#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vpf s VAL 14 N 0.00 2.75 -0.11 3.84 1.01 -1.26 -4.98 120.40 121.65 2vpf s VAL 14 Ca 0.00 0.67 -0.30 0.00 0.00 0.00 0.00 61.98 62.36 2vpf s VAL 14 Cb 0.00 -3.43 -0.01 0.00 0.00 0.00 0.00 36.38 32.94 2vpf s VAL 14 CO 0.00 0.13 1.01 -0.69 0.00 0.00 0.00 175.10 175.55 2vpf s VAL 15 N -0.46 4.76 0.40 2.92 1.01 -1.26 -5.00 120.40 122.77 2vpf s VAL 15 Ca 0.55 2.03 -0.25 0.00 0.00 0.00 0.00 61.98 64.31 2vpf s VAL 15 Cb -0.40 -4.31 -0.08 0.00 0.00 0.00 0.00 36.38 31.59 2vpf s VAL 15 CO 0.47 0.00 1.16 -0.54 0.00 0.00 0.00 175.10 176.19 2vpf s LYS 16 N 2.03 4.06 0.18 2.72 -0.14 -1.26 -4.82 119.74 122.52 2vpf s LYS 16 Ca 0.49 1.82 -0.22 0.00 -1.36 0.00 0.00 55.97 56.70 2vpf s LYS 16 Cb -0.18 -2.67 0.10 0.00 -1.68 0.00 0.00 37.83 33.39 2vpf s LYS 16 CO 0.18 -0.31 1.58 0.35 -0.76 0.00 0.00 175.35 176.39 2vpf h PHE 17 N 2.64 -1.06 -0.12 3.18 3.57 -1.99 -1.11 116.94 122.04 2vpf h PHE 17 Ca -0.49 0.08 -0.08 0.00 3.53 0.00 0.00 57.97 61.01 2vpf h PHE 17 Cb 1.23 0.55 -0.01 0.00 2.79 0.00 0.00 35.95 40.52 2vpf h PHE 17 CO 0.55 -0.40 -0.28 0.52 -2.23 0.00 0.00 178.31 176.47 2vpf h MET 18 N -0.17 0.23 -0.33 1.11 2.86 -1.99 -1.26 114.93 115.37 2vpf h MET 18 Ca 0.22 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.76 2vpf h MET 18 Cb 0.56 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 2vpf h MET 18 CO -0.70 0.50 0.12 0.22 1.06 0.00 0.00 176.91 178.10 2vpf h ASP 19 N 0.20 0.47 -0.46 1.22 3.58 -1.64 -1.10 116.42 118.69 2vpf h ASP 19 Ca 0.03 -0.19 -0.05 0.00 0.42 0.00 0.00 57.03 57.24 2vpf h ASP 19 Cb 0.61 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.52 2vpf h ASP 19 CO 0.04 0.53 0.10 0.58 -2.88 0.00 0.00 179.24 177.62 2vpf h VAL 20 N 0.38 1.24 -0.31 2.25 2.07 -0.98 -1.58 116.25 119.32 2vpf h VAL 20 Ca 0.11 -0.85 0.02 0.00 0.82 0.00 0.00 66.70 66.80 2vpf h VAL 20 Cb 0.22 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 2vpf h VAL 20 CO -0.01 0.30 0.15 0.22 0.02 0.00 0.00 177.57 178.25 2vpf h TYR 21 N 0.63 0.27 -0.43 1.57 3.20 -1.16 -2.06 116.97 118.99 2vpf h TYR 21 Ca 0.14 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.96 2vpf h TYR 21 Cb 0.34 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 2vpf h TYR 21 CO 0.02 0.14 -0.03 1.96 -1.64 0.00 0.00 178.16 178.62 2vpf h GLN 22 N 0.31 0.71 0.00 1.82 4.20 -1.15 -2.55 115.11 118.45 2vpf h GLN 22 Ca 0.13 -0.19 -0.13 0.00 0.06 0.00 0.00 58.65 58.52 2vpf h GLN 22 Cb 0.06 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 2vpf h GLN 22 CO -0.10 0.75 -0.60 0.00 -0.67 0.00 0.00 178.83 178.21 2vpf h ARG 23 N 0.67 0.00 0.00 1.46 3.08 -1.01 -3.30 114.38 115.28 2vpf h ARG 23 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 2vpf h ARG 23 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 2vpf h ARG 23 CO 0.02 0.60 -1.14 -1.13 -1.07 0.00 0.00 179.97 177.25 2vpf n SER 24 N -3.78 0.72 -4.72 7.04 3.41 -0.80 -4.96 113.62 110.53 2vpf n SER 24 Ca -0.01 0.26 -0.42 0.00 -0.26 0.00 0.00 58.87 58.44 2vpf n SER 24 Cb 0.61 0.67 -0.03 0.00 -0.26 0.00 0.00 64.21 65.20 2vpf n SER 24 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 2vpf s TYR 25 N -3.38 2.94 0.00 7.33 5.04 -0.97 -1.28 117.35 127.03 2vpf s TYR 25 Ca -0.01 0.48 0.00 0.00 -2.44 0.00 0.00 57.07 55.10 2vpf s TYR 25 Cb 0.10 -4.07 0.00 0.00 0.35 0.00 0.00 41.96 38.35 2vpf s TYR 25 CO 0.81 -3.96 0.00 0.00 -1.34 0.00 0.00 175.55 171.05 2vpf s HIS 27 N 0.00 -0.32 0.08 0.00 -3.43 -0.84 -4.87 115.29 105.91 2vpf s HIS 27 Ca 0.00 0.07 -0.31 0.00 -0.80 0.00 0.00 55.06 54.03 2vpf s HIS 27 Cb 0.00 0.60 -0.08 0.00 -1.43 0.00 0.00 32.58 31.67 2vpf s HIS 27 CO 0.00 -0.81 1.50 -2.14 -2.00 0.00 0.00 174.74 171.29 2vpf s PRO 28 N -3.46 4.26 0.01 -0.38 0.02 -1.26 -1.97 135.00 132.21 2vpf s PRO 28 Ca 0.07 2.17 0.02 0.00 0.02 0.00 0.00 61.00 63.28 2vpf s PRO 28 Cb -0.02 -3.43 -0.01 0.00 0.02 0.00 0.00 34.50 31.06 2vpf s PRO 28 CO -0.05 -0.59 -0.07 -1.50 -0.33 0.00 0.00 177.00 174.46 2vpf s ILE 29 N 1.92 0.56 0.09 2.83 2.07 -0.32 -4.87 121.20 123.48 2vpf s ILE 29 Ca 0.68 -0.58 -0.32 0.00 -1.41 0.00 0.00 60.65 59.02 2vpf s ILE 29 Cb -0.37 -0.53 -0.11 0.00 0.13 0.00 0.00 42.46 41.58 2vpf s ILE 29 CO 0.30 -0.03 1.85 1.21 -1.91 0.00 0.00 174.94 176.36 2vpf n GLU 30 N 2.38 2.70 -4.51 3.50 2.13 -1.26 -1.67 120.64 123.92 2vpf n GLU 30 Ca -0.16 0.98 -0.23 0.00 0.66 0.00 0.00 57.16 58.41 2vpf n GLU 30 Cb 0.57 -2.87 -0.16 0.00 0.27 0.00 0.00 31.44 29.24 2vpf n GLU 30 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2vpf s THR 31 N 3.03 1.00 -0.31 6.31 2.01 0.79 -4.94 115.64 123.54 2vpf s THR 31 Ca 0.84 -0.42 -0.19 0.00 0.31 0.00 0.00 61.69 62.23 2vpf s THR 31 Cb -0.51 -0.92 -0.01 0.00 0.01 0.00 0.00 72.50 71.07 2vpf s THR 31 CO 0.40 0.32 0.55 -0.76 -0.69 0.00 0.00 174.62 174.43 2vpf s LEU 32 N 0.56 4.18 -0.10 4.42 2.01 -1.26 -0.50 118.68 128.00 2vpf s LEU 32 Ca -0.11 0.29 0.03 0.00 0.01 0.00 0.00 54.13 54.34 2vpf s LEU 32 Cb -0.14 -2.68 -0.01 0.00 0.01 0.00 0.00 46.19 43.37 2vpf s LEU 32 CO 0.02 -0.42 -0.18 -0.69 1.01 0.00 0.00 176.35 176.09 2vpf s VAL 33 N 2.44 2.61 0.18 -1.59 1.01 0.17 -4.90 120.40 120.31 2vpf s VAL 33 Ca 0.21 -0.84 -0.30 0.00 0.00 0.00 0.00 61.98 61.05 2vpf s VAL 33 Cb -0.15 -2.03 -0.08 0.00 0.00 0.00 0.00 36.38 34.11 2vpf s VAL 33 CO 0.12 0.55 1.29 -0.62 0.00 0.00 0.00 175.10 176.43 2vpf s ASP 34 N 0.08 6.94 0.03 3.32 2.15 -1.26 -1.34 116.67 126.59 2vpf s ASP 34 Ca -0.08 2.33 -0.20 0.00 0.43 0.00 0.00 52.55 55.04 2vpf s ASP 34 Cb -0.15 -2.60 -0.16 0.00 -0.30 0.00 0.00 42.92 39.71 2vpf s ASP 34 CO 0.05 -0.50 1.28 0.40 -0.17 0.00 0.00 175.17 176.23 2vpf h ILE 35 N 3.85 1.37 -0.67 4.11 2.04 -1.55 -3.07 117.51 123.59 2vpf h ILE 35 Ca -0.44 -1.53 0.02 0.00 1.00 0.00 0.00 64.86 63.91 2vpf h ILE 35 Cb 1.21 2.04 -0.04 0.00 -0.74 0.00 0.00 36.82 39.30 2vpf h ILE 35 CO 0.78 0.45 0.45 0.15 0.00 0.00 0.00 178.15 179.97 2vpf h PHE 36 N 0.00 0.81 -0.93 1.37 3.57 -1.85 0.62 116.94 120.53 2vpf h PHE 36 Ca 0.00 0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.64 2vpf h PHE 36 Cb 0.85 -0.27 -0.08 0.00 2.79 0.00 0.00 35.95 39.23 2vpf h PHE 36 CO 0.10 0.49 0.56 -0.56 -2.23 0.00 0.00 178.31 176.68 2vpf h GLN 37 N 0.86 0.86 0.00 1.11 3.07 -1.94 -1.50 115.11 117.57 2vpf h GLN 37 Ca 0.26 -0.05 0.00 0.00 0.09 0.00 0.00 58.65 58.95 2vpf h GLN 37 Cb -0.02 -0.19 0.00 0.00 0.08 0.00 0.00 27.48 27.35 2vpf h GLN 37 CO -0.07 0.57 -0.12 0.93 0.09 0.00 0.00 178.83 180.23 2vpf h GLU 38 N 0.89 0.00 -2.11 0.06 4.39 -0.86 -3.38 114.58 113.57 2vpf h GLU 38 Ca 0.47 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.64 2vpf h GLU 38 Cb 0.48 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 28.73 2vpf h GLU 38 CO -0.28 0.00 -0.98 0.66 -1.16 0.00 0.00 179.01 177.26 2vpf n TYR 39 N -2.94 1.61 0.20 4.33 4.02 -0.21 -4.98 117.16 119.19 2vpf n TYR 39 Ca 0.04 -3.88 0.09 0.00 -0.01 0.00 0.00 57.90 54.14 2vpf n TYR 39 Cb 0.52 -0.44 0.45 0.00 -0.02 0.00 0.00 39.34 39.85 2vpf n TYR 39 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 2vpf n PRO 40 N 0.22 0.12 0.00 -0.72 -0.04 -0.63 -1.53 135.00 132.41 2vpf n PRO 40 Ca 0.27 0.55 0.13 0.00 -0.04 0.00 0.00 63.50 64.41 2vpf n PRO 40 Cb 0.55 -1.84 0.41 0.00 -0.04 0.00 0.00 33.50 32.58 2vpf n PRO 40 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2vpf n ASP 41 N -2.08 1.80 -2.76 3.54 8.00 -1.26 -4.01 116.55 119.78 2vpf n ASP 41 Ca -0.00 -1.57 -0.35 0.00 0.71 0.00 0.00 54.79 53.58 2vpf n ASP 41 Cb 0.08 0.02 -0.00 0.00 -0.02 0.00 0.00 41.12 41.20 2vpf n ASP 41 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2vpf n GLU 42 N 0.37 2.67 0.26 -1.24 1.02 -0.59 -4.70 120.64 118.44 2vpf n GLU 42 Ca 0.17 -3.06 0.10 0.00 -0.02 0.00 0.00 57.16 54.36 2vpf n GLU 42 Cb 0.41 -2.23 0.70 0.00 -0.02 0.00 0.00 31.44 30.30 2vpf n GLU 42 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 2vpf h ILE 43 N 2.01 0.82 -0.00 -3.67 3.07 -1.82 -2.74 117.51 115.19 2vpf h ILE 43 Ca 0.50 -0.27 0.00 0.00 1.55 0.00 0.00 64.86 66.64 2vpf h ILE 43 Cb 0.31 1.16 0.00 0.00 -0.27 0.00 0.00 36.82 38.02 2vpf h ILE 43 CO 1.21 0.07 -0.01 -1.84 -1.05 0.00 0.00 178.15 176.53 2vpf n GLU 44 N -4.12 1.02 -4.50 0.16 0.00 -1.26 -4.86 120.64 107.09 2vpf n GLU 44 Ca -0.03 -0.16 -0.29 0.00 0.00 0.00 0.00 57.16 56.69 2vpf n GLU 44 Cb 0.16 -1.50 -0.13 0.00 0.00 0.00 0.00 31.44 29.97 2vpf n GLU 44 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 2vpf s TYR 45 N -2.09 2.25 -0.07 -1.84 2.02 -1.03 -4.41 117.35 112.17 2vpf s TYR 45 Ca 0.43 -0.39 0.02 0.00 -0.37 0.00 0.00 57.07 56.77 2vpf s TYR 45 Cb 0.22 -1.25 -0.02 0.00 -0.40 0.00 0.00 41.96 40.50 2vpf s TYR 45 CO 0.38 0.28 -0.13 0.96 -1.57 0.00 0.00 175.55 175.46 2vpf s ILE 46 N -1.01 3.11 0.11 2.71 -4.36 -0.31 -4.94 121.20 116.51 2vpf s ILE 46 Ca 0.13 -0.69 0.02 0.00 -0.26 0.00 0.00 60.65 59.85 2vpf s ILE 46 Cb -0.10 -2.24 -0.04 0.00 1.25 0.00 0.00 42.46 41.33 2vpf s ILE 46 CO 0.05 0.57 0.19 -0.36 0.24 0.00 0.00 174.94 175.63 2vpf s PHE 47 N -0.43 3.38 -0.09 1.37 0.08 -1.26 -1.02 117.98 120.02 2vpf s PHE 47 Ca 0.05 0.13 -0.03 0.00 0.12 0.00 0.00 56.93 57.20 2vpf s PHE 47 Cb -0.12 -1.66 0.04 0.00 -0.57 0.00 0.00 43.02 40.71 2vpf s PHE 47 CO 0.02 0.54 0.10 0.21 -0.10 0.00 0.00 175.22 176.00 2vpf s LYS 48 N -2.80 -0.00 0.87 0.44 2.20 -0.21 -2.92 119.74 117.31 2vpf s LYS 48 Ca 0.33 0.33 -0.11 0.00 -0.36 0.00 0.00 55.97 56.16 2vpf s LYS 48 Cb -0.12 -0.75 0.11 0.00 -1.51 0.00 0.00 37.83 35.57 2vpf s LYS 48 CO 0.26 -0.41 1.09 -1.25 -0.36 0.00 0.00 175.35 174.68 2vpf s PRO 49 N 2.21 1.50 0.07 4.03 0.04 -1.26 -0.68 135.00 140.90 2vpf s PRO 49 Ca 0.04 0.83 0.26 0.00 0.04 0.00 0.00 61.00 62.17 2vpf s PRO 49 Cb -0.13 -1.84 0.78 0.00 0.04 0.00 0.00 34.50 33.36 2vpf s PRO 49 CO -0.05 -2.08 1.64 -1.13 0.04 0.00 0.00 177.00 175.42 2vpf n SER 50 N -3.77 0.44 -4.24 6.66 3.41 -1.15 -4.87 113.62 110.10 2vpf n SER 50 Ca 0.07 0.25 -0.14 0.00 -0.26 0.00 0.00 58.87 58.80 2vpf n SER 50 Cb 0.55 -0.24 -0.10 0.00 -0.26 0.00 0.00 64.21 64.16 2vpf n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2vpf s VAL 52 N -3.72 0.19 -0.41 0.00 -7.23 -0.45 -4.89 120.40 103.89 2vpf s VAL 52 Ca 0.26 -0.55 -0.29 0.00 -1.81 0.00 0.00 61.98 59.59 2vpf s VAL 52 Cb 0.06 -0.25 0.01 0.00 0.56 0.00 0.00 36.38 36.77 2vpf s VAL 52 CO 0.05 -0.23 1.31 -2.16 -0.31 0.00 0.00 175.10 173.76 2vpf s PRO 53 N -0.83 3.69 0.04 4.82 0.04 -1.26 -0.65 135.00 140.85 2vpf s PRO 53 Ca -0.07 0.89 0.08 0.00 0.04 0.00 0.00 61.00 61.93 2vpf s PRO 53 Cb -0.06 -3.96 -0.03 0.00 0.04 0.00 0.00 34.50 30.50 2vpf s PRO 53 CO -0.00 -1.42 -0.21 -0.51 0.04 0.00 0.00 177.00 174.89 2vpf s LEU 54 N 4.94 2.17 -0.25 -3.56 1.43 0.35 -4.91 118.68 118.85 2vpf s LEU 54 Ca 0.56 -0.53 -0.29 0.00 -1.03 0.00 0.00 54.13 52.84 2vpf s LEU 54 Cb -0.12 -1.01 -0.01 0.00 0.03 0.00 0.00 46.19 45.08 2vpf s LEU 54 CO 0.30 0.17 1.38 -0.04 0.23 0.00 0.00 176.35 178.39 2vpf s MET 55 N -1.20 3.96 0.02 1.70 -1.94 -1.26 -0.15 119.30 120.43 2vpf s MET 55 Ca 0.08 1.46 0.02 0.00 -1.71 0.00 0.00 55.69 55.54 2vpf s MET 55 Cb -0.09 -3.90 -0.01 0.00 2.01 0.00 0.00 34.83 32.84 2vpf s MET 55 CO 0.02 -1.07 -0.07 1.03 -0.01 0.00 0.00 175.02 174.92 2vpf s ARG 56 N 4.16 0.49 0.37 2.03 1.81 -0.67 -1.29 118.95 125.85 2vpf s ARG 56 Ca 0.60 -0.49 -0.28 0.00 -1.72 0.00 0.00 55.73 53.84 2vpf s ARG 56 Cb -0.20 -0.36 -0.11 0.00 -0.45 0.00 0.00 34.95 33.83 2vpf s ARG 56 CO 0.23 0.08 1.49 0.00 -0.68 0.00 0.00 175.30 176.43 2vpf s GLY 58 N -0.11 -0.23 0.00 0.00 0.00 -0.83 -4.85 107.32 101.30 2vpf s GLY 58 Ca 0.54 0.02 0.00 0.00 0.00 0.00 0.00 44.72 45.28 2vpf s GLY 58 CO 0.63 0.00 0.00 0.61 0.00 0.00 0.00 173.10 174.35 2vpf n GLY 59 N -0.44 -2.24 3.52 0.20 0.00 -1.26 -1.99 105.19 102.99 2vpf n GLY 59 Ca -0.07 -2.09 -0.25 0.00 0.00 0.00 0.00 46.02 43.62 2vpf n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vpf n ASN 62 N -1.50 0.00 -3.82 0.00 3.02 -1.26 -4.82 115.26 106.89 2vpf n ASN 62 Ca 0.02 0.35 -0.10 0.00 -0.03 0.00 0.00 54.58 54.83 2vpf n ASN 62 Cb 0.63 -0.45 -0.05 0.00 -0.61 0.00 0.00 39.78 39.30 2vpf n ASN 62 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 2vpf s ASP 63 N -2.89 -0.14 0.00 6.41 1.47 -1.26 -5.04 116.67 115.22 2vpf s ASP 63 Ca 0.15 -0.62 0.20 0.00 1.18 0.00 0.00 52.55 53.47 2vpf s ASP 63 Cb 0.17 0.51 1.15 0.00 -0.34 0.00 0.00 42.92 44.41 2vpf s ASP 63 CO 0.44 -0.97 1.61 -0.62 0.68 0.00 0.00 175.17 176.31 2vpf n GLU 64 N -0.28 0.52 0.00 2.11 1.02 -1.26 -2.47 120.64 120.29 2vpf n GLU 64 Ca -0.09 0.03 0.13 0.00 -0.02 0.00 0.00 57.16 57.21 2vpf n GLU 64 Cb 0.63 -1.50 0.47 0.00 -0.02 0.00 0.00 31.44 31.01 2vpf n GLU 64 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2vpf n GLY 65 N 0.32 -0.95 3.61 0.62 0.00 -1.26 -4.88 105.19 102.66 2vpf n GLY 65 Ca 0.13 -0.31 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 2vpf n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2vpf s LEU 66 N -2.63 3.21 0.09 0.99 1.43 -1.03 -1.16 118.68 119.58 2vpf s LEU 66 Ca 0.23 -0.23 0.05 0.00 -1.03 0.00 0.00 54.13 53.14 2vpf s LEU 66 Cb 0.19 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.45 2vpf s LEU 66 CO 0.54 0.22 -0.13 -1.83 0.23 0.00 0.00 176.35 175.37 2vpf s GLU 67 N -1.92 0.89 -0.46 1.70 -1.05 0.05 -4.76 118.70 113.15 2vpf s GLU 67 Ca 0.21 -1.08 -0.22 0.00 -0.15 0.00 0.00 54.97 53.73 2vpf s GLU 67 Cb -0.11 -0.80 0.03 0.00 -0.44 0.00 0.00 34.13 32.80 2vpf s GLU 67 CO 0.13 0.16 0.73 0.00 0.95 0.00 0.00 175.26 177.23 2vpf s VAL 69 N 3.13 1.05 0.31 0.00 -7.23 -0.55 -4.86 120.40 112.26 2vpf s VAL 69 Ca 0.26 -1.33 -0.29 0.00 -1.81 0.00 0.00 61.98 58.82 2vpf s VAL 69 Cb -0.13 -1.06 -0.10 0.00 0.56 0.00 0.00 36.38 35.65 2vpf s VAL 69 CO 0.20 -0.27 1.21 -2.16 -0.31 0.00 0.00 175.10 173.77 2vpf s PRO 70 N -1.84 4.46 0.00 4.82 0.04 -1.26 -1.12 135.00 140.10 2vpf s PRO 70 Ca -0.02 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.03 2vpf s PRO 70 Cb -0.09 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.35 2vpf s PRO 70 CO 0.02 -0.02 0.46 0.25 0.04 0.00 0.00 177.00 177.75 2vpf n THR 71 N 0.91 0.01 -3.66 1.26 -2.24 0.10 -4.89 114.28 105.77 2vpf n THR 71 Ca -0.00 -0.46 -0.07 0.00 -2.27 0.00 0.00 64.05 61.24 2vpf n THR 71 Cb 0.43 1.08 -0.08 0.00 -2.10 0.00 0.00 70.33 69.66 2vpf n THR 71 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2vpf s GLU 72 N -0.01 0.55 0.16 -0.78 2.12 -1.21 -4.91 118.70 114.61 2vpf s GLU 72 Ca 0.00 1.12 0.03 0.00 0.36 0.00 0.00 54.97 56.48 2vpf s GLU 72 Cb 0.00 0.24 -0.05 0.00 0.26 0.00 0.00 34.13 34.58 2vpf s GLU 72 CO 0.00 -0.17 -0.06 -1.21 -0.54 0.00 0.00 175.26 173.28 2vpf s GLU 73 N 1.90 1.07 0.21 4.30 2.02 -1.26 -0.83 118.70 126.11 2vpf s GLU 73 Ca -0.08 -1.48 -0.23 0.00 0.02 0.00 0.00 54.97 53.19 2vpf s GLU 73 Cb -0.08 -0.46 0.04 0.00 0.10 0.00 0.00 34.13 33.73 2vpf s GLU 73 CO -0.17 -0.02 0.81 -1.54 0.02 0.00 0.00 175.26 174.37 2vpf s SER 74 N -3.17 -0.25 0.21 -0.19 1.04 -0.73 -4.89 113.70 105.72 2vpf s SER 74 Ca 0.19 -0.46 0.09 0.00 0.48 0.00 0.00 55.95 56.25 2vpf s SER 74 Cb 0.04 0.61 -0.04 0.00 0.10 0.00 0.00 66.02 66.73 2vpf s SER 74 CO 0.02 -1.11 -0.04 0.20 0.98 0.00 0.00 173.24 173.28 2vpf s ASN 75 N -2.90 4.49 -0.01 7.02 -0.87 -1.26 -0.35 114.94 121.06 2vpf s ASN 75 Ca 0.10 -0.55 0.02 0.00 -1.57 0.00 0.00 52.86 50.86 2vpf s ASN 75 Cb -0.04 -0.84 0.00 0.00 -0.02 0.00 0.00 41.25 40.36 2vpf s ASN 75 CO 0.03 0.07 -0.06 -0.51 -2.57 0.00 0.00 177.10 174.06 2vpf s ILE 76 N -1.92 0.49 -0.13 0.60 2.07 -0.17 -4.93 121.20 117.21 2vpf s ILE 76 Ca 0.28 -0.23 -0.04 0.00 -1.41 0.00 0.00 60.65 59.25 2vpf s ILE 76 Cb -0.08 -0.44 -0.03 0.00 0.13 0.00 0.00 42.46 42.04 2vpf s ILE 76 CO 0.18 0.16 0.01 -0.89 -1.91 0.00 0.00 174.94 172.48 2vpf s THR 77 N 0.09 4.35 0.07 4.00 2.01 -1.26 -0.34 115.64 124.57 2vpf s THR 77 Ca -0.01 -0.21 0.02 0.00 0.31 0.00 0.00 61.69 61.81 2vpf s THR 77 Cb -0.05 -2.88 -0.03 0.00 0.01 0.00 0.00 72.50 69.54 2vpf s THR 77 CO -0.00 0.54 -0.08 -0.04 -0.69 0.00 0.00 174.62 174.35 2vpf s MET 78 N -0.27 0.70 -0.21 4.92 1.00 -0.41 -4.94 119.30 120.08 2vpf s MET 78 Ca 0.06 -1.03 -0.20 0.00 0.00 0.00 0.00 55.69 54.53 2vpf s MET 78 Cb -0.12 -0.33 -0.03 0.00 0.00 0.00 0.00 34.83 34.35 2vpf s MET 78 CO 0.02 0.04 0.60 -0.65 0.00 0.00 0.00 175.02 175.03 2vpf s GLN 79 N -2.54 4.18 -0.02 2.03 -0.21 -1.26 -0.44 119.66 121.40 2vpf s GLN 79 Ca 0.00 0.55 0.03 0.00 0.02 0.00 0.00 55.36 55.96 2vpf s GLN 79 Cb -0.04 -3.59 -0.00 0.00 1.00 0.00 0.00 33.01 30.38 2vpf s GLN 79 CO -0.01 -0.26 -0.11 0.42 -2.12 0.00 0.00 175.29 173.21 2vpf s ILE 80 N 1.97 0.92 -0.22 1.08 -1.09 0.09 -4.92 121.20 119.03 2vpf s ILE 80 Ca 0.27 -0.47 -0.25 0.00 -2.23 0.00 0.00 60.65 57.97 2vpf s ILE 80 Cb -0.16 -0.78 -0.01 0.00 -1.58 0.00 0.00 42.46 39.93 2vpf s ILE 80 CO 0.10 0.27 0.86 -0.32 -1.23 0.00 0.00 174.94 174.61 2vpf s MET 81 N -0.09 4.23 -0.22 2.79 -2.45 0.14 -1.40 119.30 122.29 2vpf s MET 81 Ca 0.01 1.02 -0.17 0.00 -1.25 0.00 0.00 55.69 55.30 2vpf s MET 81 Cb -0.06 -3.62 -0.03 0.00 1.25 0.00 0.00 34.83 32.36 2vpf s MET 81 CO 0.00 -0.48 0.45 1.03 1.05 0.00 0.00 175.02 177.07 2vpf s ARG 82 N 2.69 4.13 -0.22 4.11 0.52 0.12 -1.04 118.95 129.26 2vpf s ARG 82 Ca 0.37 0.25 -0.05 0.00 -0.52 0.00 0.00 55.73 55.78 2vpf s ARG 82 Cb -0.16 -3.59 -0.02 0.00 0.52 0.00 0.00 34.95 31.71 2vpf s ARG 82 CO 0.09 -0.17 -0.00 0.42 0.02 0.00 0.00 175.30 175.66 2vpf s ILE 83 N 1.71 3.81 -0.43 1.52 1.01 -0.19 -0.87 121.20 127.76 2vpf s ILE 83 Ca 0.20 -0.35 -0.12 0.00 0.00 0.00 0.00 60.65 60.38 2vpf s ILE 83 Cb -0.15 -2.74 0.06 0.00 0.01 0.00 0.00 42.46 39.64 2vpf s ILE 83 CO 0.09 0.40 0.31 -0.75 0.00 0.00 0.00 174.94 174.99 2vpf s LYS 84 N 1.33 2.82 0.05 2.79 2.20 -0.03 -1.16 119.74 127.74 2vpf s LYS 84 Ca 0.04 -1.33 -0.36 0.00 -0.36 0.00 0.00 55.97 53.96 2vpf s LYS 84 Cb -0.15 -3.93 -0.16 0.00 -1.51 0.00 0.00 37.83 32.08 2vpf s LYS 84 CO 0.00 -0.93 1.46 -2.30 -0.36 0.00 0.00 175.35 173.22 2vpf n PRO 85 N 5.07 1.39 -0.95 4.03 -0.02 -1.26 -1.05 135.00 142.21 2vpf n PRO 85 Ca -0.11 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 2vpf n PRO 85 Cb 0.44 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 2vpf n PRO 85 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2vpf n HIS 86 N 3.19 0.00 -1.61 6.00 8.25 -1.26 -4.83 115.22 124.96 2vpf n HIS 86 Ca 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.65 2vpf n HIS 86 Cb 0.21 -1.01 0.00 0.00 1.12 0.00 0.00 29.99 30.31 2vpf n HIS 86 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2vpf n GLN 87 N -1.11 0.10 0.00 -0.41 6.02 -0.21 -5.15 117.38 116.62 2vpf n GLN 87 Ca 0.00 -0.90 0.00 0.00 -0.01 0.00 0.00 57.00 56.09 2vpf n GLN 87 Cb 0.21 -0.54 0.00 0.00 1.02 0.00 0.00 30.24 30.93 2vpf n GLN 87 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2vpf n GLY 88 N -0.06 3.01 2.95 1.08 0.00 -1.17 -4.83 105.19 106.18 2vpf n GLY 88 Ca 0.01 -1.88 -0.17 0.00 0.00 0.00 0.00 46.02 43.98 2vpf n GLY 88 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2vpf s GLN 89 N -3.38 0.50 -0.01 1.61 1.11 -1.26 -0.85 119.66 117.39 2vpf s GLN 89 Ca 0.00 -0.18 0.01 0.00 0.01 0.00 0.00 55.36 55.20 2vpf s GLN 89 Cb 0.00 -0.50 0.00 0.00 -1.01 0.00 0.00 33.01 31.50 2vpf s GLN 89 CO 0.00 0.08 -0.01 -1.01 0.01 0.00 0.00 175.29 174.36 2vpf s HIS 90 N 0.07 0.18 -0.12 0.91 0.09 -0.05 -4.98 115.29 111.39 2vpf s HIS 90 Ca -0.00 -0.02 -0.20 0.00 -0.00 0.00 0.00 55.06 54.85 2vpf s HIS 90 Cb -0.05 -0.16 -0.04 0.00 -0.00 0.00 0.00 32.58 32.34 2vpf s HIS 90 CO -0.00 -0.03 0.54 0.42 -0.00 0.00 0.00 174.74 175.67 2vpf s ILE 91 N 0.18 5.14 0.17 0.60 1.01 -1.26 -0.70 121.20 126.33 2vpf s ILE 91 Ca -0.01 1.08 -0.11 0.00 0.00 0.00 0.00 60.65 61.60 2vpf s ILE 91 Cb -0.03 -3.88 0.00 0.00 0.01 0.00 0.00 42.46 38.56 2vpf s ILE 91 CO -0.01 0.28 0.33 -0.83 0.00 0.00 0.00 174.94 174.72 2vpf s GLY 92 N 0.76 0.33 0.01 6.18 0.00 -0.49 -4.94 107.32 109.17 2vpf s GLY 92 Ca 0.28 -0.72 -0.30 0.00 0.00 0.00 0.00 44.72 43.99 2vpf s GLY 92 CO 0.12 -0.71 0.96 -0.54 0.00 0.00 0.00 173.10 172.93 2vpf s GLU 93 N -3.94 4.57 -0.02 2.90 2.02 -1.26 -0.73 118.70 122.24 2vpf s GLU 93 Ca 0.15 1.39 0.04 0.00 0.02 0.00 0.00 54.97 56.57 2vpf s GLU 93 Cb 0.02 -3.45 -0.01 0.00 0.10 0.00 0.00 34.13 30.80 2vpf s GLU 93 CO -0.01 -0.00 -0.13 -1.64 0.02 0.00 0.00 175.26 173.49 2vpf s MET 94 N 0.83 1.25 -0.02 1.61 -1.94 0.41 -4.93 119.30 116.51 2vpf s MET 94 Ca 0.50 -0.48 -0.10 0.00 -1.71 0.00 0.00 55.69 53.91 2vpf s MET 94 Cb -0.21 -1.16 -0.05 0.00 2.01 0.00 0.00 34.83 35.42 2vpf s MET 94 CO 0.28 0.24 0.30 0.45 -0.01 0.00 0.00 175.02 176.28 2vpf s SER 95 N -0.10 6.60 0.04 3.03 0.15 -1.26 -1.29 113.70 120.87 2vpf s SER 95 Ca 0.01 0.72 0.02 0.00 0.70 0.00 0.00 55.95 57.40 2vpf s SER 95 Cb -0.08 -2.16 -0.02 0.00 -1.71 0.00 0.00 66.02 62.05 2vpf s SER 95 CO 0.00 0.31 -0.08 -0.36 1.20 0.00 0.00 173.24 174.31 2vpf s PHE 96 N -1.16 0.69 0.08 3.44 0.08 0.54 -4.95 117.98 116.70 2vpf s PHE 96 Ca 0.24 -0.47 -0.24 0.00 0.12 0.00 0.00 56.93 56.58 2vpf s PHE 96 Cb -0.14 -0.41 -0.06 0.00 -0.57 0.00 0.00 43.02 41.83 2vpf s PHE 96 CO 0.12 -0.07 0.75 -1.17 -0.10 0.00 0.00 175.22 174.75 2vpf s LEU 97 N -1.48 4.50 0.24 -0.37 2.96 -1.26 -1.00 118.68 122.27 2vpf s LEU 97 Ca -0.09 1.48 0.11 0.00 -0.22 0.00 0.00 54.13 55.42 2vpf s LEU 97 Cb -0.09 -3.21 -0.05 0.00 0.50 0.00 0.00 46.19 43.34 2vpf s LEU 97 CO 0.00 0.10 -0.21 -1.10 -1.32 0.00 0.00 176.35 173.82 2vpf s GLN 98 N -0.48 1.59 -0.18 1.98 -0.21 0.53 -4.86 119.66 118.02 2vpf s GLN 98 Ca 0.37 -1.66 -0.05 0.00 0.02 0.00 0.00 55.36 54.03 2vpf s GLN 98 Cb -0.21 -1.73 -0.03 0.00 1.00 0.00 0.00 33.01 32.03 2vpf s GLN 98 CO 0.23 0.34 0.01 -1.01 -2.12 0.00 0.00 175.29 172.74 2vpf s HIS 99 N -2.24 3.10 -0.08 0.91 3.76 -0.41 -1.77 115.29 118.54 2vpf s HIS 99 Ca 0.26 -0.24 0.17 0.00 -0.15 0.00 0.00 55.06 55.10 2vpf s HIS 99 Cb -0.06 -2.05 -0.25 0.00 1.11 0.00 0.00 32.58 31.33 2vpf s HIS 99 CO 0.12 -0.06 0.25 0.09 -0.85 0.00 0.00 174.74 174.30 2vpf n ASN 100 N 3.83 0.87 -3.80 1.40 4.13 -0.01 -4.53 115.26 117.16 2vpf n ASN 100 Ca -0.17 0.00 -0.13 0.00 1.68 0.00 0.00 54.58 55.97 2vpf n ASN 100 Cb 0.52 1.44 -0.11 0.00 -1.54 0.00 0.00 39.78 40.09 2vpf n ASN 100 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2vpf s LYS 101 N -2.90 0.35 0.07 3.52 1.02 -1.20 -4.86 119.74 115.74 2vpf s LYS 101 Ca -0.07 0.18 0.03 0.00 0.02 0.00 0.00 55.97 56.13 2vpf s LYS 101 Cb 0.09 0.16 -0.03 0.00 -0.52 0.00 0.00 37.83 37.53 2vpf s LYS 101 CO 0.72 -0.06 -0.10 0.00 -0.92 0.00 0.00 175.35 175.00 2vpf s GLU 103 N -2.24 0.43 -0.15 0.00 2.12 -0.27 -4.88 118.70 113.70 2vpf s GLU 103 Ca -0.01 -0.36 -0.29 0.00 0.36 0.00 0.00 54.97 54.66 2vpf s GLU 103 Cb -0.06 0.18 -0.00 0.00 0.26 0.00 0.00 34.13 34.50 2vpf s GLU 103 CO 0.00 -0.10 1.01 0.00 -0.54 0.00 0.00 175.26 175.63 2vpf s ARG 105 N 2.43 0.55 0.24 0.00 0.52 -0.41 -4.89 118.95 117.39 2vpf s ARG 105 Ca 0.46 -0.77 -0.31 0.00 -0.52 0.00 0.00 55.73 54.59 2vpf s ARG 105 Cb -0.17 -0.33 -0.14 0.00 0.52 0.00 0.00 34.95 34.84 2vpf s ARG 105 CO 0.13 0.06 1.32 -2.30 0.02 0.00 0.00 175.30 174.54 2vpf n PRO 106 N 1.46 1.83 -2.24 3.54 -0.02 -1.26 -0.77 135.00 137.54 2vpf n PRO 106 Ca -0.23 0.65 -0.36 0.00 -2.02 0.00 0.00 63.50 61.54 2vpf n PRO 106 Cb 0.55 -2.25 -0.00 0.00 -0.02 0.00 0.00 33.50 31.77 2vpf n PRO 106 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2vpf s LYS 107 N -0.59 3.58 0.00 -0.52 1.02 -0.30 -4.80 119.74 118.12 2vpf s LYS 107 Ca 0.67 1.74 0.00 0.00 0.02 0.00 0.00 55.97 58.40 2vpf s LYS 107 Cb -0.69 -2.25 0.00 0.00 -0.52 0.00 0.00 37.83 34.37 2vpf s LYS 107 CO 0.52 -0.69 0.00 0.36 -0.92 0.00 0.00 175.35 174.62 2vpf n LYS 108 N -0.81 3.26 0.00 1.68 -0.00 -1.26 -5.04 118.16 115.99 2vpf n LYS 108 Ca 0.09 0.00 0.11 0.00 -0.00 0.00 0.00 58.31 58.51 2vpf n LYS 108 Cb 0.49 0.00 0.09 0.00 -0.00 0.00 0.00 35.03 35.61 2vpf n LYS 108 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15