#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 4.21 -0.03 6.31 1.01 -1.26 -5.01 120.40 125.63 2vpf s VAL 14 Ca 0.00 1.91 -0.30 0.00 0.00 0.00 0.00 61.98 63.59 2vpf s VAL 14 Cb 0.00 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 2vpf s VAL 14 CO 0.00 0.33 1.17 -0.69 0.00 0.00 0.00 175.10 175.91 2vpf s VAL 15 N -0.26 4.29 0.52 2.92 1.01 -1.26 -5.00 120.40 122.61 2vpf s VAL 15 Ca 0.47 1.62 -0.20 0.00 0.00 0.00 0.00 61.98 63.87 2vpf s VAL 15 Cb -0.26 -4.04 -0.07 0.00 0.00 0.00 0.00 36.38 32.01 2vpf s VAL 15 CO 0.32 0.04 1.09 -0.54 0.00 0.00 0.00 175.10 176.01 2vpf s LYS 16 N 1.82 3.56 0.14 2.72 -0.14 -1.26 -4.84 119.74 121.74 2vpf s LYS 16 Ca 0.56 1.49 -0.27 0.00 -1.36 0.00 0.00 55.97 56.38 2vpf s LYS 16 Cb -0.25 -2.05 -0.02 0.00 -1.68 0.00 0.00 37.83 33.83 2vpf s LYS 16 CO 0.24 -0.65 1.59 0.35 -0.76 0.00 0.00 175.35 176.12 2vpf h PHE 17 N 1.35 -1.09 -0.98 3.18 3.57 -2.00 -1.46 116.94 119.50 2vpf h PHE 17 Ca -0.50 0.05 0.10 0.00 3.53 0.00 0.00 57.97 61.16 2vpf h PHE 17 Cb 1.24 0.51 -0.08 0.00 2.79 0.00 0.00 35.95 40.41 2vpf h PHE 17 CO 0.54 -0.44 0.62 1.98 -2.23 0.00 0.00 178.31 178.78 2vpf h MET 18 N -0.40 0.99 -0.25 1.11 4.05 -1.99 -1.82 114.93 116.62 2vpf h MET 18 Ca 0.11 -0.06 -0.09 0.00 -0.28 0.00 0.00 59.70 59.38 2vpf h MET 18 Cb 0.59 -0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 31.16 2vpf h MET 18 CO -0.45 0.65 -0.18 -0.44 0.23 0.00 0.00 176.91 176.73 2vpf h ASP 19 N 1.02 0.58 -0.31 1.39 3.32 -1.79 -1.82 116.42 118.81 2vpf h ASP 19 Ca 0.47 -0.44 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 2vpf h ASP 19 Cb 0.40 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 2vpf h ASP 19 CO -0.24 0.90 0.18 0.58 -1.72 0.00 0.00 179.24 178.94 2vpf h VAL 20 N 0.27 1.12 -0.22 -1.35 2.07 -1.12 -1.46 116.25 115.56 2vpf h VAL 20 Ca 0.05 -0.29 0.03 0.00 0.82 0.00 0.00 66.70 67.31 2vpf h VAL 20 Cb 0.71 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 2vpf h VAL 20 CO 0.05 0.12 0.03 0.22 0.02 0.00 0.00 177.57 178.00 2vpf h TYR 21 N 0.39 0.04 -0.64 1.57 3.20 -1.30 -1.72 116.97 118.51 2vpf h TYR 21 Ca 0.11 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.92 2vpf h TYR 21 Cb 0.03 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.29 2vpf h TYR 21 CO -0.04 -0.00 0.11 1.96 -1.64 0.00 0.00 178.16 178.55 2vpf h GLN 22 N 0.10 1.05 0.00 1.82 4.20 -1.26 -2.70 115.11 118.33 2vpf h GLN 22 Ca 0.10 -0.28 -0.07 0.00 0.06 0.00 0.00 58.65 58.46 2vpf h GLN 22 Cb 0.11 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 2vpf h GLN 22 CO -0.15 0.98 -0.34 0.00 -0.67 0.00 0.00 178.83 178.64 2vpf h ARG 23 N 0.97 0.00 0.00 1.46 3.08 -1.15 -3.25 114.38 115.49 2vpf h ARG 23 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 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 0.01 0.34 -0.90 -1.13 -1.07 0.00 0.00 179.97 177.22 2vpf n SER 24 N -3.70 0.74 -4.76 7.04 3.41 -0.66 -4.96 113.62 110.73 2vpf n SER 24 Ca -0.01 -0.59 -0.41 0.00 -0.26 0.00 0.00 58.87 57.60 2vpf n SER 24 Cb 0.44 0.79 -0.02 0.00 -0.26 0.00 0.00 64.21 65.15 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 -3.06 3.14 -0.12 7.33 5.04 -1.02 -1.63 117.35 127.02 2vpf s TYR 25 Ca 0.07 1.37 -0.11 0.00 -2.44 0.00 0.00 57.07 55.97 2vpf s TYR 25 Cb 0.16 -3.64 -0.05 0.00 0.35 0.00 0.00 41.96 38.78 2vpf s TYR 25 CO 0.81 -1.81 0.45 0.00 -1.34 0.00 0.00 175.55 173.65 2vpf s HIS 27 N 1.09 -0.24 0.06 0.00 -3.43 -0.58 -4.93 115.29 107.25 2vpf s HIS 27 Ca 0.27 0.02 -0.31 0.00 -0.80 0.00 0.00 55.06 54.24 2vpf s HIS 27 Cb -0.35 0.59 -0.07 0.00 -1.43 0.00 0.00 32.58 31.32 2vpf s HIS 27 CO 0.17 -0.68 1.44 -2.14 -2.00 0.00 0.00 174.74 171.53 2vpf s PRO 28 N -3.20 4.28 0.07 -0.38 0.02 -1.26 -0.24 135.00 134.30 2vpf s PRO 28 Ca 0.09 2.07 0.03 0.00 0.02 0.00 0.00 61.00 63.21 2vpf s PRO 28 Cb -0.01 -3.45 -0.03 0.00 0.02 0.00 0.00 34.50 31.03 2vpf s PRO 28 CO -0.03 -0.55 -0.10 -1.50 -0.33 0.00 0.00 177.00 174.49 2vpf s ILE 29 N 1.94 0.82 -0.10 2.83 2.07 0.14 -4.82 121.20 124.08 2vpf s ILE 29 Ca 0.66 -1.36 -0.29 0.00 -1.41 0.00 0.00 60.65 58.24 2vpf s ILE 29 Cb -0.35 -1.02 -0.05 0.00 0.13 0.00 0.00 42.46 41.17 2vpf s ILE 29 CO 0.29 -0.42 1.70 -0.70 -1.91 0.00 0.00 174.94 173.89 2vpf s GLU 30 N -2.12 4.02 -0.07 3.50 2.12 -1.26 -1.33 118.70 123.56 2vpf s GLU 30 Ca -0.02 2.08 0.03 0.00 0.36 0.00 0.00 54.97 57.43 2vpf s GLU 30 Cb -0.07 -4.03 0.00 0.00 0.26 0.00 0.00 34.13 30.29 2vpf s GLU 30 CO 0.00 -1.04 -0.18 0.99 -0.54 0.00 0.00 175.26 174.50 2vpf s THR 31 N 4.59 1.52 -0.40 -1.70 2.01 0.10 -4.95 115.64 116.82 2vpf s THR 31 Ca 0.76 -0.73 -0.21 0.00 0.31 0.00 0.00 61.69 61.82 2vpf s THR 31 Cb -0.32 -1.34 0.01 0.00 0.01 0.00 0.00 72.50 70.87 2vpf s THR 31 CO 0.31 0.44 0.68 -0.76 -0.69 0.00 0.00 174.62 174.60 2vpf s LEU 32 N 0.37 4.31 -0.13 4.42 2.01 -1.26 -1.02 118.68 127.37 2vpf s LEU 32 Ca -0.13 -0.03 -0.01 0.00 0.01 0.00 0.00 54.13 53.97 2vpf s LEU 32 Cb -0.15 -2.83 -0.02 0.00 0.01 0.00 0.00 46.19 43.20 2vpf s LEU 32 CO 0.05 -0.73 -0.09 -0.69 1.01 0.00 0.00 176.35 175.90 2vpf s VAL 33 N 2.90 3.41 0.08 -1.59 1.01 0.59 -4.89 120.40 121.92 2vpf s VAL 33 Ca 0.26 -0.54 -0.31 0.00 0.00 0.00 0.00 61.98 61.39 2vpf s VAL 33 Cb -0.14 -2.45 -0.07 0.00 0.00 0.00 0.00 36.38 33.71 2vpf s VAL 33 CO 0.18 0.52 1.44 -0.62 0.00 0.00 0.00 175.10 176.62 2vpf s ASP 34 N 0.26 6.79 0.09 3.32 2.15 -1.26 -1.41 116.67 126.61 2vpf s ASP 34 Ca -0.06 2.31 -0.20 0.00 0.43 0.00 0.00 52.55 55.02 2vpf s ASP 34 Cb -0.15 -2.58 -0.08 0.00 -0.30 0.00 0.00 42.92 39.81 2vpf s ASP 34 CO 0.04 -0.71 1.63 0.40 -0.17 0.00 0.00 175.17 176.36 2vpf h ILE 35 N 4.50 1.17 -0.75 4.11 2.04 -1.61 -3.05 117.51 123.92 2vpf h ILE 35 Ca -0.41 -0.53 0.14 0.00 1.00 0.00 0.00 64.86 65.07 2vpf h ILE 35 Cb 1.20 1.12 -0.05 0.00 -0.74 0.00 0.00 36.82 38.35 2vpf h ILE 35 CO 0.89 0.17 0.50 0.15 0.00 0.00 0.00 178.15 179.86 2vpf h PHE 36 N 0.19 0.50 -0.26 1.37 3.57 -1.82 0.22 116.94 120.71 2vpf h PHE 36 Ca 0.07 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.52 2vpf h PHE 36 Cb 0.19 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 2vpf h PHE 36 CO -0.01 0.20 -0.12 1.96 -2.23 0.00 0.00 178.31 178.11 2vpf h GLN 37 N 0.43 0.43 0.00 1.11 4.20 -1.93 -2.07 115.11 117.29 2vpf h GLN 37 Ca 0.37 -0.12 -0.13 0.00 0.06 0.00 0.00 58.65 58.82 2vpf h GLN 37 Cb 0.81 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.52 2vpf h GLN 37 CO -0.12 0.56 -0.64 0.93 -0.67 0.00 0.00 178.83 178.89 2vpf h GLU 38 N 0.40 0.00 -2.24 1.46 4.39 -0.63 -3.39 114.58 114.57 2vpf h GLU 38 Ca 0.08 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.20 2vpf h GLU 38 Cb 0.46 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.71 2vpf h GLU 38 CO 0.03 0.64 -0.93 0.66 -1.16 0.00 0.00 179.01 178.25 2vpf n TYR 39 N -3.29 0.57 1.43 4.33 4.02 -0.46 -4.98 117.16 118.78 2vpf n TYR 39 Ca 0.01 -3.68 0.14 0.00 -0.01 0.00 0.00 57.90 54.36 2vpf n TYR 39 Cb 0.78 -0.25 0.74 0.00 -0.02 0.00 0.00 39.34 40.58 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 1.74 0.51 0.18 -0.72 -0.04 -0.80 -3.42 135.00 132.46 2vpf n PRO 40 Ca 0.25 0.02 0.11 0.00 -0.04 0.00 0.00 63.50 63.83 2vpf n PRO 40 Cb 0.48 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.55 2vpf n PRO 40 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2vpf h ASP 41 N 0.00 0.00 -1.34 3.54 3.32 -1.94 -3.36 116.42 116.65 2vpf h ASP 41 Ca 0.00 0.00 -0.71 0.00 0.02 0.00 0.00 57.03 56.34 2vpf h ASP 41 Cb 0.20 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 39.59 2vpf h ASP 41 CO 0.00 0.07 1.82 -0.62 -1.72 0.00 0.00 179.24 178.79 2vpf n GLU 42 N -3.03 4.31 0.21 3.56 -0.58 -1.22 -4.76 120.64 119.14 2vpf n GLU 42 Ca 0.03 -3.47 0.08 0.00 -0.42 0.00 0.00 57.16 53.37 2vpf n GLU 42 Cb 0.56 -2.51 0.41 0.00 -0.57 0.00 0.00 31.44 29.33 2vpf n GLU 42 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2vpf h ILE 43 N 2.42 0.73 0.00 -3.67 5.03 -1.86 -3.07 117.51 117.09 2vpf h ILE 43 Ca 0.62 -1.28 0.00 0.00 -0.12 0.00 0.00 64.86 64.08 2vpf h ILE 43 Cb 0.36 1.82 0.00 0.00 -3.03 0.00 0.00 36.82 35.97 2vpf h ILE 43 CO 1.33 0.29 -0.18 -1.84 -0.68 0.00 0.00 178.15 177.06 2vpf n GLU 44 N -3.50 0.18 -3.88 2.37 0.28 -1.26 -4.87 120.64 109.97 2vpf n GLU 44 Ca -0.00 0.11 -0.31 0.00 -0.16 0.00 0.00 57.16 56.80 2vpf n GLU 44 Cb 0.46 -1.68 -0.04 0.00 1.43 0.00 0.00 31.44 31.61 2vpf n GLU 44 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 2vpf s TYR 45 N -3.08 3.51 -0.21 -1.84 1.51 -1.16 -4.66 117.35 111.42 2vpf s TYR 45 Ca 0.11 0.30 -0.06 0.00 -1.01 0.00 0.00 57.07 56.40 2vpf s TYR 45 Cb 0.15 -1.80 -0.03 0.00 -0.11 0.00 0.00 41.96 40.16 2vpf s TYR 45 CO 0.62 0.56 0.04 0.42 -1.11 0.00 0.00 175.55 176.08 2vpf s ILE 46 N -1.54 4.34 -0.01 2.71 1.01 0.10 -4.91 121.20 122.90 2vpf s ILE 46 Ca 0.36 -0.18 -0.15 0.00 0.00 0.00 0.00 60.65 60.68 2vpf s ILE 46 Cb -0.13 -2.98 -0.06 0.00 0.01 0.00 0.00 42.46 39.31 2vpf s ILE 46 CO 0.27 0.41 0.42 -0.36 0.00 0.00 0.00 174.94 175.68 2vpf s PHE 47 N 0.96 3.71 -0.06 3.97 0.08 -1.26 -0.36 117.98 125.03 2vpf s PHE 47 Ca 0.03 0.99 -0.00 0.00 0.12 0.00 0.00 56.93 58.06 2vpf s PHE 47 Cb -0.14 -2.31 0.03 0.00 -0.57 0.00 0.00 43.02 40.02 2vpf s PHE 47 CO 0.02 0.60 -0.01 0.21 -0.10 0.00 0.00 175.22 175.95 2vpf s LYS 48 N -0.93 0.60 0.88 0.44 2.20 -0.06 -2.94 119.74 119.94 2vpf s LYS 48 Ca 0.24 0.05 -0.10 0.00 -0.36 0.00 0.00 55.97 55.80 2vpf s LYS 48 Cb -0.17 -0.85 0.12 0.00 -1.51 0.00 0.00 37.83 35.43 2vpf s LYS 48 CO 0.13 -0.22 1.12 -1.25 -0.36 0.00 0.00 175.35 174.78 2vpf s PRO 49 N 1.53 1.32 0.42 4.03 0.04 -1.26 -0.65 135.00 140.44 2vpf s PRO 49 Ca -0.02 1.38 0.23 0.00 0.04 0.00 0.00 61.00 62.64 2vpf s PRO 49 Cb -0.13 -1.77 0.40 0.00 0.04 0.00 0.00 34.50 33.03 2vpf s PRO 49 CO -0.03 -2.37 1.63 0.66 0.04 0.00 0.00 177.00 176.93 2vpf h SER 50 N -1.67 0.00 -3.58 6.66 4.64 -1.94 -3.46 113.55 114.20 2vpf h SER 50 Ca -0.44 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.48 2vpf h SER 50 Cb 1.26 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.21 2vpf h SER 50 CO 0.45 0.00 -0.71 0.00 -0.87 0.00 0.00 176.83 175.70 2vpf s VAL 52 N -3.19 0.84 -0.24 0.00 -7.23 -0.50 -4.90 120.40 105.18 2vpf s VAL 52 Ca 0.22 -1.38 -0.26 0.00 -1.81 0.00 0.00 61.98 58.74 2vpf s VAL 52 Cb 0.02 -1.05 0.00 0.00 0.56 0.00 0.00 36.38 35.91 2vpf s VAL 52 CO 0.05 -0.43 0.91 -2.16 -0.31 0.00 0.00 175.10 173.16 2vpf s PRO 53 N -2.18 4.21 0.02 4.82 0.04 -1.26 -0.30 135.00 140.36 2vpf s PRO 53 Ca -0.01 1.09 0.04 0.00 0.04 0.00 0.00 61.00 62.16 2vpf s PRO 53 Cb -0.07 -3.64 -0.02 0.00 0.04 0.00 0.00 34.50 30.81 2vpf s PRO 53 CO 0.00 -0.56 -0.11 -0.51 0.04 0.00 0.00 177.00 175.86 2vpf s LEU 54 N 2.98 2.13 -0.18 -3.56 1.43 -0.19 -4.93 118.68 116.36 2vpf s LEU 54 Ca 0.38 -0.37 -0.29 0.00 -1.03 0.00 0.00 54.13 52.82 2vpf s LEU 54 Cb -0.15 -0.49 -0.01 0.00 0.03 0.00 0.00 46.19 45.57 2vpf s LEU 54 CO 0.07 0.02 1.30 -0.04 0.23 0.00 0.00 176.35 177.94 2vpf s MET 55 N -0.89 4.16 0.02 1.70 -1.94 -1.26 0.01 119.30 121.11 2vpf s MET 55 Ca 0.00 1.62 0.00 0.00 -1.71 0.00 0.00 55.69 55.61 2vpf s MET 55 Cb -0.07 -3.81 -0.02 0.00 2.01 0.00 0.00 34.83 32.95 2vpf s MET 55 CO 0.01 -0.80 -0.03 1.03 -0.01 0.00 0.00 175.02 175.21 2vpf s ARG 56 N 3.68 0.31 0.21 2.03 1.81 -0.45 -1.28 118.95 125.27 2vpf s ARG 56 Ca 0.57 -0.56 -0.31 0.00 -1.72 0.00 0.00 55.73 53.70 2vpf s ARG 56 Cb -0.22 0.02 -0.11 0.00 -0.45 0.00 0.00 34.95 34.20 2vpf s ARG 56 CO 0.17 -0.03 1.64 0.00 -0.68 0.00 0.00 175.30 176.41 2vpf s GLY 58 N 1.02 1.23 0.00 0.00 0.00 0.67 -4.81 107.32 105.42 2vpf s GLY 58 Ca 0.71 -1.35 0.00 0.00 0.00 0.00 0.00 44.72 44.07 2vpf s GLY 58 CO 0.35 -0.90 0.00 0.61 0.00 0.00 0.00 173.10 173.16 2vpf n GLY 59 N -0.51 -1.74 3.33 0.20 0.00 -1.26 -1.53 105.19 103.68 2vpf n GLY 59 Ca -0.00 -1.99 -0.18 0.00 0.00 0.00 0.00 46.02 43.85 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 -0.63 -2.24 -3.16 0.00 3.02 -1.26 -4.97 115.26 106.02 2vpf n ASN 62 Ca 0.06 -0.80 0.04 0.00 -0.03 0.00 0.00 54.58 53.86 2vpf n ASN 62 Cb 0.33 -4.28 -0.03 0.00 -0.61 0.00 0.00 39.78 35.18 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 -4.18 -0.02 0.20 6.41 -1.08 -1.26 -5.06 116.67 111.67 2vpf s ASP 63 Ca 0.09 0.03 0.21 0.00 -0.52 0.00 0.00 52.55 52.36 2vpf s ASP 63 Cb -0.02 1.02 0.90 0.00 -1.46 0.00 0.00 42.92 43.36 2vpf s ASP 63 CO 0.80 -0.00 1.65 -0.62 0.52 0.00 0.00 175.17 177.51 2vpf n GLU 64 N 4.77 0.15 0.00 4.34 1.02 -1.26 -1.63 120.64 128.03 2vpf n GLU 64 Ca -0.07 0.39 0.14 0.00 -0.02 0.00 0.00 57.16 57.60 2vpf n GLU 64 Cb 0.56 -1.79 0.56 0.00 -0.02 0.00 0.00 31.44 30.75 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 -0.04 -0.45 3.65 0.62 0.00 -1.26 -4.91 105.19 102.80 2vpf n GLY 65 Ca 0.02 -0.37 -0.24 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.21 3.24 0.03 0.99 1.43 -0.65 -1.34 118.68 120.18 2vpf s LEU 66 Ca 0.34 -0.54 -0.00 0.00 -1.03 0.00 0.00 54.13 52.90 2vpf s LEU 66 Cb 0.21 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 44.58 2vpf s LEU 66 CO 0.41 0.04 -0.03 -1.83 0.23 0.00 0.00 176.35 175.16 2vpf s GLU 67 N -3.37 0.43 -0.37 1.70 -1.05 -0.06 -4.83 118.70 111.14 2vpf s GLU 67 Ca 0.30 -0.83 -0.18 0.00 -0.15 0.00 0.00 54.97 54.10 2vpf s GLU 67 Cb -0.08 0.11 0.00 0.00 -0.44 0.00 0.00 34.13 33.73 2vpf s GLU 67 CO 0.19 -0.06 0.53 0.00 0.95 0.00 0.00 175.26 176.87 2vpf s VAL 69 N 2.44 0.99 0.34 0.00 -7.23 -0.54 -4.89 120.40 111.51 2vpf s VAL 69 Ca 0.19 -1.63 -0.27 0.00 -1.81 0.00 0.00 61.98 58.45 2vpf s VAL 69 Cb -0.15 -1.36 -0.09 0.00 0.56 0.00 0.00 36.38 35.34 2vpf s VAL 69 CO 0.14 -0.53 1.14 -2.16 -0.31 0.00 0.00 175.10 173.39 2vpf s PRO 70 N -2.72 4.36 -0.00 4.82 0.04 -1.26 -0.49 135.00 139.75 2vpf s PRO 70 Ca 0.05 1.83 0.04 0.00 0.04 0.00 0.00 61.00 62.97 2vpf s PRO 70 Cb -0.03 -2.93 -0.05 0.00 0.04 0.00 0.00 34.50 31.52 2vpf s PRO 70 CO 0.00 -0.05 0.15 0.25 0.04 0.00 0.00 177.00 177.40 2vpf n THR 71 N 0.64 0.00 -3.68 1.26 -2.24 -0.01 -4.81 114.28 105.44 2vpf n THR 71 Ca 0.01 -0.30 -0.18 0.00 -2.27 0.00 0.00 64.05 61.32 2vpf n THR 71 Cb 0.45 0.80 -0.16 0.00 -2.10 0.00 0.00 70.33 69.33 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 -1.70 -0.01 0.26 -0.78 2.12 -1.15 -4.97 118.70 112.48 2vpf s GLU 72 Ca 0.01 0.46 0.09 0.00 0.36 0.00 0.00 54.97 55.89 2vpf s GLU 72 Cb 0.03 -0.35 -0.05 0.00 0.26 0.00 0.00 34.13 34.02 2vpf s GLU 72 CO 0.18 -0.30 -0.13 -1.21 -0.54 0.00 0.00 175.26 173.26 2vpf s GLU 73 N 2.09 1.55 0.25 4.30 2.02 -1.26 -0.45 118.70 127.20 2vpf s GLU 73 Ca 0.02 -1.74 -0.12 0.00 0.02 0.00 0.00 54.97 53.16 2vpf s GLU 73 Cb -0.12 -1.38 -0.00 0.00 0.10 0.00 0.00 34.13 32.73 2vpf s GLU 73 CO -0.05 0.18 0.47 -1.54 0.02 0.00 0.00 175.26 174.34 2vpf s SER 74 N -3.44 -0.04 0.23 -0.19 1.04 -0.22 -4.86 113.70 106.22 2vpf s SER 74 Ca 0.28 -0.97 0.09 0.00 0.48 0.00 0.00 55.95 55.82 2vpf s SER 74 Cb -0.00 0.59 -0.04 0.00 0.10 0.00 0.00 66.02 66.66 2vpf s SER 74 CO 0.12 -1.15 -0.03 0.20 0.98 0.00 0.00 173.24 173.36 2vpf s ASN 75 N -3.03 4.49 -0.07 7.02 0.02 -1.26 -0.17 114.94 121.94 2vpf s ASN 75 Ca 0.23 -0.60 -0.05 0.00 -1.02 0.00 0.00 52.86 51.42 2vpf s ASN 75 Cb -0.00 -0.83 0.02 0.00 0.02 0.00 0.00 41.25 40.46 2vpf s ASN 75 CO 0.10 0.04 0.17 -0.51 0.02 0.00 0.00 177.10 176.92 2vpf s ILE 76 N -2.09 -0.01 -0.12 0.60 2.07 -0.20 -4.88 121.20 116.57 2vpf s ILE 76 Ca 0.29 0.04 -0.02 0.00 -1.41 0.00 0.00 60.65 59.55 2vpf s ILE 76 Cb -0.07 -0.25 -0.03 0.00 0.13 0.00 0.00 42.46 42.24 2vpf s ILE 76 CO 0.18 0.01 -0.05 -0.89 -1.91 0.00 0.00 174.94 172.29 2vpf s THR 77 N 0.33 3.85 0.06 4.00 2.01 -1.26 -0.48 115.64 124.16 2vpf s THR 77 Ca -0.02 -0.39 0.02 0.00 0.31 0.00 0.00 61.69 61.61 2vpf s THR 77 Cb -0.03 -2.65 -0.03 0.00 0.01 0.00 0.00 72.50 69.80 2vpf s THR 77 CO -0.01 0.54 -0.08 -0.04 -0.69 0.00 0.00 174.62 174.33 2vpf s MET 78 N -0.11 0.63 -0.40 4.92 -1.94 -0.60 -4.97 119.30 116.84 2vpf s MET 78 Ca 0.02 -0.92 -0.24 0.00 -1.71 0.00 0.00 55.69 52.84 2vpf s MET 78 Cb -0.13 -0.31 0.02 0.00 2.01 0.00 0.00 34.83 36.42 2vpf s MET 78 CO 0.03 0.04 0.83 -0.65 -0.01 0.00 0.00 175.02 175.25 2vpf s GLN 79 N -2.17 3.65 -0.04 2.03 -0.21 -1.26 -1.51 119.66 120.15 2vpf s GLN 79 Ca -0.04 0.22 0.05 0.00 0.02 0.00 0.00 55.36 55.61 2vpf s GLN 79 Cb -0.06 -3.86 -0.01 0.00 1.00 0.00 0.00 33.01 30.09 2vpf s GLN 79 CO -0.01 -0.99 -0.17 0.42 -2.12 0.00 0.00 175.29 172.42 2vpf s ILE 80 N 3.31 1.44 0.25 1.08 -1.09 -0.31 -4.91 121.20 120.98 2vpf s ILE 80 Ca 0.33 -0.73 -0.28 0.00 -2.23 0.00 0.00 60.65 57.74 2vpf s ILE 80 Cb -0.12 -1.23 -0.09 0.00 -1.58 0.00 0.00 42.46 39.44 2vpf s ILE 80 CO 0.20 0.41 0.91 -0.32 -1.23 0.00 0.00 174.94 174.91 2vpf s MET 81 N -0.05 4.71 -0.12 2.79 1.75 0.18 -1.81 119.30 126.75 2vpf s MET 81 Ca -0.02 1.37 0.01 0.00 -1.25 0.00 0.00 55.69 55.80 2vpf s MET 81 Cb -0.11 -3.11 0.02 0.00 2.84 0.00 0.00 34.83 34.47 2vpf s MET 81 CO 0.02 0.45 -0.13 0.50 -0.65 0.00 0.00 175.02 175.20 2vpf s ARG 82 N -1.48 2.10 0.00 4.11 3.52 -0.43 -0.88 118.95 125.89 2vpf s ARG 82 Ca 0.43 -0.50 0.04 0.00 -0.13 0.00 0.00 55.73 55.58 2vpf s ARG 82 Cb -0.23 -1.89 -0.01 0.00 -1.56 0.00 0.00 34.95 31.26 2vpf s ARG 82 CO 0.28 -0.16 -0.13 0.42 -0.81 0.00 0.00 175.30 174.90 2vpf s ILE 83 N 1.29 1.01 -0.17 4.11 1.09 0.52 -1.70 121.20 127.35 2vpf s ILE 83 Ca -0.01 -0.64 -0.05 0.00 -1.10 0.00 0.00 60.65 58.86 2vpf s ILE 83 Cb -0.14 -0.86 -0.03 0.00 -1.06 0.00 0.00 42.46 40.37 2vpf s ILE 83 CO -0.06 0.22 -0.00 -0.54 -0.10 0.00 0.00 174.94 174.45 2vpf s LYS 84 N -0.48 3.76 0.15 2.79 1.02 -1.26 0.02 119.74 125.74 2vpf s LYS 84 Ca 0.04 -0.47 -0.32 0.00 0.02 0.00 0.00 55.97 55.24 2vpf s LYS 84 Cb -0.06 -3.02 -0.17 0.00 -0.52 0.00 0.00 37.83 34.06 2vpf s LYS 84 CO -0.00 0.23 0.88 -2.30 -0.92 0.00 0.00 175.35 173.24 2vpf n PRO 85 N 3.60 0.46 -0.90 -1.68 -0.02 -1.26 -1.09 135.00 134.11 2vpf n PRO 85 Ca -0.17 0.16 -0.01 0.00 -2.02 0.00 0.00 63.50 61.46 2vpf n PRO 85 Cb 0.52 -1.46 -0.00 0.00 -0.02 0.00 0.00 33.50 32.54 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 0.79 -0.01 -2.66 6.00 8.25 -1.26 -4.92 115.22 121.42 2vpf n HIS 86 Ca 0.17 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.44 2vpf n HIS 86 Cb 0.22 -1.86 0.01 0.00 1.12 0.00 0.00 29.99 29.47 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 0.74 2.26 -0.91 -0.41 6.02 -0.25 -5.13 117.38 119.70 2vpf n GLN 87 Ca -0.01 -3.93 0.00 0.00 -0.01 0.00 0.00 57.00 53.05 2vpf n GLN 87 Cb 0.44 -1.79 0.00 0.00 1.02 0.00 0.00 30.24 29.91 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 -0.22 -3.57 3.78 1.08 0.00 -1.26 -4.69 105.19 100.30 2vpf n GLY 88 Ca 0.25 -0.61 -0.38 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.31 4.60 0.08 1.61 -2.07 -1.26 -4.58 119.66 115.73 2vpf s GLN 89 Ca 0.00 1.31 0.03 0.00 -1.82 0.00 0.00 55.36 54.88 2vpf s GLN 89 Cb 0.00 -2.91 -0.04 0.00 -1.09 0.00 0.00 33.01 28.97 2vpf s GLN 89 CO 0.00 0.35 0.06 -1.01 -1.32 0.00 0.00 175.29 173.37 2vpf s HIS 90 N -1.51 3.14 -0.09 9.60 3.76 -0.69 -4.99 115.29 124.51 2vpf s HIS 90 Ca 0.47 0.05 0.04 0.00 -0.15 0.00 0.00 55.06 55.47 2vpf s HIS 90 Cb -0.20 -1.60 0.00 0.00 1.11 0.00 0.00 32.58 31.90 2vpf s HIS 90 CO 0.25 0.51 -0.21 -1.50 -0.85 0.00 0.00 174.74 172.94 2vpf s ILE 91 N -1.38 1.83 0.12 0.60 2.07 -1.26 -1.32 121.20 121.86 2vpf s ILE 91 Ca 0.29 -0.88 -0.01 0.00 -1.41 0.00 0.00 60.65 58.63 2vpf s ILE 91 Cb -0.12 -1.60 0.01 0.00 0.13 0.00 0.00 42.46 40.88 2vpf s ILE 91 CO 0.21 0.51 0.17 0.61 -1.91 0.00 0.00 174.94 174.53 2vpf n GLY 92 N 3.61 2.64 3.80 1.50 0.00 -0.75 -5.00 105.19 111.00 2vpf n GLY 92 Ca -0.20 -1.40 -0.34 0.00 0.00 0.00 0.00 46.02 44.08 2vpf n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2vpf s GLU 93 N -2.22 3.17 -0.00 1.61 2.02 -1.26 -1.16 118.70 120.86 2vpf s GLU 93 Ca 0.09 -0.39 0.00 0.00 0.02 0.00 0.00 54.97 54.69 2vpf s GLU 93 Cb -0.00 -2.94 0.00 0.00 0.10 0.00 0.00 34.13 31.29 2vpf s GLU 93 CO 0.06 0.68 0.00 -1.64 0.02 0.00 0.00 175.26 174.39 2vpf s MET 94 N -1.51 0.00 -0.12 1.61 -1.94 -0.57 -4.94 119.30 111.84 2vpf s MET 94 Ca 0.21 0.02 -0.07 0.00 -1.71 0.00 0.00 55.69 54.14 2vpf s MET 94 Cb -0.12 -0.03 -0.04 0.00 2.01 0.00 0.00 34.83 36.65 2vpf s MET 94 CO 0.11 -0.02 0.13 -1.12 -0.01 0.00 0.00 175.02 174.12 2vpf s SER 95 N 0.11 6.31 0.07 3.03 0.01 -1.26 -1.56 113.70 120.41 2vpf s SER 95 Ca -0.01 0.45 0.05 0.00 1.31 0.00 0.00 55.95 57.74 2vpf s SER 95 Cb -0.01 -2.03 -0.03 0.00 0.21 0.00 0.00 66.02 64.16 2vpf s SER 95 CO -0.00 0.40 -0.13 -0.36 0.41 0.00 0.00 173.24 173.56 2vpf s PHE 96 N -1.00 1.16 -0.01 2.43 0.08 0.37 -4.96 117.98 116.06 2vpf s PHE 96 Ca 0.15 -0.48 -0.25 0.00 0.12 0.00 0.00 56.93 56.47 2vpf s PHE 96 Cb -0.12 -0.65 -0.04 0.00 -0.57 0.00 0.00 43.02 41.64 2vpf s PHE 96 CO 0.04 0.04 0.77 -1.17 -0.10 0.00 0.00 175.22 174.80 2vpf s LEU 97 N -1.80 4.39 0.24 -0.37 2.96 -1.26 -1.03 118.68 121.80 2vpf s LEU 97 Ca -0.02 1.38 0.09 0.00 -0.22 0.00 0.00 54.13 55.36 2vpf s LEU 97 Cb -0.09 -3.22 -0.04 0.00 0.50 0.00 0.00 46.19 43.33 2vpf s LEU 97 CO 0.02 -0.08 -0.01 -1.10 -1.32 0.00 0.00 176.35 173.86 2vpf s GLN 98 N 0.44 2.29 -0.27 1.98 -0.21 0.77 -4.87 119.66 119.78 2vpf s GLN 98 Ca 0.40 -1.35 -0.06 0.00 0.02 0.00 0.00 55.36 54.37 2vpf s GLN 98 Cb -0.19 -2.20 0.00 0.00 1.00 0.00 0.00 33.01 31.62 2vpf s GLN 98 CO 0.22 0.39 0.05 -1.01 -2.12 0.00 0.00 175.29 172.82 2vpf s HIS 99 N -2.16 3.10 -0.14 0.91 3.76 -0.41 -1.06 115.29 119.31 2vpf s HIS 99 Ca 0.30 -0.91 0.19 0.00 -0.15 0.00 0.00 55.06 54.49 2vpf s HIS 99 Cb -0.07 -2.22 -0.15 0.00 1.11 0.00 0.00 32.58 31.25 2vpf s HIS 99 CO 0.19 -0.54 0.73 0.09 -0.85 0.00 0.00 174.74 174.36 2vpf n ASN 100 N 4.85 0.65 -3.75 1.40 4.13 0.40 -4.56 115.26 118.38 2vpf n ASN 100 Ca -0.15 0.28 -0.13 0.00 1.68 0.00 0.00 54.58 56.25 2vpf n ASN 100 Cb 0.49 0.56 -0.08 0.00 -1.54 0.00 0.00 39.78 39.20 2vpf n ASN 100 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 2vpf s LYS 101 N -3.04 0.70 0.15 3.52 2.47 -1.17 -4.90 119.74 117.46 2vpf s LYS 101 Ca -0.04 -0.20 0.01 0.00 -1.56 0.00 0.00 55.97 54.18 2vpf s LYS 101 Cb 0.09 0.31 -0.04 0.00 -1.46 0.00 0.00 37.83 36.73 2vpf s LYS 101 CO 0.82 -0.20 0.01 0.00 0.16 0.00 0.00 175.35 176.15 2vpf s GLU 103 N -3.94 0.72 -0.29 0.00 -1.05 0.36 -4.79 118.70 109.70 2vpf s GLU 103 Ca 0.22 -1.04 -0.14 0.00 -0.15 0.00 0.00 54.97 53.86 2vpf s GLU 103 Cb 0.06 0.28 -0.03 0.00 -0.44 0.00 0.00 34.13 34.00 2vpf s GLU 103 CO 0.02 -0.19 0.33 0.00 0.95 0.00 0.00 175.26 176.37 2vpf s ARG 105 N 1.99 0.97 0.32 0.00 1.70 -0.63 -4.85 118.95 118.44 2vpf s ARG 105 Ca 0.12 -1.37 -0.29 0.00 -0.47 0.00 0.00 55.73 53.72 2vpf s ARG 105 Cb -0.16 -0.49 -0.12 0.00 -0.57 0.00 0.00 34.95 33.60 2vpf s ARG 105 CO 0.11 0.05 1.36 -2.30 -1.08 0.00 0.00 175.30 173.44 2vpf n PRO 106 N -0.04 2.21 0.16 3.89 -0.02 -1.26 -0.88 135.00 139.06 2vpf n PRO 106 Ca -0.12 0.78 0.02 0.00 -2.02 0.00 0.00 63.50 62.16 2vpf n PRO 106 Cb 0.60 -2.41 0.34 0.00 -0.02 0.00 0.00 33.50 32.01 2vpf n PRO 106 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2vpf h LYS 107 N 3.16 0.09 0.00 -0.52 1.57 -1.53 -3.45 116.57 115.89 2vpf h LYS 107 Ca -0.46 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 2vpf h LYS 107 Cb 1.27 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.58 2vpf h LYS 107 CO 0.67 0.41 0.00 0.36 -0.57 0.00 0.00 179.45 180.32