#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vpf s VAL 15 N 0.00 3.27 0.49 2.52 1.01 -1.26 -4.98 120.40 121.45 2vpf s VAL 15 Ca 0.00 0.79 -0.20 0.00 0.00 0.00 0.00 61.98 62.57 2vpf s VAL 15 Cb 0.00 -3.51 -0.08 0.00 0.00 0.00 0.00 36.38 32.79 2vpf s VAL 15 CO 0.00 0.02 1.02 -0.54 0.00 0.00 0.00 175.10 175.60 2vpf s LYS 16 N 2.02 3.82 0.13 2.72 -0.14 -1.26 -4.89 119.74 122.14 2vpf s LYS 16 Ca 0.68 1.27 -0.20 0.00 -1.36 0.00 0.00 55.97 56.36 2vpf s LYS 16 Cb -0.37 -2.10 -0.02 0.00 -1.68 0.00 0.00 37.83 33.66 2vpf s LYS 16 CO 0.30 -0.40 1.70 0.35 -0.76 0.00 0.00 175.35 176.54 2vpf h PHE 17 N 1.43 -0.13 0.00 3.18 3.57 -2.00 -2.01 116.94 120.97 2vpf h PHE 17 Ca -0.49 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.00 2vpf h PHE 17 Cb 1.21 0.09 -0.00 0.00 2.79 0.00 0.00 35.95 40.04 2vpf h PHE 17 CO 0.58 -0.10 -0.13 0.52 -2.23 0.00 0.00 178.31 176.95 2vpf h MET 18 N -0.01 0.00 -0.01 1.11 2.86 -1.99 -1.74 114.93 115.15 2vpf h MET 18 Ca 0.10 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.69 2vpf h MET 18 Cb 0.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.83 2vpf h MET 18 CO -0.22 0.13 -0.20 0.22 1.06 0.00 0.00 176.91 177.89 2vpf h ASP 19 N 0.00 0.20 -0.87 1.22 3.58 -1.78 -2.61 116.42 116.16 2vpf h ASP 19 Ca -0.00 -0.74 -0.02 0.00 0.42 0.00 0.00 57.03 56.68 2vpf h ASP 19 Cb 0.48 -0.06 -0.04 0.00 1.72 0.00 0.00 39.33 41.43 2vpf h ASP 19 CO 0.02 0.91 0.45 0.58 -2.88 0.00 0.00 179.24 178.32 2vpf h VAL 20 N -0.50 1.26 -0.83 2.25 2.07 -1.22 -2.12 116.25 117.17 2vpf h VAL 20 Ca -0.02 -0.68 -0.03 0.00 0.82 0.00 0.00 66.70 66.79 2vpf h VAL 20 Cb 0.93 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 2vpf h VAL 20 CO 0.04 0.30 0.42 0.22 0.02 0.00 0.00 177.57 178.57 2vpf h TYR 21 N 1.23 1.17 -0.04 1.57 3.20 -1.37 -1.88 116.97 120.85 2vpf h TYR 21 Ca 0.30 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.12 2vpf h TYR 21 Cb 0.07 -0.37 -0.00 0.00 1.54 0.00 0.00 36.73 37.97 2vpf h TYR 21 CO 0.01 0.83 -0.01 0.37 -1.64 0.00 0.00 178.16 177.72 2vpf h GLN 22 N 1.17 0.08 0.00 1.82 4.15 -1.24 -3.29 115.11 117.80 2vpf h GLN 22 Ca 0.29 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.68 2vpf h GLN 22 Cb 0.08 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.77 2vpf h GLN 22 CO -0.04 0.45 0.00 0.00 -1.93 0.00 0.00 178.83 177.31 2vpf h ARG 23 N -0.30 0.00 0.00 1.69 3.08 -1.33 -3.24 114.38 114.27 2vpf h ARG 23 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2vpf h ARG 23 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 2vpf h ARG 23 CO 0.00 0.00 -0.75 -1.13 -1.07 0.00 0.00 179.97 177.03 2vpf n SER 24 N -2.94 0.62 -4.77 7.04 3.41 -0.71 -4.94 113.62 111.34 2vpf n SER 24 Ca 0.03 -0.13 -0.40 0.00 -0.26 0.00 0.00 58.87 58.11 2vpf n SER 24 Cb 0.44 0.44 -0.01 0.00 -0.26 0.00 0.00 64.21 64.82 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 -3.13 2.85 -0.05 7.33 5.04 -1.23 -2.01 117.35 126.15 2vpf s TYR 25 Ca 0.07 1.39 -0.05 0.00 -2.44 0.00 0.00 57.07 56.04 2vpf s TYR 25 Cb 0.15 -3.70 -0.02 0.00 0.35 0.00 0.00 41.96 38.74 2vpf s TYR 25 CO 0.75 -2.12 0.18 0.00 -1.34 0.00 0.00 175.55 173.02 2vpf s HIS 27 N 0.34 -0.11 -0.01 0.00 -3.43 -0.71 -4.90 115.29 106.48 2vpf s HIS 27 Ca 0.12 0.01 -0.30 0.00 -0.80 0.00 0.00 55.06 54.08 2vpf s HIS 27 Cb -0.16 0.54 -0.05 0.00 -1.43 0.00 0.00 32.58 31.48 2vpf s HIS 27 CO 0.09 -0.33 1.29 -2.14 -2.00 0.00 0.00 174.74 171.64 2vpf s PRO 28 N -2.58 4.34 0.10 -0.38 0.02 -1.26 -1.11 135.00 134.13 2vpf s PRO 28 Ca 0.11 1.82 0.08 0.00 0.02 0.00 0.00 61.00 63.03 2vpf s PRO 28 Cb 0.01 -3.51 -0.03 0.00 0.02 0.00 0.00 34.50 30.98 2vpf s PRO 28 CO -0.04 -0.46 -0.20 -1.50 -0.33 0.00 0.00 177.00 174.47 2vpf s ILE 29 N 2.04 1.64 -0.04 2.83 1.10 -0.02 -4.85 121.20 123.92 2vpf s ILE 29 Ca 0.60 -1.54 -0.30 0.00 -0.51 0.00 0.00 60.65 58.90 2vpf s ILE 29 Cb -0.29 -1.52 -0.05 0.00 0.15 0.00 0.00 42.46 40.76 2vpf s ILE 29 CO 0.25 -0.10 1.51 -0.70 -2.11 0.00 0.00 174.94 173.80 2vpf s GLU 30 N -1.94 4.22 -0.02 3.50 2.12 -1.26 -1.79 118.70 123.53 2vpf s GLU 30 Ca 0.06 2.06 0.03 0.00 0.36 0.00 0.00 54.97 57.48 2vpf s GLU 30 Cb -0.10 -3.76 -0.00 0.00 0.26 0.00 0.00 34.13 30.53 2vpf s GLU 30 CO 0.04 -0.72 -0.12 0.99 -0.54 0.00 0.00 175.26 174.91 2vpf s THR 31 N 3.22 1.00 -0.32 -1.70 2.01 -0.29 -4.94 115.64 114.63 2vpf s THR 31 Ca 0.68 -0.50 -0.18 0.00 0.31 0.00 0.00 61.69 62.00 2vpf s THR 31 Cb -0.32 -0.86 -0.01 0.00 0.01 0.00 0.00 72.50 71.31 2vpf s THR 31 CO 0.27 0.30 0.49 -0.76 -0.69 0.00 0.00 174.62 174.22 2vpf s LEU 32 N -0.02 4.23 -0.09 4.42 2.01 -1.26 -1.13 118.68 126.84 2vpf s LEU 32 Ca -0.00 0.15 0.02 0.00 0.01 0.00 0.00 54.13 54.30 2vpf s LEU 32 Cb -0.08 -2.58 -0.02 0.00 0.01 0.00 0.00 46.19 43.52 2vpf s LEU 32 CO 0.00 -0.39 -0.14 -0.69 1.01 0.00 0.00 176.35 176.15 2vpf s VAL 33 N 2.32 3.07 0.20 -1.59 1.01 -0.48 -4.91 120.40 120.02 2vpf s VAL 33 Ca 0.19 -0.69 -0.30 0.00 0.00 0.00 0.00 61.98 61.17 2vpf s VAL 33 Cb -0.16 -2.24 -0.09 0.00 0.00 0.00 0.00 36.38 33.89 2vpf s VAL 33 CO 0.12 0.56 1.38 -0.62 0.00 0.00 0.00 175.10 176.54 2vpf s ASP 34 N -0.25 6.79 0.06 3.32 2.15 -1.26 -0.94 116.67 126.53 2vpf s ASP 34 Ca 0.02 2.48 -0.19 0.00 0.43 0.00 0.00 52.55 55.28 2vpf s ASP 34 Cb -0.13 -2.61 -0.12 0.00 -0.30 0.00 0.00 42.92 39.76 2vpf s ASP 34 CO 0.03 -0.62 1.40 0.40 -0.17 0.00 0.00 175.17 176.20 2vpf h ILE 35 N 3.79 1.32 -0.00 4.11 2.04 -1.65 -3.01 117.51 124.11 2vpf h ILE 35 Ca -0.44 -1.21 0.00 0.00 1.00 0.00 0.00 64.86 64.21 2vpf h ILE 35 Cb 1.21 1.71 -0.00 0.00 -0.74 0.00 0.00 36.82 39.00 2vpf h ILE 35 CO 0.80 0.36 0.00 0.15 0.00 0.00 0.00 178.15 179.47 2vpf h PHE 36 N 0.09 0.00 -0.60 1.37 3.57 -1.87 -0.62 116.94 118.87 2vpf h PHE 36 Ca 0.04 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.47 2vpf h PHE 36 Cb 0.62 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.34 2vpf h PHE 36 CO 0.07 0.00 0.12 0.37 -2.23 0.00 0.00 178.31 176.64 2vpf h GLN 37 N 0.00 0.96 0.00 1.11 4.15 -1.92 -2.66 115.11 116.75 2vpf h GLN 37 Ca 0.00 -0.22 0.00 0.00 0.77 0.00 0.00 58.65 59.20 2vpf h GLN 37 Cb 0.01 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.57 2vpf h GLN 37 CO -0.00 0.87 0.00 0.39 -1.93 0.00 0.00 178.83 178.16 2vpf n GLU 38 N -4.24 0.06 -3.18 1.69 -0.58 -0.34 -4.19 120.64 109.87 2vpf n GLU 38 Ca 0.04 0.06 -0.21 0.00 -0.42 0.00 0.00 57.16 56.63 2vpf n GLU 38 Cb 0.26 -1.57 -0.04 0.00 -0.57 0.00 0.00 31.44 29.51 2vpf n GLU 38 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2vpf n TYR 39 N -1.68 0.47 0.33 -0.32 4.02 -0.63 -4.99 117.16 114.34 2vpf n TYR 39 Ca 0.07 -3.77 0.20 0.00 -0.01 0.00 0.00 57.90 54.38 2vpf n TYR 39 Cb 0.36 -0.41 1.06 0.00 -0.02 0.00 0.00 39.34 40.33 2vpf n TYR 39 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2vpf h PRO 40 N 3.34 0.00 0.00 -0.72 0.13 -1.65 -1.22 132.00 131.88 2vpf h PRO 40 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2vpf h PRO 40 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 2vpf h PRO 40 CO 0.53 0.00 0.00 -0.44 -0.23 0.00 0.00 178.00 177.86 2vpf h ASP 41 N 0.00 0.00 -1.28 1.44 3.32 -1.94 -3.37 116.42 114.59 2vpf h ASP 41 Ca 0.01 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.39 2vpf h ASP 41 Cb 0.24 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 39.62 2vpf h ASP 41 CO -0.00 0.00 1.55 -0.62 -1.72 0.00 0.00 179.24 178.45 2vpf n GLU 42 N -2.48 3.89 0.11 3.56 -0.58 -0.46 -4.68 120.64 119.99 2vpf n GLU 42 Ca 0.05 -3.23 0.13 0.00 -0.42 0.00 0.00 57.16 53.68 2vpf n GLU 42 Cb 0.44 -2.44 0.44 0.00 -0.57 0.00 0.00 31.44 29.31 2vpf n GLU 42 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 2vpf n ILE 43 N 1.15 0.64 1.32 -3.67 -5.35 -1.26 -3.18 119.36 109.01 2vpf n ILE 43 Ca 0.56 -0.10 0.14 0.00 -0.27 0.00 0.00 62.75 63.08 2vpf n ILE 43 Cb 0.35 -0.77 0.54 0.00 -1.74 0.00 0.00 39.64 38.01 2vpf n ILE 43 CO 0.00 0.00 0.00 -1.84 -1.76 0.00 0.00 176.55 172.95 2vpf n GLU 44 N -2.20 0.63 -4.15 6.28 0.00 -1.26 -4.91 120.64 115.02 2vpf n GLU 44 Ca 0.05 -0.26 -0.24 0.00 0.00 0.00 0.00 57.16 56.71 2vpf n GLU 44 Cb 0.36 -1.49 -0.06 0.00 0.00 0.00 0.00 31.44 30.25 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 -2.55 3.00 -0.10 -1.84 2.02 -1.19 -4.57 117.35 112.12 2vpf s TYR 45 Ca 0.26 -0.11 -0.03 0.00 -0.37 0.00 0.00 57.07 56.82 2vpf s TYR 45 Cb 0.20 -1.39 -0.03 0.00 -0.40 0.00 0.00 41.96 40.33 2vpf s TYR 45 CO 0.50 0.54 0.02 0.42 -1.57 0.00 0.00 175.55 175.46 2vpf s ILE 46 N -2.00 4.42 -0.01 2.71 1.01 -0.30 -4.94 121.20 122.10 2vpf s ILE 46 Ca 0.31 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.77 2vpf s ILE 46 Cb -0.08 -2.88 -0.04 0.00 0.01 0.00 0.00 42.46 39.47 2vpf s ILE 46 CO 0.22 0.59 0.03 -0.36 0.00 0.00 0.00 174.94 175.42 2vpf s PHE 47 N -0.69 3.17 -0.05 3.97 0.08 -1.26 -1.14 117.98 122.06 2vpf s PHE 47 Ca 0.11 0.15 -0.01 0.00 0.12 0.00 0.00 56.93 57.30 2vpf s PHE 47 Cb -0.12 -1.71 0.03 0.00 -0.57 0.00 0.00 43.02 40.65 2vpf s PHE 47 CO 0.02 0.50 0.00 0.21 -0.10 0.00 0.00 175.22 175.86 2vpf s LYS 48 N -1.56 0.49 0.95 0.44 2.20 -0.66 -3.15 119.74 118.45 2vpf s LYS 48 Ca 0.20 0.10 -0.11 0.00 -0.36 0.00 0.00 55.97 55.80 2vpf s LYS 48 Cb -0.12 -0.79 0.16 0.00 -1.51 0.00 0.00 37.83 35.58 2vpf s LYS 48 CO 0.11 -0.23 1.09 -1.25 -0.36 0.00 0.00 175.35 174.71 2vpf s PRO 49 N 1.62 0.81 0.00 4.03 0.04 -1.26 -0.45 135.00 139.78 2vpf s PRO 49 Ca -0.01 1.07 0.28 0.00 0.04 0.00 0.00 61.00 62.37 2vpf s PRO 49 Cb -0.13 -1.74 0.98 0.00 0.04 0.00 0.00 34.50 33.66 2vpf s PRO 49 CO -0.03 -2.62 1.73 -1.13 0.04 0.00 0.00 177.00 174.99 2vpf n SER 50 N -4.18 0.33 -4.15 6.66 3.41 -1.19 -4.88 113.62 109.62 2vpf n SER 50 Ca 0.08 -0.10 -0.10 0.00 -0.26 0.00 0.00 58.87 58.49 2vpf n SER 50 Cb 0.54 -0.11 -0.10 0.00 -0.26 0.00 0.00 64.21 64.28 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 -3.83 0.66 -0.23 0.00 -7.23 -0.11 -4.89 120.40 104.76 2vpf s VAL 52 Ca 0.16 -1.16 -0.29 0.00 -1.81 0.00 0.00 61.98 58.88 2vpf s VAL 52 Cb 0.07 -0.74 0.01 0.00 0.56 0.00 0.00 36.38 36.28 2vpf s VAL 52 CO -0.03 -0.37 1.06 -2.16 -0.31 0.00 0.00 175.10 173.29 2vpf s PRO 53 N -1.69 4.25 0.02 4.82 0.04 -1.26 -1.38 135.00 139.79 2vpf s PRO 53 Ca -0.08 1.37 0.01 0.00 0.04 0.00 0.00 61.00 62.34 2vpf s PRO 53 Cb -0.09 -3.65 -0.01 0.00 0.04 0.00 0.00 34.50 30.78 2vpf s PRO 53 CO 0.01 -0.65 -0.05 -0.51 0.04 0.00 0.00 177.00 175.84 2vpf s LEU 54 N 3.25 2.16 -0.26 -3.56 1.43 -0.29 -4.94 118.68 116.47 2vpf s LEU 54 Ca 0.45 -0.35 -0.29 0.00 -1.03 0.00 0.00 54.13 52.91 2vpf s LEU 54 Cb -0.15 -0.09 0.01 0.00 0.03 0.00 0.00 46.19 45.99 2vpf s LEU 54 CO 0.07 -0.14 1.10 -0.04 0.23 0.00 0.00 176.35 177.57 2vpf s MET 55 N -0.98 4.16 0.02 1.70 -1.94 -1.26 -1.14 119.30 119.86 2vpf s MET 55 Ca -0.07 1.29 0.01 0.00 -1.71 0.00 0.00 55.69 55.21 2vpf s MET 55 Cb -0.07 -3.71 -0.02 0.00 2.01 0.00 0.00 34.83 33.05 2vpf s MET 55 CO -0.00 -0.77 -0.05 1.03 -0.01 0.00 0.00 175.02 175.22 2vpf s ARG 56 N 3.46 0.37 0.26 2.03 1.81 -0.74 -0.34 118.95 125.80 2vpf s ARG 56 Ca 0.47 -0.49 -0.30 0.00 -1.72 0.00 0.00 55.73 53.68 2vpf s ARG 56 Cb -0.15 -0.16 -0.11 0.00 -0.45 0.00 0.00 34.95 34.08 2vpf s ARG 56 CO 0.12 0.03 1.59 0.00 -0.68 0.00 0.00 175.30 176.35 2vpf s GLY 58 N 0.65 0.26 0.00 0.00 0.00 -0.27 -4.84 107.32 103.12 2vpf s GLY 58 Ca 0.65 -0.60 0.00 0.00 0.00 0.00 0.00 44.72 44.77 2vpf s GLY 58 CO 0.43 -0.47 0.00 0.61 0.00 0.00 0.00 173.10 173.67 2vpf n GLY 59 N -0.36 -1.92 3.53 0.20 0.00 -1.26 -1.73 105.19 103.65 2vpf n GLY 59 Ca -0.05 -2.15 -0.24 0.00 0.00 0.00 0.00 46.02 43.58 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 -2.03 -4.35 -3.60 0.00 3.02 -1.26 -4.97 115.26 102.07 2vpf n ASN 62 Ca -0.02 0.09 -0.06 0.00 -0.03 0.00 0.00 54.58 54.56 2vpf n ASN 62 Cb 0.45 -3.38 -0.07 0.00 -0.61 0.00 0.00 39.78 36.16 2vpf n ASN 62 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2vpf s ASP 63 N -2.52 -0.54 0.32 6.41 -1.08 -1.26 -5.04 116.67 112.96 2vpf s ASP 63 Ca 0.00 1.09 0.26 0.00 -0.52 0.00 0.00 52.55 53.38 2vpf s ASP 63 Cb 0.00 1.66 1.06 0.00 -1.46 0.00 0.00 42.92 44.17 2vpf s ASP 63 CO 0.00 -0.24 1.78 -0.33 0.52 0.00 0.00 175.17 176.90 2vpf h GLU 64 N 8.11 0.00 -0.02 4.34 4.39 -2.03 -2.82 114.58 126.56 2vpf h GLU 64 Ca -0.17 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.32 2vpf h GLU 64 Cb 1.11 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.76 2vpf h GLU 64 CO 0.13 0.00 -0.87 0.78 -1.16 0.00 0.00 179.01 177.89 2vpf h GLY 65 N 2.33 0.40 -1.98 -3.84 0.00 -1.96 -3.47 103.07 94.54 2vpf h GLY 65 Ca 0.00 -0.67 -0.44 0.00 0.00 0.00 0.00 47.33 46.22 2vpf h GLY 65 CO 0.00 0.59 -0.10 1.08 0.00 0.00 0.00 176.54 178.11 2vpf s LEU 66 N -7.72 3.34 -0.09 3.11 1.43 -1.07 -4.39 118.68 113.30 2vpf s LEU 66 Ca -0.05 -0.33 -0.09 0.00 -1.03 0.00 0.00 54.13 52.63 2vpf s LEU 66 Cb 0.10 -2.49 0.02 0.00 0.03 0.00 0.00 46.19 43.85 2vpf s LEU 66 CO 0.85 -1.14 0.25 -1.83 0.23 0.00 0.00 176.35 174.72 2vpf s GLU 67 N -4.66 0.31 -0.46 1.70 -1.05 0.52 -4.83 118.70 110.24 2vpf s GLU 67 Ca 0.58 0.32 -0.29 0.00 -0.15 0.00 0.00 54.97 55.44 2vpf s GLU 67 Cb -0.09 0.15 0.02 0.00 -0.44 0.00 0.00 34.13 33.77 2vpf s GLU 67 CO 0.37 -0.04 1.26 0.00 0.95 0.00 0.00 175.26 177.81 2vpf s VAL 69 N 4.94 1.42 0.26 0.00 -7.23 -0.48 -4.86 120.40 114.45 2vpf s VAL 69 Ca 0.54 -1.73 -0.30 0.00 -1.81 0.00 0.00 61.98 58.68 2vpf s VAL 69 Cb -0.10 -1.57 -0.09 0.00 0.56 0.00 0.00 36.38 35.18 2vpf s VAL 69 CO 0.32 -0.38 1.25 -2.16 -0.31 0.00 0.00 175.10 173.82 2vpf s PRO 70 N -2.63 4.45 -0.01 4.82 0.04 -1.26 -0.96 135.00 139.45 2vpf s PRO 70 Ca 0.10 2.02 0.08 0.00 0.04 0.00 0.00 61.00 63.25 2vpf s PRO 70 Cb -0.05 -3.16 -0.12 0.00 0.04 0.00 0.00 34.50 31.20 2vpf s PRO 70 CO 0.04 -0.11 0.23 0.25 0.04 0.00 0.00 177.00 177.45 2vpf n THR 71 N 1.74 0.00 -3.71 1.26 -2.24 0.71 -4.88 114.28 107.16 2vpf n THR 71 Ca 0.02 -0.22 -0.15 0.00 -2.27 0.00 0.00 64.05 61.43 2vpf n THR 71 Cb 0.43 0.49 -0.15 0.00 -2.10 0.00 0.00 70.33 69.00 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 -2.38 0.09 0.27 -0.78 2.12 -1.18 -4.98 118.70 111.86 2vpf s GLU 72 Ca -0.01 0.49 0.12 0.00 0.36 0.00 0.00 54.97 55.92 2vpf s GLU 72 Cb 0.06 -0.20 -0.05 0.00 0.26 0.00 0.00 34.13 34.20 2vpf s GLU 72 CO 0.35 -0.23 -0.20 -1.21 -0.54 0.00 0.00 175.26 173.44 2vpf s GLU 73 N 1.69 1.64 -0.15 4.30 2.02 -1.26 -0.38 118.70 126.56 2vpf s GLU 73 Ca -0.04 -1.74 -0.28 0.00 0.02 0.00 0.00 54.97 52.93 2vpf s GLU 73 Cb -0.12 -1.72 0.08 0.00 0.10 0.00 0.00 34.13 32.47 2vpf s GLU 73 CO -0.06 0.32 0.73 -1.54 0.02 0.00 0.00 175.26 174.73 2vpf s SER 74 N -3.45 -0.67 0.49 -0.19 1.04 -0.18 -4.88 113.70 105.87 2vpf s SER 74 Ca 0.29 0.98 -0.19 0.00 0.48 0.00 0.00 55.95 57.51 2vpf s SER 74 Cb -0.05 0.88 -0.08 0.00 0.10 0.00 0.00 66.02 66.87 2vpf s SER 74 CO 0.14 -0.44 1.00 0.20 0.98 0.00 0.00 173.24 175.12 2vpf s ASN 75 N -0.54 6.53 -0.02 7.02 -0.87 -1.26 -0.00 114.94 125.80 2vpf s ASN 75 Ca -0.06 1.72 0.02 0.00 -1.57 0.00 0.00 52.86 52.97 2vpf s ASN 75 Cb -0.02 -2.53 0.00 0.00 -0.02 0.00 0.00 41.25 38.68 2vpf s ASN 75 CO 0.05 -0.65 -0.06 -0.51 -2.57 0.00 0.00 177.10 173.36 2vpf s ILE 76 N -2.32 0.57 -0.14 0.60 2.07 0.20 -4.86 121.20 117.33 2vpf s ILE 76 Ca 0.62 -0.25 -0.02 0.00 -1.41 0.00 0.00 60.65 59.59 2vpf s ILE 76 Cb -0.12 -0.52 -0.03 0.00 0.13 0.00 0.00 42.46 41.93 2vpf s ILE 76 CO 0.24 0.19 -0.06 -0.89 -1.91 0.00 0.00 174.94 172.51 2vpf s THR 77 N 0.19 3.74 0.07 4.00 2.01 -1.26 -1.13 115.64 123.26 2vpf s THR 77 Ca -0.02 -0.42 0.04 0.00 0.31 0.00 0.00 61.69 61.60 2vpf s THR 77 Cb -0.07 -2.61 -0.03 0.00 0.01 0.00 0.00 72.50 69.80 2vpf s THR 77 CO -0.00 0.52 -0.12 -0.04 -0.69 0.00 0.00 174.62 174.28 2vpf s MET 78 N 0.15 0.75 -0.29 4.92 -1.94 -0.51 -4.95 119.30 117.43 2vpf s MET 78 Ca -0.02 -0.93 -0.25 0.00 -1.71 0.00 0.00 55.69 52.78 2vpf s MET 78 Cb -0.14 -0.67 0.00 0.00 2.01 0.00 0.00 34.83 36.04 2vpf s MET 78 CO 0.03 0.14 0.87 -0.65 -0.01 0.00 0.00 175.02 175.41 2vpf s GLN 79 N -1.80 4.04 0.01 2.03 -0.21 -1.26 -1.30 119.66 121.17 2vpf s GLN 79 Ca -0.03 0.81 0.08 0.00 0.02 0.00 0.00 55.36 56.23 2vpf s GLN 79 Cb -0.09 -3.71 -0.02 0.00 1.00 0.00 0.00 33.01 30.18 2vpf s GLN 79 CO 0.02 -0.70 -0.25 0.42 -2.12 0.00 0.00 175.29 172.66 2vpf s ILE 80 N 3.10 1.99 0.02 1.08 -1.09 -0.19 -4.91 121.20 121.19 2vpf s ILE 80 Ca 0.36 -1.18 -0.26 0.00 -2.23 0.00 0.00 60.65 57.35 2vpf s ILE 80 Cb -0.14 -1.67 -0.05 0.00 -1.58 0.00 0.00 42.46 39.02 2vpf s ILE 80 CO 0.12 0.46 0.80 -0.32 -1.23 0.00 0.00 174.94 174.77 2vpf s MET 81 N -0.84 4.51 -0.18 2.79 -2.45 0.40 -1.84 119.30 121.69 2vpf s MET 81 Ca 0.10 1.10 -0.05 0.00 -1.25 0.00 0.00 55.69 55.60 2vpf s MET 81 Cb -0.10 -3.40 -0.03 0.00 1.25 0.00 0.00 34.83 32.56 2vpf s MET 81 CO 0.00 0.17 -0.01 1.03 1.05 0.00 0.00 175.02 177.27 2vpf s ARG 82 N 0.33 3.70 -0.17 4.11 0.52 -0.23 -1.66 118.95 125.55 2vpf s ARG 82 Ca 0.41 -0.49 -0.02 0.00 -0.52 0.00 0.00 55.73 55.10 2vpf s ARG 82 Cb -0.20 -3.03 -0.02 0.00 0.52 0.00 0.00 34.95 32.22 2vpf s ARG 82 CO 0.23 0.15 -0.08 0.42 0.02 0.00 0.00 175.30 176.05 2vpf s ILE 83 N 0.63 3.36 -0.46 1.52 1.01 -0.29 -1.82 121.20 125.15 2vpf s ILE 83 Ca -0.01 -0.53 -0.00 0.00 0.00 0.00 0.00 60.65 60.11 2vpf s ILE 83 Cb -0.14 -2.47 0.12 0.00 0.01 0.00 0.00 42.46 39.98 2vpf s ILE 83 CO 0.02 0.48 0.23 -0.75 0.00 0.00 0.00 174.94 174.93 2vpf s LYS 84 N 0.76 2.01 -0.17 2.79 2.20 0.29 -1.15 119.74 126.47 2vpf s LYS 84 Ca -0.03 -2.15 -0.41 0.00 -0.36 0.00 0.00 55.97 53.02 2vpf s LYS 84 Cb -0.15 -3.48 -0.18 0.00 -1.51 0.00 0.00 37.83 32.51 2vpf s LYS 84 CO 0.02 -1.07 1.44 -2.30 -0.36 0.00 0.00 175.35 173.08 2vpf n PRO 85 N 3.99 0.59 -0.61 4.03 -0.02 -1.26 -0.22 135.00 141.49 2vpf n PRO 85 Ca 0.03 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 2vpf n PRO 85 Cb 0.39 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 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 3.37 0.00 0.00 6.00 8.25 -1.26 -4.78 115.22 126.80 2vpf n HIS 86 Ca 0.24 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.66 2vpf n HIS 86 Cb 0.09 -0.27 -0.01 0.00 1.12 0.00 0.00 29.99 30.92 2vpf n HIS 86 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 2vpf n GLN 87 N -2.00 0.12 -3.08 -0.41 7.27 0.69 -5.16 117.38 114.80 2vpf n GLN 87 Ca 0.00 0.05 0.00 0.00 0.07 0.00 0.00 57.00 57.12 2vpf n GLN 87 Cb 0.00 -0.70 0.00 0.00 2.41 0.00 0.00 30.24 31.95 2vpf n GLN 87 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2vpf n GLY 88 N 2.90 -1.24 3.23 1.69 0.00 -0.54 -5.02 105.19 106.20 2vpf n GLY 88 Ca -0.06 -1.02 -0.13 0.00 0.00 0.00 0.00 46.02 44.80 2vpf n GLY 88 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2vpf s GLN 89 N -1.86 0.60 -0.26 1.61 0.00 -1.26 -0.55 119.66 117.94 2vpf s GLN 89 Ca 0.00 -0.08 -0.25 0.00 -0.00 0.00 0.00 55.36 55.02 2vpf s GLN 89 Cb 0.00 0.27 0.08 0.00 0.00 0.00 0.00 33.01 33.36 2vpf s GLN 89 CO 0.00 -0.15 0.79 -1.58 0.00 0.00 0.00 175.29 174.34 2vpf s HIS 90 N -1.04 -0.71 -0.28 9.60 2.46 -0.75 -4.99 115.29 119.58 2vpf s HIS 90 Ca -0.11 1.70 -0.18 0.00 0.47 0.00 0.00 55.06 56.94 2vpf s HIS 90 Cb -0.05 0.30 -0.02 0.00 -0.13 0.00 0.00 32.58 32.68 2vpf s HIS 90 CO 0.03 -0.36 0.53 0.42 -2.47 0.00 0.00 174.74 172.89 2vpf s ILE 91 N 0.23 5.04 0.19 0.89 1.01 -1.26 -1.06 121.20 126.24 2vpf s ILE 91 Ca -0.00 0.79 -0.00 0.00 0.00 0.00 0.00 60.65 61.44 2vpf s ILE 91 Cb -0.05 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 2vpf s ILE 91 CO 0.00 0.01 0.10 -0.83 0.00 0.00 0.00 174.94 174.22 2vpf s GLY 92 N 1.59 1.38 0.15 6.18 0.00 -0.76 -4.91 107.32 110.94 2vpf s GLY 92 Ca 0.21 -1.67 -0.30 0.00 0.00 0.00 0.00 44.72 42.96 2vpf s GLY 92 CO 0.10 -1.44 0.98 -0.54 0.00 0.00 0.00 173.10 172.21 2vpf s GLU 93 N -4.09 4.71 -0.04 2.90 2.02 -1.26 -1.03 118.70 121.91 2vpf s GLU 93 Ca 0.34 1.51 0.03 0.00 0.02 0.00 0.00 54.97 56.87 2vpf s GLU 93 Cb 0.07 -3.34 0.01 0.00 0.10 0.00 0.00 34.13 30.97 2vpf s GLU 93 CO 0.09 0.25 -0.10 -1.64 0.02 0.00 0.00 175.26 173.88 2vpf s MET 94 N -0.31 1.23 0.01 1.61 -1.94 -0.42 -4.92 119.30 114.56 2vpf s MET 94 Ca 0.46 -0.35 0.01 0.00 -1.71 0.00 0.00 55.69 54.10 2vpf s MET 94 Cb -0.25 -1.10 -0.04 0.00 2.01 0.00 0.00 34.83 35.46 2vpf s MET 94 CO 0.31 0.09 0.03 -1.12 -0.01 0.00 0.00 175.02 174.33 2vpf s SER 95 N 0.36 5.34 0.09 3.03 0.01 -1.26 -1.42 113.70 119.84 2vpf s SER 95 Ca -0.07 0.03 0.04 0.00 1.31 0.00 0.00 55.95 57.27 2vpf s SER 95 Cb -0.11 -1.44 -0.03 0.00 0.21 0.00 0.00 66.02 64.64 2vpf s SER 95 CO 0.01 0.26 -0.12 -0.36 0.41 0.00 0.00 173.24 173.45 2vpf s PHE 96 N -1.16 1.12 -0.15 2.43 0.08 -0.29 -4.97 117.98 115.05 2vpf s PHE 96 Ca 0.22 -0.56 -0.18 0.00 0.12 0.00 0.00 56.93 56.52 2vpf s PHE 96 Cb -0.12 -0.62 -0.04 0.00 -0.57 0.00 0.00 43.02 41.68 2vpf s PHE 96 CO 0.13 0.03 0.48 -1.17 -0.10 0.00 0.00 175.22 174.59 2vpf s LEU 97 N -2.14 4.23 0.09 -0.37 2.96 -1.26 -0.62 118.68 121.56 2vpf s LEU 97 Ca 0.02 0.74 0.03 0.00 -0.22 0.00 0.00 54.13 54.71 2vpf s LEU 97 Cb -0.06 -2.68 -0.04 0.00 0.50 0.00 0.00 46.19 43.91 2vpf s LEU 97 CO 0.01 -0.06 0.08 -1.10 -1.32 0.00 0.00 176.35 173.97 2vpf s GLN 98 N 0.98 2.87 -0.25 1.98 -0.21 1.00 -4.89 119.66 121.13 2vpf s GLN 98 Ca 0.25 -0.72 -0.11 0.00 0.02 0.00 0.00 55.36 54.80 2vpf s GLN 98 Cb -0.15 -2.71 -0.05 0.00 1.00 0.00 0.00 33.01 31.10 2vpf s GLN 98 CO 0.10 0.55 0.17 -1.01 -2.12 0.00 0.00 175.29 172.98 2vpf s HIS 99 N -1.44 3.27 -0.12 0.91 3.76 0.53 -1.01 115.29 121.20 2vpf s HIS 99 Ca 0.29 0.17 0.19 0.00 -0.15 0.00 0.00 55.06 55.57 2vpf s HIS 99 Cb -0.12 -2.31 -0.23 0.00 1.11 0.00 0.00 32.58 31.03 2vpf s HIS 99 CO 0.22 -0.03 0.49 0.09 -0.85 0.00 0.00 174.74 174.66 2vpf n ASN 100 N 4.58 0.32 -3.68 1.40 4.13 0.49 -4.52 115.26 117.97 2vpf n ASN 100 Ca -0.15 0.14 -0.13 0.00 1.68 0.00 0.00 54.58 56.12 2vpf n ASN 100 Cb 0.52 1.03 -0.09 0.00 -1.54 0.00 0.00 39.78 39.70 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 -3.00 0.64 0.23 3.52 1.02 -1.20 -4.93 119.74 116.01 2vpf s LYS 101 Ca -0.07 0.81 0.06 0.00 0.02 0.00 0.00 55.97 56.79 2vpf s LYS 101 Cb 0.10 0.28 -0.05 0.00 -0.52 0.00 0.00 37.83 37.64 2vpf s LYS 101 CO 0.85 -0.09 -0.07 0.00 -0.92 0.00 0.00 175.35 175.12 2vpf s GLU 103 N -3.75 0.83 -0.25 0.00 2.02 -0.14 -4.83 118.70 112.59 2vpf s GLU 103 Ca 0.25 -0.09 -0.21 0.00 0.02 0.00 0.00 54.97 54.94 2vpf s GLU 103 Cb 0.03 0.38 -0.02 0.00 0.10 0.00 0.00 34.13 34.62 2vpf s GLU 103 CO 0.08 -0.25 0.66 0.00 0.02 0.00 0.00 175.26 175.77 2vpf s ARG 105 N 2.57 1.29 0.00 0.00 0.52 -0.02 -4.74 118.95 118.58 2vpf s ARG 105 Ca 0.28 -1.58 0.00 0.00 -0.52 0.00 0.00 55.73 53.91 2vpf s ARG 105 Cb -0.15 -1.03 0.00 0.00 0.52 0.00 0.00 34.95 34.28 2vpf s ARG 105 CO 0.08 0.16 0.08 -2.30 0.02 0.00 0.00 175.30 173.34