8d h GLN 131 CO 0.01 0.77 0.11 -0.22 -0.67 0.00 0.00 178.83 178.84 2h8d h LYS 132 N 0.76 0.25 -0.03 1.46 3.64 -0.49 0.12 116.57 122.28 2h8d h LYS 132 Ca 0.16 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2h8d h LYS 132 Cb 0.39 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.15 2h8d h LYS 132 CO 0.01 0.17 0.02 0.35 -2.27 0.00 0.00 179.45 177.72 2h8d h PHE 133 N 0.26 0.03 -0.79 1.91 3.57 -0.82 -1.66 116.94 119.45 2h8d h PHE 133 Ca 0.17 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 2h8d h PHE 133 Cb 0.15 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.84 2h8d h PHE 133 CO -0.15 0.02 0.43 -0.07 -2.23 0.00 0.00 178.31 176.31 2h8d h LEU 134 N 0.04 0.97 -0.99 0.59 3.38 -0.97 -1.72 115.31 116.61 2h8d h LEU 134 Ca 0.01 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 2h8d h LEU 134 Cb -0.00 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 2h8d h LEU 134 CO -0.01 0.78 0.26 0.00 0.09 0.00 0.00 178.44 179.56 2h8d h ALA 135 N 1.38 1.19 -0.12 1.53 0.00 -0.42 0.19 119.26 123.02 2h8d h ALA 135 Ca 0.28 -0.18 -0.18 0.00 0.00 0.00 0.00 54.91 54.83 2h8d h ALA 135 Cb 0.02 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 2h8d h ALA 135 CO -0.05 0.58 -0.67 0.28 0.00 0.00 0.00 179.25 179.40 2h8d h VAL 136 N 0.97 1.35 -0.54 0.00 2.07 -0.71 -0.60 116.25 118.79 2h8d h VAL 136 Ca 0.22 -2.00 -0.12 0.00 0.82 0.00 0.00 66.70 65.62 2h8d h VAL 136 Cb 0.20 1.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 2h8d h VAL 136 CO -0.02 0.61 -0.13 0.58 0.02 0.00 0.00 177.57 178.63 2h8d h VAL 137 N 0.35 1.27 -0.59 2.57 2.07 -1.05 -2.56 116.25 118.30 2h8d h VAL 137 Ca -0.02 -1.30 -0.05 0.00 0.82 0.00 0.00 66.70 66.15 2h8d h VAL 137 Cb 1.24 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 2h8d h VAL 137 CO 0.12 0.46 0.15 0.58 0.02 0.00 0.00 177.57 178.90 2h8d h VAL 138 N 0.91 1.24 -0.71 2.57 2.07 -0.45 -0.43 116.25 121.45 2h8d h VAL 138 Ca 0.14 -0.85 -0.06 0.00 0.82 0.00 0.00 66.70 66.74 2h8d h VAL 138 Cb 0.71 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 2h8d h VAL 138 CO 0.05 0.32 0.19 0.28 0.02 0.00 0.00 177.57 178.44 2h8d h SER 139 N 0.88 1.06 0.02 0.57 0.02 -0.87 -2.26 113.55 112.96 2h8d h SER 139 Ca 0.19 -0.22 0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2h8d h SER 139 Cb 0.31 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 2h8d h SER 139 CO -0.00 1.00 -0.12 0.00 -1.14 0.00 0.00 176.83 176.57 2h8d h ALA 140 N 1.09 -0.15 -0.18 3.77 0.00 -1.17 -2.05 119.26 120.57 2h8d h ALA 140 Ca 0.22 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.19 2h8d h ALA 140 Cb 0.35 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2h8d h ALA 140 CO -0.00 -0.62 0.14 -0.07 0.00 0.00 0.00 179.25 178.70 2h8d h LEU 141 N -0.21 0.00 -0.61 0.00 3.38 -0.92 -0.97 115.31 115.98 2h8d h LEU 141 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2h8d h LEU 141 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2h8d h LEU 141 CO -0.10 0.00 -0.19 0.61 0.09 0.00 0.00 178.44 178.85 2h8d n GLY 142 N -1.54 -0.46 0.24 0.83 0.00 -0.87 -4.48 105.19 98.92 2h8d n GLY 142 Ca 0.01 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.52 2h8d n GLY 142 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2h8d h LYS 143 N 1.50 0.75 -0.88 1.61 3.11 -0.48 -3.22 116.57 118.95 2h8d h LYS 143 Ca 0.00 -0.40 -0.23 0.00 -2.81 0.00 0.00 60.65 57.21 2h8d h LYS 143 Cb 0.50 0.02 -0.14 0.00 -1.00 0.00 0.00 32.23 31.61 2h8d h LYS 143 CO 0.00 1.02 0.30 1.04 -2.81 0.00 0.00 179.45 179.00 2h8d n GLN 144 N -4.03 2.67 -2.87 1.90 1.13 -1.26 -4.83 117.38 110.09 2h8d n GLN 144 Ca -0.02 -2.25 -0.43 0.00 -1.94 0.00 0.00 57.00 52.36 2h8d n GLN 144 Cb 0.54 -1.94 -0.04 0.00 0.11 0.00 0.00 30.24 28.91 2h8d n GLN 144 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 2h8d s TYR 145 N -2.37 2.83 -1.28 1.08 1.51 -1.22 -4.71 117.35 113.19 2h8d s TYR 145 Ca 0.41 -0.03 0.10 0.00 -1.01 0.00 0.00 57.07 56.55 2h8d s TYR 145 Cb 0.33 -4.00 0.08 0.00 -0.11 0.00 0.00 41.96 38.26 2h8d s TYR 145 CO 0.09 -1.29 0.82 0.72 -1.11 0.00 0.00 175.55 174.79