#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vpf s VAL 15 N 0.00 3.49 0.58 2.52 1.01 -1.26 -4.97 120.40 121.77 1vpf s VAL 15 Ca 0.00 0.95 -0.20 0.00 0.00 0.00 0.00 61.98 62.73 1vpf s VAL 15 Cb 0.00 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 1vpf s VAL 15 CO 0.00 0.02 1.26 -0.54 0.00 0.00 0.00 175.10 175.84 1vpf s LYS 16 N 2.12 2.98 0.27 2.72 -0.14 -1.26 -4.81 119.74 121.61 1vpf s LYS 16 Ca 0.66 1.97 -0.01 0.00 -1.36 0.00 0.00 55.97 57.23 1vpf s LYS 16 Cb -0.34 -2.02 0.60 0.00 -1.68 0.00 0.00 37.83 34.38 1vpf s LYS 16 CO 0.28 -1.24 1.68 0.35 -0.76 0.00 0.00 175.35 175.67 1vpf h PHE 17 N 1.04 0.42 -0.20 3.18 3.57 -2.00 -0.85 116.94 122.10 1vpf h PHE 17 Ca -0.51 0.04 -0.09 0.00 3.53 0.00 0.00 57.97 60.95 1vpf h PHE 17 Cb 1.30 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.97 1vpf h PHE 17 CO 0.46 -0.09 -0.26 0.52 -2.23 0.00 0.00 178.31 176.70 1vpf h MET 18 N 0.31 0.37 -0.30 1.11 2.86 -1.98 0.61 114.93 117.91 1vpf h MET 18 Ca 0.49 -0.14 -0.06 0.00 -2.06 0.00 0.00 59.70 57.94 1vpf h MET 18 Cb 0.90 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.53 1vpf h MET 18 CO -0.55 0.61 -0.05 -0.44 1.06 0.00 0.00 176.91 177.55 1vpf h ASP 19 N 0.33 0.55 -0.50 1.22 3.32 -1.54 -0.98 116.42 118.83 1vpf h ASP 19 Ca 0.05 -0.35 -0.03 0.00 0.02 0.00 0.00 57.03 56.72 1vpf h ASP 19 Cb 0.64 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 1vpf h ASP 19 CO 0.05 0.77 0.18 0.58 -1.72 0.00 0.00 179.24 179.09 1vpf h VAL 20 N 0.33 1.22 0.02 -1.35 2.07 -1.24 -1.53 116.25 115.77 1vpf h VAL 20 Ca 0.08 -0.71 -0.00 0.00 0.82 0.00 0.00 66.70 66.88 1vpf h VAL 20 Cb 0.51 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1vpf h VAL 20 CO 0.02 0.27 -0.01 0.22 0.02 0.00 0.00 177.57 178.09 1vpf h TYR 21 N 0.67 -0.02 -0.14 1.57 3.20 -0.68 -0.96 116.97 120.61 1vpf h TYR 21 Ca 0.16 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 1vpf h TYR 21 Cb 0.24 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 1vpf h TYR 21 CO 0.01 0.01 0.04 1.96 -1.64 0.00 0.00 178.16 178.54 1vpf h GLN 22 N -0.05 0.21 0.00 1.82 7.50 -1.13 -2.56 115.11 120.91 1vpf h GLN 22 Ca -0.00 -0.05 -0.04 0.00 0.50 0.00 0.00 58.65 59.06 1vpf h GLN 22 Cb 0.04 -0.03 -0.01 0.00 0.05 0.00 0.00 27.48 27.53 1vpf h GLN 22 CO 0.00 0.34 -0.19 0.00 -1.50 0.00 0.00 178.83 177.48 1vpf h ARG 23 N 0.04 0.00 0.00 1.46 3.08 -1.22 -3.02 114.38 114.71 1vpf h ARG 23 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1vpf h ARG 23 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 1vpf h ARG 23 CO -0.00 0.19 -0.92 -1.13 -1.07 0.00 0.00 179.97 177.04 1vpf n SER 24 N -4.27 0.64 -4.75 7.04 3.41 -0.37 -4.95 113.62 110.38 1vpf n SER 24 Ca -0.02 -0.32 -0.41 0.00 -0.26 0.00 0.00 58.87 57.86 1vpf n SER 24 Cb 0.26 0.72 -0.02 0.00 -0.26 0.00 0.00 64.21 64.90 1vpf n SER 24 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1vpf s TYR 25 N -3.13 2.99 -0.21 7.33 5.04 -0.97 -1.49 117.35 126.91 1vpf s TYR 25 Ca 0.06 1.06 -0.20 0.00 -2.44 0.00 0.00 57.07 55.55 1vpf s TYR 25 Cb 0.15 -3.83 -0.08 0.00 0.35 0.00 0.00 41.96 38.55 1vpf s TYR 25 CO 0.79 -2.63 0.73 0.00 -1.34 0.00 0.00 175.55 173.10 1vpf s HIS 27 N 1.57 -0.24 0.04 0.00 -3.43 -0.81 -4.85 115.29 107.57 1vpf s HIS 27 Ca 0.46 0.08 -0.30 0.00 -0.80 0.00 0.00 55.06 54.50 1vpf s HIS 27 Cb -0.64 0.56 -0.05 0.00 -1.43 0.00 0.00 32.58 31.02 1vpf s HIS 27 CO 0.33 -0.53 1.25 -2.14 -2.00 0.00 0.00 174.74 171.66 1vpf s PRO 28 N -2.98 4.38 0.04 -0.38 0.02 -1.26 -1.66 135.00 133.15 1vpf s PRO 28 Ca 0.08 1.82 0.04 0.00 0.02 0.00 0.00 61.00 62.96 1vpf s PRO 28 Cb -0.01 -3.40 -0.02 0.00 0.02 0.00 0.00 34.50 31.09 1vpf s PRO 28 CO -0.05 -0.36 -0.12 -1.50 -0.33 0.00 0.00 177.00 174.64 1vpf s ILE 29 N 1.45 0.89 -0.03 2.83 2.07 0.00 -4.88 121.20 123.54 1vpf s ILE 29 Ca 0.60 -0.95 -0.30 0.00 -1.41 0.00 0.00 60.65 58.58 1vpf s ILE 29 Cb -0.30 -0.84 -0.06 0.00 0.13 0.00 0.00 42.46 41.39 1vpf s ILE 29 CO 0.28 -0.09 1.59 -0.70 -1.91 0.00 0.00 174.94 174.11 1vpf s GLU 30 N -1.18 4.20 -0.07 3.50 2.12 -1.26 -1.87 118.70 124.14 1vpf s GLU 30 Ca -0.01 2.16 0.04 0.00 0.36 0.00 0.00 54.97 57.51 1vpf s GLU 30 Cb -0.08 -3.83 0.00 0.00 0.26 0.00 0.00 34.13 30.48 1vpf s GLU 30 CO 0.01 -0.77 -0.19 0.99 -0.54 0.00 0.00 175.26 174.76 1vpf s THR 31 N 3.47 1.63 -0.47 -1.70 2.01 0.11 -4.95 115.64 115.74 1vpf s THR 31 Ca 0.71 -0.79 -0.24 0.00 0.31 0.00 0.00 61.69 61.68 1vpf s THR 31 Cb -0.34 -1.42 0.03 0.00 0.01 0.00 0.00 72.50 70.78 1vpf s THR 31 CO 0.29 0.46 0.87 -0.76 -0.69 0.00 0.00 174.62 174.79 1vpf s LEU 32 N 0.32 4.13 0.01 4.42 1.43 -1.26 -0.98 118.68 126.75 1vpf s LEU 32 Ca -0.13 -0.03 0.01 0.00 -1.03 0.00 0.00 54.13 52.95 1vpf s LEU 32 Cb -0.15 -3.06 -0.04 0.00 0.03 0.00 0.00 46.19 42.97 1vpf s LEU 32 CO 0.05 -1.01 0.07 -0.69 0.23 0.00 0.00 176.35 175.00 1vpf s VAL 33 N 3.57 4.59 0.15 -1.59 1.01 -0.12 -4.90 120.40 123.11 1vpf s VAL 33 Ca 0.33 -0.52 -0.28 0.00 0.00 0.00 0.00 61.98 61.51 1vpf s VAL 33 Cb -0.11 -3.11 -0.07 0.00 0.00 0.00 0.00 36.38 33.08 1vpf s VAL 33 CO 0.24 0.31 0.89 -0.62 0.00 0.00 0.00 175.10 175.92 1vpf s ASP 34 N -1.84 7.48 0.38 3.32 2.15 -1.26 -0.40 116.67 126.50 1vpf s ASP 34 Ca 0.24 1.76 0.05 0.00 0.43 0.00 0.00 52.55 55.02 1vpf s ASP 34 Cb -0.12 -2.56 0.76 0.00 -0.30 0.00 0.00 42.92 40.71 1vpf s ASP 34 CO 0.15 0.06 2.04 0.40 -0.17 0.00 0.00 175.17 177.65 1vpf h ILE 35 N 3.66 1.13 -0.57 4.11 2.04 -1.35 -2.44 117.51 124.10 1vpf h ILE 35 Ca -0.44 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.18 1vpf h ILE 35 Cb 1.21 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 1vpf h ILE 35 CO 0.69 0.13 0.37 -0.26 0.00 0.00 0.00 178.15 179.08 1vpf h PHE 36 N 0.68 0.72 -0.48 1.37 0.04 -1.82 0.42 116.94 117.88 1vpf h PHE 36 Ca 0.18 0.01 -0.07 0.00 2.80 0.00 0.00 57.97 60.90 1vpf h PHE 36 Cb -0.08 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 37.81 1vpf h PHE 36 CO 0.00 0.46 0.03 0.37 -0.60 0.00 0.00 178.31 178.56 1vpf h GLN 37 N 0.77 0.78 0.03 1.51 -0.00 -1.84 -1.79 115.11 114.57 1vpf h GLN 37 Ca 0.21 -0.20 -0.23 0.00 -0.00 0.00 0.00 58.65 58.44 1vpf h GLN 37 Cb -0.08 -0.10 0.02 0.00 0.00 0.00 0.00 27.48 27.32 1vpf h GLN 37 CO -0.04 0.77 -0.90 0.93 0.00 0.00 0.00 178.83 179.58 1vpf h GLU 38 N 0.74 0.56 -2.75 1.69 4.39 -1.21 -3.38 114.58 114.62 1vpf h GLU 38 Ca 0.15 -0.64 -0.61 0.00 0.34 0.00 0.00 59.36 58.60 1vpf h GLU 38 Cb 0.41 0.19 -0.42 0.00 -0.10 0.00 0.00 28.75 28.83 1vpf h GLU 38 CO 0.01 1.25 -0.58 0.66 -1.16 0.00 0.00 179.01 179.19 1vpf n TYR 39 N -4.00 3.37 0.30 4.33 4.02 0.01 -4.94 117.16 120.25 1vpf n TYR 39 Ca -0.11 -4.25 0.13 0.00 -0.01 0.00 0.00 57.90 53.66 1vpf n TYR 39 Cb 0.82 -0.60 0.62 0.00 -0.02 0.00 0.00 39.34 40.16 1vpf n TYR 39 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1vpf h PRO 40 N 4.94 0.00 -0.10 -0.72 0.13 -1.51 -3.10 132.00 131.64 1vpf h PRO 40 Ca 0.17 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.25 1vpf h PRO 40 Cb 0.72 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.85 1vpf h PRO 40 CO 0.76 0.00 -0.12 -0.44 -0.23 0.00 0.00 178.00 177.97 1vpf h ASP 41 N 0.00 0.29 -0.42 1.44 3.32 -1.92 -3.32 116.42 115.81 1vpf h ASP 41 Ca 0.00 -0.50 -0.46 0.00 0.02 0.00 0.00 57.03 56.10 1vpf h ASP 41 Cb 0.24 -0.08 -0.08 0.00 0.22 0.00 0.00 39.33 39.63 1vpf h ASP 41 CO 0.00 0.72 1.21 -0.62 -1.72 0.00 0.00 179.24 178.83 1vpf n GLU 42 N -4.62 2.88 0.09 3.56 4.71 -1.17 -4.61 120.64 121.47 1vpf n GLU 42 Ca -0.07 -1.96 0.13 0.00 -0.01 0.00 0.00 57.16 55.25 1vpf n GLU 42 Cb 0.34 -2.31 0.45 0.00 -1.01 0.00 0.00 31.44 28.91 1vpf n GLU 42 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 1vpf n ILE 43 N 2.26 0.54 1.49 -3.67 5.41 -1.25 -3.52 119.36 120.63 1vpf n ILE 43 Ca 0.56 -0.17 0.15 0.00 1.00 0.00 0.00 62.75 64.29 1vpf n ILE 43 Cb 0.57 -0.65 0.74 0.00 -0.71 0.00 0.00 39.64 39.59 1vpf n ILE 43 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1vpf n GLU 44 N -2.13 0.56 -3.10 0.38 4.71 -1.26 -4.87 120.64 114.93 1vpf n GLU 44 Ca 0.05 -0.06 -0.20 0.00 -0.01 0.00 0.00 57.16 56.95 1vpf n GLU 44 Cb 0.39 -1.50 0.05 0.00 -1.01 0.00 0.00 31.44 29.36 1vpf n GLU 44 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 1vpf s TYR 45 N -2.48 1.72 -0.25 -0.32 1.51 -1.23 -4.38 117.35 111.93 1vpf s TYR 45 Ca 0.31 -0.66 -0.01 0.00 -1.01 0.00 0.00 57.07 55.69 1vpf s TYR 45 Cb 0.20 -2.22 0.07 0.00 -0.11 0.00 0.00 41.96 39.91 1vpf s TYR 45 CO 0.45 -0.95 0.04 0.42 -1.11 0.00 0.00 175.55 174.40 1vpf s ILE 46 N -2.61 0.91 0.34 2.71 1.09 -0.95 -4.98 121.20 117.72 1vpf s ILE 46 Ca 0.58 -1.03 -0.10 0.00 -1.10 0.00 0.00 60.65 59.00 1vpf s ILE 46 Cb -0.06 -1.45 -0.07 0.00 -1.06 0.00 0.00 42.46 39.81 1vpf s ILE 46 CO 0.36 -0.35 0.70 -0.36 -0.10 0.00 0.00 174.94 175.20 1vpf s PHE 47 N 1.65 3.44 -0.21 3.97 0.08 -1.26 -2.56 117.98 123.09 1vpf s PHE 47 Ca 0.02 1.00 -0.04 0.00 0.12 0.00 0.00 56.93 58.02 1vpf s PHE 47 Cb -0.18 -2.39 0.11 0.00 -0.57 0.00 0.00 43.02 40.00 1vpf s PHE 47 CO -0.13 0.03 0.34 0.21 -0.10 0.00 0.00 175.22 175.57 1vpf s LYS 48 N -3.47 0.28 0.65 0.44 2.20 -0.13 -2.99 119.74 116.73 1vpf s LYS 48 Ca 0.50 0.60 -0.15 0.00 -0.36 0.00 0.00 55.97 56.56 1vpf s LYS 48 Cb -0.10 -0.39 -0.00 0.00 -1.51 0.00 0.00 37.83 35.82 1vpf s LYS 48 CO 0.27 -0.51 1.11 -1.25 -0.36 0.00 0.00 175.35 174.60 1vpf s PRO 49 N 2.50 2.82 0.30 4.03 0.04 -1.26 -1.30 135.00 142.13 1vpf s PRO 49 Ca 0.07 1.41 0.26 0.00 0.04 0.00 0.00 61.00 62.78 1vpf s PRO 49 Cb -0.14 -1.95 0.96 0.00 0.04 0.00 0.00 34.50 33.40 1vpf s PRO 49 CO -0.13 -1.23 1.76 0.66 0.04 0.00 0.00 177.00 178.09 1vpf h SER 50 N 0.10 0.00 -4.56 6.66 4.64 -1.93 -3.45 113.55 115.01 1vpf h SER 50 Ca -0.47 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 60.58 1vpf h SER 50 Cb 1.25 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.17 1vpf h SER 50 CO 0.54 0.00 -0.72 0.00 -0.87 0.00 0.00 176.83 175.78 1vpf s VAL 52 N -2.72 1.17 -0.35 0.00 -7.23 0.47 -4.91 120.40 106.84 1vpf s VAL 52 Ca 0.05 -1.29 -0.25 0.00 -1.81 0.00 0.00 61.98 58.69 1vpf s VAL 52 Cb -0.01 -1.11 0.01 0.00 0.56 0.00 0.00 36.38 35.83 1vpf s VAL 52 CO -0.02 -0.18 0.86 -2.16 -0.31 0.00 0.00 175.10 173.29 1vpf s PRO 53 N -1.67 3.87 0.13 4.82 0.04 -1.26 -0.95 135.00 139.98 1vpf s PRO 53 Ca -0.01 0.54 0.08 0.00 0.04 0.00 0.00 61.00 61.66 1vpf s PRO 53 Cb -0.10 -3.78 -0.04 0.00 0.04 0.00 0.00 34.50 30.63 1vpf s PRO 53 CO 0.02 -0.84 -0.19 -0.51 0.04 0.00 0.00 177.00 175.52 1vpf s LEU 54 N 3.24 2.37 -0.25 -3.56 1.43 -0.15 -4.93 118.68 116.83 1vpf s LEU 54 Ca 0.35 -0.77 -0.21 0.00 -1.03 0.00 0.00 54.13 52.47 1vpf s LEU 54 Cb -0.13 -0.82 -0.02 0.00 0.03 0.00 0.00 46.19 45.25 1vpf s LEU 54 CO 0.16 -0.00 0.68 -0.04 0.23 0.00 0.00 176.35 177.38 1vpf s MET 55 N -2.35 4.14 0.04 1.70 -1.94 -1.26 0.08 119.30 119.70 1vpf s MET 55 Ca 0.10 0.65 0.00 0.00 -1.71 0.00 0.00 55.69 54.74 1vpf s MET 55 Cb -0.08 -3.64 -0.03 0.00 2.01 0.00 0.00 34.83 33.09 1vpf s MET 55 CO 0.05 -0.43 -0.04 1.03 -0.01 0.00 0.00 175.02 175.62 1vpf s ARG 56 N 2.55 0.50 0.16 2.03 1.81 -0.78 -1.00 118.95 124.21 1vpf s ARG 56 Ca 0.29 -0.89 -0.31 0.00 -1.72 0.00 0.00 55.73 53.10 1vpf s ARG 56 Cb -0.15 0.02 -0.09 0.00 -0.45 0.00 0.00 34.95 34.28 1vpf s ARG 56 CO 0.08 -0.04 1.45 0.00 -0.68 0.00 0.00 175.30 176.11 1vpf s GLY 58 N 0.94 0.91 0.00 0.00 0.00 -0.67 -4.89 107.32 103.61 1vpf s GLY 58 Ca 0.65 -1.13 0.00 0.00 0.00 0.00 0.00 44.72 44.23 1vpf s GLY 58 CO 0.33 -0.76 0.00 0.61 0.00 0.00 0.00 173.10 173.28 1vpf n GLY 59 N -0.46 -1.75 3.24 0.20 0.00 -1.26 -1.93 105.19 103.23 1vpf n GLY 59 Ca -0.01 -2.02 -0.19 0.00 0.00 0.00 0.00 46.02 43.80 1vpf n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vpf n ASN 62 N 1.77 5.46 0.00 0.00 3.02 -1.26 -4.82 115.26 119.44 1vpf n ASN 62 Ca -0.17 -3.03 0.00 0.00 -0.03 0.00 0.00 54.58 51.35 1vpf n ASN 62 Cb 0.54 -1.43 0.00 0.00 -0.61 0.00 0.00 39.78 38.28 1vpf n ASN 62 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1vpf n ASP 63 N 3.43 0.00 -0.50 6.41 -0.08 -1.26 -5.02 116.55 119.53 1vpf n ASP 63 Ca 0.27 0.00 0.14 0.00 -1.51 0.00 0.00 54.79 53.69 1vpf n ASP 63 Cb 0.40 0.00 0.51 0.00 2.34 0.00 0.00 41.12 44.36 1vpf n ASP 63 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1vpf n GLU 64 N -0.11 1.69 -0.03 -0.67 4.71 -1.26 -3.46 120.64 121.51 1vpf n GLU 64 Ca 0.00 -1.00 -0.09 0.00 -0.01 0.00 0.00 57.16 56.06 1vpf n GLU 64 Cb 0.00 -1.47 -0.14 0.00 -1.01 0.00 0.00 31.44 28.81 1vpf n GLU 64 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1vpf n GLY 65 N 1.18 -0.97 3.89 0.62 0.00 -1.26 -4.92 105.19 103.72 1vpf n GLY 65 Ca 0.19 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 1vpf n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vpf s LEU 66 N -6.05 4.29 0.02 0.99 1.43 -1.22 -1.45 118.68 116.68 1vpf s LEU 66 Ca -0.06 0.66 0.01 0.00 -1.03 0.00 0.00 54.13 53.71 1vpf s LEU 66 Cb 0.08 -3.22 -0.01 0.00 0.03 0.00 0.00 46.19 43.07 1vpf s LEU 66 CO 0.82 0.08 -0.05 -1.83 0.23 0.00 0.00 176.35 175.60 1vpf s GLU 67 N -2.43 0.39 -0.40 1.70 -1.05 0.64 -4.74 118.70 112.81 1vpf s GLU 67 Ca 0.39 -0.43 -0.28 0.00 -0.15 0.00 0.00 54.97 54.50 1vpf s GLU 67 Cb -0.13 -0.24 0.02 0.00 -0.44 0.00 0.00 34.13 33.34 1vpf s GLU 67 CO 0.22 0.05 1.08 0.00 0.95 0.00 0.00 175.26 177.56 1vpf s VAL 69 N 3.96 0.83 0.27 0.00 0.11 -0.40 -4.86 120.40 120.32 1vpf s VAL 69 Ca 0.45 -1.50 -0.29 0.00 -2.93 0.00 0.00 61.98 57.71 1vpf s VAL 69 Cb -0.10 -1.18 -0.09 0.00 -1.53 0.00 0.00 36.38 33.48 1vpf s VAL 69 CO 0.23 -0.51 1.15 -2.16 -3.33 0.00 0.00 175.10 170.48 1vpf s PRO 70 N -2.49 4.56 0.00 1.54 0.04 -1.26 -0.63 135.00 136.76 1vpf s PRO 70 Ca 0.01 1.89 0.01 0.00 0.04 0.00 0.00 61.00 62.95 1vpf s PRO 70 Cb -0.05 -3.18 0.01 0.00 0.04 0.00 0.00 34.50 31.33 1vpf s PRO 70 CO -0.00 0.09 0.61 0.25 0.04 0.00 0.00 177.00 177.99 1vpf n THR 71 N 1.39 0.16 -3.64 1.26 -2.24 0.64 -4.89 114.28 106.95 1vpf n THR 71 Ca 0.00 -0.58 -0.08 0.00 -2.27 0.00 0.00 64.05 61.12 1vpf n THR 71 Cb 0.44 0.94 -0.07 0.00 -2.10 0.00 0.00 70.33 69.54 1vpf n THR 71 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1vpf s GLU 72 N -0.23 0.72 0.27 -0.78 2.12 -1.20 -4.94 118.70 114.67 1vpf s GLU 72 Ca 0.01 1.19 0.02 0.00 0.36 0.00 0.00 54.97 56.55 1vpf s GLU 72 Cb 0.01 0.17 -0.05 0.00 0.26 0.00 0.00 34.13 34.52 1vpf s GLU 72 CO 0.01 -0.14 0.09 -1.21 -0.54 0.00 0.00 175.26 173.47 1vpf s GLU 73 N 1.48 1.47 0.33 4.30 2.02 -1.26 -0.44 118.70 126.60 1vpf s GLU 73 Ca -0.09 -1.80 -0.12 0.00 0.02 0.00 0.00 54.97 52.98 1vpf s GLU 73 Cb -0.05 -0.39 0.02 0.00 0.10 0.00 0.00 34.13 33.81 1vpf s GLU 73 CO -0.17 -0.27 0.63 -1.54 0.02 0.00 0.00 175.26 173.92 1vpf s SER 74 N -3.35 0.20 0.05 -0.19 1.04 -0.67 -4.84 113.70 105.94 1vpf s SER 74 Ca 0.38 -1.12 0.09 0.00 0.48 0.00 0.00 55.95 55.77 1vpf s SER 74 Cb 0.08 0.73 -0.03 0.00 0.10 0.00 0.00 66.02 66.90 1vpf s SER 74 CO 0.14 -1.42 -0.23 0.20 0.98 0.00 0.00 173.24 172.91 1vpf s ASN 75 N -3.08 3.45 -0.08 7.02 -0.87 -1.26 -0.50 114.94 119.61 1vpf s ASN 75 Ca 0.20 -0.54 0.04 0.00 -1.57 0.00 0.00 52.86 51.00 1vpf s ASN 75 Cb -0.03 -0.42 0.00 0.00 -0.02 0.00 0.00 41.25 40.78 1vpf s ASN 75 CO 0.13 0.25 -0.20 -0.51 -2.57 0.00 0.00 177.10 174.20 1vpf s ILE 76 N -0.88 1.69 -0.14 0.60 1.10 -0.14 -4.92 121.20 118.53 1vpf s ILE 76 Ca 0.13 -0.82 -0.03 0.00 -0.51 0.00 0.00 60.65 59.42 1vpf s ILE 76 Cb -0.10 -1.48 -0.03 0.00 0.15 0.00 0.00 42.46 41.00 1vpf s ILE 76 CO 0.04 0.48 -0.05 -0.89 -2.11 0.00 0.00 174.94 172.41 1vpf s THR 77 N 0.34 3.84 0.05 4.00 2.01 -1.26 -0.31 115.64 124.31 1vpf s THR 77 Ca -0.14 -0.39 0.03 0.00 0.31 0.00 0.00 61.69 61.51 1vpf s THR 77 Cb -0.16 -2.66 -0.03 0.00 0.01 0.00 0.00 72.50 69.66 1vpf s THR 77 CO 0.06 0.51 -0.10 -0.04 -0.69 0.00 0.00 174.62 174.36 1vpf s MET 78 N 0.14 0.64 -0.35 4.92 -1.94 -0.24 -4.95 119.30 117.53 1vpf s MET 78 Ca -0.02 -0.82 -0.27 0.00 -1.71 0.00 0.00 55.69 52.87 1vpf s MET 78 Cb -0.14 -0.50 0.02 0.00 2.01 0.00 0.00 34.83 36.22 1vpf s MET 78 CO 0.03 0.10 0.99 -0.65 -0.01 0.00 0.00 175.02 175.49 1vpf s GLN 79 N -1.60 3.95 -0.01 2.03 -0.21 -1.26 -1.59 119.66 120.96 1vpf s GLN 79 Ca -0.07 0.80 0.08 0.00 0.02 0.00 0.00 55.36 56.19 1vpf s GLN 79 Cb -0.10 -3.77 -0.02 0.00 1.00 0.00 0.00 33.01 30.12 1vpf s GLN 79 CO 0.01 -0.93 -0.25 0.42 -2.12 0.00 0.00 175.29 172.42 1vpf s ILE 80 N 3.57 1.99 0.04 1.08 -1.09 0.08 -4.91 121.20 121.96 1vpf s ILE 80 Ca 0.41 -1.10 -0.08 0.00 -2.23 0.00 0.00 60.65 57.66 1vpf s ILE 80 Cb -0.12 -1.65 -0.05 0.00 -1.58 0.00 0.00 42.46 39.06 1vpf s ILE 80 CO 0.17 0.54 0.33 -0.04 -1.23 0.00 0.00 174.94 174.71 1vpf s MET 81 N -0.64 3.66 -0.02 2.79 -1.94 -0.42 -1.23 119.30 121.50 1vpf s MET 81 Ca 0.10 0.03 -0.09 0.00 -1.71 0.00 0.00 55.69 54.01 1vpf s MET 81 Cb -0.10 -3.04 0.01 0.00 2.01 0.00 0.00 34.83 33.71 1vpf s MET 81 CO -0.01 0.61 0.20 -0.98 -0.01 0.00 0.00 175.02 174.83 1vpf s ARG 82 N -1.85 0.49 -0.03 2.03 1.70 -0.28 -0.95 118.95 120.06 1vpf s ARG 82 Ca 0.30 -0.20 0.01 0.00 -0.47 0.00 0.00 55.73 55.37 1vpf s ARG 82 Cb -0.13 0.21 0.02 0.00 -0.57 0.00 0.00 34.95 34.48 1vpf s ARG 82 CO 0.17 -0.12 -0.01 0.42 -1.08 0.00 0.00 175.30 174.69 1vpf s ILE 83 N -1.06 0.24 0.71 4.99 1.01 -1.06 -1.20 121.20 124.83 1vpf s ILE 83 Ca -0.11 0.03 -0.08 0.00 0.00 0.00 0.00 60.65 60.49 1vpf s ILE 83 Cb -0.06 -0.31 0.06 0.00 0.01 0.00 0.00 42.46 42.16 1vpf s ILE 83 CO 0.02 0.15 1.04 -0.54 0.00 0.00 0.00 174.94 175.60 1vpf s LYS 84 N 0.88 2.28 -0.62 2.79 1.02 -1.26 -2.24 119.74 122.60 1vpf s LYS 84 Ca -0.09 -0.11 -0.26 0.00 0.02 0.00 0.00 55.97 55.53 1vpf s LYS 84 Cb -0.13 -2.13 -0.09 0.00 -0.52 0.00 0.00 37.83 34.96 1vpf s LYS 84 CO -0.01 -1.23 2.36 -1.25 -0.92 0.00 0.00 175.35 174.31 1vpf s PRO 85 N -5.28 1.96 0.57 -1.68 0.04 -1.26 -3.95 135.00 125.39 1vpf s PRO 85 Ca 0.60 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.61 1vpf s PRO 85 Cb -0.11 -4.66 0.00 0.00 0.04 0.00 0.00 34.50 29.77 1vpf s PRO 85 CO 0.46 -3.69 0.00 0.72 0.04 0.00 0.00 177.00 174.53 1vpf n HIS 86 N 16.71 0.00 0.00 0.56 8.25 -1.26 -4.98 115.22 134.49 1vpf n HIS 86 Ca 0.40 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.86 1vpf n HIS 86 Cb 0.50 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.61 1vpf n HIS 86 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1vpf n GLN 87 N 0.00 0.00 0.00 -0.41 7.27 -1.25 -4.73 117.38 118.26 1vpf n GLN 87 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1vpf n GLN 87 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 1vpf n GLN 87 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1vpf n GLY 88 N 0.00 2.05 3.59 1.69 0.00 -1.26 -5.01 105.19 106.26 1vpf n GLY 88 Ca 0.00 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 1vpf n GLY 88 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1vpf s GLN 89 N -2.00 3.23 0.20 1.61 -1.52 -1.26 -4.36 119.66 115.56 1vpf s GLN 89 Ca 0.00 1.46 0.08 0.00 -1.95 0.00 0.00 55.36 54.95 1vpf s GLN 89 Cb 0.00 -4.24 -0.04 0.00 -0.22 0.00 0.00 33.01 28.51 1vpf s GLN 89 CO 0.00 -1.98 0.00 -1.01 -0.25 0.00 0.00 175.29 172.05 1vpf s HIS 90 N 7.35 2.81 -0.08 0.91 3.76 -0.34 -4.98 115.29 124.72 1vpf s HIS 90 Ca 0.82 -0.16 0.01 0.00 -0.15 0.00 0.00 55.06 55.58 1vpf s HIS 90 Cb -0.23 -1.33 0.02 0.00 1.11 0.00 0.00 32.58 32.15 1vpf s HIS 90 CO 0.33 0.54 -0.10 -1.50 -0.85 0.00 0.00 174.74 173.16 1vpf s ILE 91 N -1.90 1.05 0.11 0.60 2.07 -1.26 -1.13 121.20 120.73 1vpf s ILE 91 Ca 0.29 -0.37 0.02 0.00 -1.41 0.00 0.00 60.65 59.17 1vpf s ILE 91 Cb -0.08 -1.01 -0.01 0.00 0.13 0.00 0.00 42.46 41.49 1vpf s ILE 91 CO 0.19 0.35 0.11 0.61 -1.91 0.00 0.00 174.94 174.29 1vpf n GLY 92 N 4.32 3.46 3.56 1.50 0.00 -0.36 -4.98 105.19 112.70 1vpf n GLY 92 Ca -0.19 -1.67 -0.34 0.00 0.00 0.00 0.00 46.02 43.83 1vpf n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vpf s GLU 93 N -2.39 3.15 -0.02 1.61 2.02 -1.26 -0.74 118.70 121.07 1vpf s GLU 93 Ca 0.12 -0.51 0.04 0.00 0.02 0.00 0.00 54.97 54.64 1vpf s GLU 93 Cb 0.00 -2.75 -0.01 0.00 0.10 0.00 0.00 34.13 31.48 1vpf s GLU 93 CO 0.08 0.51 -0.15 -1.64 0.02 0.00 0.00 175.26 174.08 1vpf s MET 94 N -0.37 1.28 -0.09 1.61 -1.94 -0.62 -4.95 119.30 114.22 1vpf s MET 94 Ca 0.06 -0.53 -0.02 0.00 -1.71 0.00 0.00 55.69 53.49 1vpf s MET 94 Cb -0.12 -1.21 -0.03 0.00 2.01 0.00 0.00 34.83 35.47 1vpf s MET 94 CO 0.02 0.30 0.00 -1.12 -0.01 0.00 0.00 175.02 174.21 1vpf s SER 95 N -0.25 5.24 0.05 3.03 0.01 -1.26 -1.07 113.70 119.44 1vpf s SER 95 Ca 0.04 0.14 0.07 0.00 1.31 0.00 0.00 55.95 57.51 1vpf s SER 95 Cb -0.07 -1.48 -0.03 0.00 0.21 0.00 0.00 66.02 64.65 1vpf s SER 95 CO -0.00 0.37 -0.19 -0.36 0.41 0.00 0.00 173.24 173.47 1vpf s PHE 96 N -0.85 1.63 -0.12 2.43 0.08 0.58 -4.94 117.98 116.78 1vpf s PHE 96 Ca 0.13 -0.38 -0.30 0.00 0.12 0.00 0.00 56.93 56.50 1vpf s PHE 96 Cb -0.11 -0.95 -0.01 0.00 -0.57 0.00 0.00 43.02 41.37 1vpf s PHE 96 CO 0.02 0.10 1.07 -1.17 -0.10 0.00 0.00 175.22 175.14 1vpf s LEU 97 N -1.33 4.22 0.20 -0.37 2.96 -1.26 -0.96 118.68 122.13 1vpf s LEU 97 Ca 0.05 1.58 0.09 0.00 -0.22 0.00 0.00 54.13 55.63 1vpf s LEU 97 Cb -0.09 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.01 1vpf s LEU 97 CO 0.02 -0.54 -0.06 -1.10 -1.32 0.00 0.00 176.35 173.36 1vpf s GLN 98 N 2.36 2.19 -0.24 1.98 -0.21 0.35 -4.82 119.66 121.25 1vpf s GLN 98 Ca 0.50 -1.27 -0.05 0.00 0.02 0.00 0.00 55.36 54.57 1vpf s GLN 98 Cb -0.19 -2.20 -0.00 0.00 1.00 0.00 0.00 33.01 31.61 1vpf s GLN 98 CO 0.17 0.42 -0.00 -1.01 -2.12 0.00 0.00 175.29 172.75 1vpf s HIS 99 N -1.84 3.03 -0.17 0.91 3.76 -0.17 -1.66 115.29 119.14 1vpf s HIS 99 Ca 0.27 -0.97 0.22 0.00 -0.15 0.00 0.00 55.06 54.43 1vpf s HIS 99 Cb -0.08 -2.15 -0.16 0.00 1.11 0.00 0.00 32.58 31.30 1vpf s HIS 99 CO 0.17 -0.56 0.78 0.09 -0.85 0.00 0.00 174.74 174.37 1vpf n ASN 100 N 4.81 0.44 -3.72 1.40 4.13 0.42 -4.51 115.26 118.23 1vpf n ASN 100 Ca -0.17 0.13 -0.12 0.00 1.68 0.00 0.00 54.58 56.10 1vpf n ASN 100 Cb 0.50 1.19 -0.11 0.00 -1.54 0.00 0.00 39.78 39.82 1vpf n ASN 100 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1vpf s LYS 101 N -3.42 0.39 0.27 3.52 2.20 -1.16 -4.87 119.74 116.67 1vpf s LYS 101 Ca -0.04 0.65 0.11 0.00 -0.36 0.00 0.00 55.97 56.33 1vpf s LYS 101 Cb 0.12 0.06 -0.05 0.00 -1.51 0.00 0.00 37.83 36.45 1vpf s LYS 101 CO 0.85 -0.11 -0.18 0.00 -0.36 0.00 0.00 175.35 175.54 1vpf s GLU 103 N -3.55 0.64 -0.33 0.00 2.12 0.20 -4.85 118.70 112.93 1vpf s GLU 103 Ca 0.29 0.44 -0.25 0.00 0.36 0.00 0.00 54.97 55.81 1vpf s GLU 103 Cb -0.04 0.30 0.01 0.00 0.26 0.00 0.00 34.13 34.67 1vpf s GLU 103 CO 0.14 -0.12 0.87 0.00 -0.54 0.00 0.00 175.26 175.61 1vpf s ARG 105 N 3.23 1.66 0.55 0.00 1.81 -0.70 -4.87 118.95 120.63 1vpf s ARG 105 Ca 0.36 -1.94 -0.17 0.00 -1.72 0.00 0.00 55.73 52.26 1vpf s ARG 105 Cb -0.13 -0.59 -0.06 0.00 -0.45 0.00 0.00 34.95 33.72 1vpf s ARG 105 CO 0.15 -0.31 1.04 -1.25 -0.68 0.00 0.00 175.30 174.26 1vpf s PRO 106 N -3.88 3.53 0.00 3.54 0.04 -1.26 -0.26 135.00 136.71 1vpf s PRO 106 Ca 0.34 1.23 0.28 0.00 0.04 0.00 0.00 61.00 62.88 1vpf s PRO 106 Cb 0.07 -2.06 1.68 0.00 0.04 0.00 0.00 34.50 34.22 1vpf s PRO 106 CO 0.15 -0.64 2.02 1.63 0.04 0.00 0.00 177.00 180.20