#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mbv s LEU 22 N 0.00 2.84 0.01 0.00 2.34 -1.26 -5.16 118.68 117.46 1mbv s LEU 22 Ca 0.00 -0.60 -0.02 0.00 0.06 0.00 0.00 54.13 53.56 1mbv s LEU 22 Cb 0.00 -1.58 -0.01 0.00 -0.56 0.00 0.00 46.19 44.04 1mbv s LEU 22 CO 0.00 0.13 0.03 -0.54 -1.06 0.00 0.00 176.35 174.90 1mbv s LYS 23 N -2.62 0.34 0.67 1.48 1.02 -1.26 -5.13 119.74 114.23 1mbv s LYS 23 Ca 0.23 -0.49 -0.16 0.00 0.02 0.00 0.00 55.97 55.56 1mbv s LYS 23 Cb -0.09 0.13 0.00 0.00 -0.52 0.00 0.00 37.83 37.35 1mbv s LYS 23 CO 0.13 -0.07 1.16 -2.14 -0.92 0.00 0.00 175.35 173.52 1mbv s PRO 24 N -1.32 2.63 0.29 -1.68 0.02 -1.26 -4.90 135.00 128.78 1mbv s PRO 24 Ca -0.14 1.60 -0.30 0.00 0.02 0.00 0.00 61.00 62.18 1mbv s PRO 24 Cb -0.09 -1.91 -0.12 0.00 0.02 0.00 0.00 34.50 32.41 1mbv s PRO 24 CO -0.00 -1.42 1.58 -0.35 -0.33 0.00 0.00 177.00 176.48 1mbv n PRO 25 N -2.32 2.65 -0.50 5.54 -0.04 -1.26 -4.98 135.00 134.09 1mbv n PRO 25 Ca 0.12 0.94 -0.22 0.00 -0.04 0.00 0.00 63.50 64.30 1mbv n PRO 25 Cb 0.51 -2.72 0.18 0.00 -0.04 0.00 0.00 33.50 31.43 1mbv n PRO 25 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1mbv n SER 26 N 2.20 -3.08 -4.56 3.54 7.64 -1.26 -4.84 113.62 113.26 1mbv n SER 26 Ca 0.09 -0.43 -0.30 0.00 1.01 0.00 0.00 58.87 59.24 1mbv n SER 26 Cb 0.36 -0.84 -0.10 0.00 -1.01 0.00 0.00 64.21 62.62 1mbv n SER 26 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1mbv s MET 27 N -3.74 2.12 -0.01 1.43 -1.94 -1.26 -3.61 119.30 112.29 1mbv s MET 27 Ca 0.45 -1.01 0.07 0.00 -1.71 0.00 0.00 55.69 53.49 1mbv s MET 27 Cb -0.08 -2.29 -0.02 0.00 2.01 0.00 0.00 34.83 34.45 1mbv s MET 27 CO 0.43 0.52 -0.24 0.71 -0.01 0.00 0.00 175.02 176.43 1mbv s TYR 28 N -1.16 2.41 0.16 -0.03 1.51 0.36 0.32 117.35 120.92 1mbv s TYR 28 Ca 0.20 -0.38 -0.26 0.00 -1.01 0.00 0.00 57.07 55.62 1mbv s TYR 28 Cb -0.11 -1.51 -0.08 0.00 -0.11 0.00 0.00 41.96 40.16 1mbv s TYR 28 CO 0.12 0.04 0.81 0.15 -1.11 0.00 0.00 175.55 175.55 1mbv s LYS 29 N -0.75 4.61 -0.31 -0.62 1.02 0.14 -0.51 119.74 123.31 1mbv s LYS 29 Ca 0.11 1.21 -0.06 0.00 0.02 0.00 0.00 55.97 57.25 1mbv s LYS 29 Cb -0.10 -3.28 0.03 0.00 -0.52 0.00 0.00 37.83 33.95 1mbv s LYS 29 CO -0.00 0.51 0.08 0.08 -0.92 0.00 0.00 175.35 175.10 1mbv s VAL 30 N -0.97 3.75 0.23 3.17 1.01 0.13 -1.58 120.40 126.14 1mbv s VAL 30 Ca 0.37 -0.97 -0.02 0.00 0.00 0.00 0.00 61.98 61.37 1mbv s VAL 30 Cb -0.23 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 1mbv s VAL 30 CO 0.27 -0.05 0.44 -0.63 0.00 0.00 0.00 175.10 175.13 1mbv s ILE 31 N 1.43 5.16 -0.14 2.22 1.01 0.15 -0.10 121.20 130.93 1mbv s ILE 31 Ca -0.00 -0.28 0.03 0.00 0.00 0.00 0.00 60.65 60.39 1mbv s ILE 31 Cb -0.18 -3.74 0.01 0.00 0.01 0.00 0.00 42.46 38.55 1mbv s ILE 31 CO 0.02 -0.24 -0.22 -0.22 0.00 0.00 0.00 174.94 174.28 1mbv s LEU 32 N -3.45 2.11 -0.18 2.97 2.96 -0.25 -1.47 118.68 121.37 1mbv s LEU 32 Ca 0.40 -0.60 -0.05 0.00 -0.22 0.00 0.00 54.13 53.65 1mbv s LEU 32 Cb -0.11 -1.44 -0.03 0.00 0.50 0.00 0.00 46.19 45.11 1mbv s LEU 32 CO 0.30 0.08 0.01 -0.69 -1.32 0.00 0.00 176.35 174.73 1mbv s VAL 33 N 0.79 4.20 0.54 1.68 1.01 -0.23 -1.73 120.40 126.67 1mbv s VAL 33 Ca -0.08 -0.24 -0.20 0.00 0.00 0.00 0.00 61.98 61.46 1mbv s VAL 33 Cb -0.16 -2.88 -0.05 0.00 0.00 0.00 0.00 36.38 33.29 1mbv s VAL 33 CO -0.01 0.46 1.16 0.21 0.00 0.00 0.00 175.10 176.92 1mbv s ASN 34 N 0.54 5.63 0.07 3.32 2.47 -0.42 -3.72 114.94 122.83 1mbv s ASN 34 Ca -0.00 2.27 -0.10 0.00 0.42 0.00 0.00 52.86 55.45 1mbv s ASN 34 Cb -0.14 -2.59 0.00 0.00 -1.45 0.00 0.00 41.25 37.08 1mbv s ASN 34 CO 0.02 -1.29 0.22 1.51 -3.72 0.00 0.00 177.10 173.84 1mbv s ASP 35 N -1.64 0.04 0.24 -4.21 1.47 -1.26 -4.94 116.67 106.38 1mbv s ASP 35 Ca 0.73 -0.49 0.26 0.00 1.18 0.00 0.00 52.55 54.23 1mbv s ASP 35 Cb -0.27 0.33 0.78 0.00 -0.34 0.00 0.00 42.92 43.42 1mbv s ASP 35 CO 0.30 -0.67 1.76 0.44 0.68 0.00 0.00 175.17 177.68 1mbv h ASP 36 N 3.00 0.00 0.00 2.11 3.32 -2.00 -3.33 116.42 119.53 1mbv h ASP 36 Ca -0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.72 1mbv h ASP 36 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1mbv h ASP 36 CO 0.52 0.00 -1.89 -1.22 -1.72 0.00 0.00 179.24 174.93 1mbv n TYR 37 N -2.37 0.00 -2.43 4.55 4.02 -1.26 -4.93 117.16 114.74 1mbv n TYR 37 Ca 0.05 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.52 1mbv n TYR 37 Cb 0.42 -0.45 -0.03 0.00 -0.02 0.00 0.00 39.34 39.27 1mbv n TYR 37 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1mbv s THR 38 N -3.38 3.98 0.14 -0.72 2.01 -1.25 -4.95 115.64 111.47 1mbv s THR 38 Ca -0.07 1.46 -0.30 0.00 0.31 0.00 0.00 61.69 63.09 1mbv s THR 38 Cb 0.13 -3.94 -0.08 0.00 0.01 0.00 0.00 72.50 68.63 1mbv s THR 38 CO 0.84 0.14 1.27 -2.16 -0.69 0.00 0.00 174.62 174.02 1mbv s PRO 39 N 0.81 4.41 0.34 4.92 0.04 -1.26 -4.91 135.00 139.34 1mbv s PRO 39 Ca 0.57 1.94 0.08 0.00 0.04 0.00 0.00 61.00 63.64 1mbv s PRO 39 Cb -0.30 -3.26 0.80 0.00 0.04 0.00 0.00 34.50 31.78 1mbv s PRO 39 CO 0.30 -0.25 1.82 0.52 0.04 0.00 0.00 177.00 179.43 1mbv h MET 40 N 6.04 0.69 -0.71 4.56 2.86 -1.97 0.18 114.93 126.59 1mbv h MET 40 Ca -0.43 -0.04 0.08 0.00 -2.06 0.00 0.00 59.70 57.25 1mbv h MET 40 Cb 1.21 -0.16 -0.05 0.00 0.06 0.00 0.00 31.60 32.67 1mbv h MET 40 CO 0.80 0.46 0.47 0.93 1.06 0.00 0.00 176.91 180.62 1mbv h GLU 41 N 0.71 0.64 -0.05 1.72 3.07 -1.99 0.21 114.58 118.89 1mbv h GLU 41 Ca 0.51 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 59.33 1mbv h GLU 41 Cb 0.85 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 28.61 1mbv h GLU 41 CO -0.28 0.42 0.03 0.35 -1.40 0.00 0.00 179.01 178.13 1mbv h PHE 42 N 0.66 0.06 -0.21 4.33 3.57 -1.02 0.12 116.94 124.45 1mbv h PHE 42 Ca 0.32 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.86 1mbv h PHE 42 Cb 0.38 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.06 1mbv h PHE 42 CO -0.00 0.12 -0.05 0.28 -2.23 0.00 0.00 178.31 176.42 1mbv h VAL 43 N -0.01 0.79 -0.54 1.41 2.07 -0.83 0.70 116.25 119.84 1mbv h VAL 43 Ca 0.02 -0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.61 1mbv h VAL 43 Cb 0.07 0.79 -0.06 0.00 -1.52 0.00 0.00 31.29 30.57 1mbv h VAL 43 CO -0.00 0.00 0.19 0.40 0.02 0.00 0.00 177.57 178.18 1mbv h ILE 44 N 0.00 0.80 -0.34 4.57 2.04 -0.24 0.10 117.51 124.45 1mbv h ILE 44 Ca 0.10 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 1mbv h ILE 44 Cb 0.15 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 1mbv h ILE 44 CO -0.22 0.07 0.20 -0.78 0.00 0.00 0.00 178.15 177.42 1mbv h ASP 45 N 0.37 0.41 -0.35 1.72 3.58 0.39 0.06 116.42 122.60 1mbv h ASP 45 Ca 0.26 -0.06 0.04 0.00 0.42 0.00 0.00 57.03 57.70 1mbv h ASP 45 Cb 0.30 -0.10 -0.04 0.00 1.72 0.00 0.00 39.33 41.21 1mbv h ASP 45 CO -0.27 0.35 0.11 0.58 -2.88 0.00 0.00 179.24 177.13 1mbv h VAL 46 N 0.44 0.89 -0.93 2.25 2.07 0.12 0.48 116.25 121.57 1mbv h VAL 46 Ca 0.12 -0.09 0.06 0.00 0.82 0.00 0.00 66.70 67.61 1mbv h VAL 46 Cb 0.01 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 30.33 1mbv h VAL 46 CO -0.02 0.05 0.61 -0.07 0.02 0.00 0.00 177.57 178.15 1mbv h LEU 47 N 0.26 0.96 -0.03 2.57 3.38 -0.39 -0.02 115.31 122.04 1mbv h LEU 47 Ca 0.16 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 1mbv h LEU 47 Cb 0.14 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 40.69 1mbv h LEU 47 CO -0.17 0.63 -0.31 1.56 0.09 0.00 0.00 178.44 180.24 1mbv h GLN 48 N 1.10 0.27 -0.05 1.13 4.20 0.26 -2.27 115.11 119.75 1mbv h GLN 48 Ca 0.39 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 1mbv h GLN 48 Cb 0.13 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.97 1mbv h GLN 48 CO -0.14 0.92 -0.02 -0.22 -0.67 0.00 0.00 178.83 178.70 1mbv h LYS 49 N -0.30 0.09 -0.02 1.46 3.64 0.09 -2.61 116.57 118.92 1mbv h LYS 49 Ca -0.03 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1mbv h LYS 49 Cb 1.00 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1mbv h LYS 49 CO 0.06 0.47 -0.13 1.19 -2.27 0.00 0.00 179.45 178.78 1mbv n PHE 50 N -4.82 0.00 -0.67 1.91 3.01 -0.04 -4.33 117.46 112.53 1mbv n PHE 50 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.39 1mbv n PHE 50 Cb 0.23 -0.04 0.00 0.00 -0.01 0.00 0.00 39.48 39.67 1mbv n PHE 50 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1mbv n PHE 51 N 0.12 0.00 -3.59 1.38 3.72 -0.85 -5.03 117.46 113.21 1mbv n PHE 51 Ca 0.15 -0.09 -0.22 0.00 -0.05 0.00 0.00 57.45 57.24 1mbv n PHE 51 Cb 0.41 -0.01 0.07 0.00 -0.94 0.00 0.00 39.48 39.01 1mbv n PHE 51 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1mbv n SER 52 N -0.09 -4.00 -4.87 4.37 7.64 -0.98 -4.97 113.62 110.72 1mbv n SER 52 Ca 0.00 -0.63 -0.33 0.00 1.01 0.00 0.00 58.87 58.93 1mbv n SER 52 Cb 0.30 -4.83 -0.05 0.00 -1.01 0.00 0.00 64.21 58.62 1mbv n SER 52 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1mbv s TYR 53 N -3.37 3.45 0.59 1.43 2.02 -1.24 -5.04 117.35 115.19 1mbv s TYR 53 Ca 0.31 0.28 -0.08 0.00 -0.37 0.00 0.00 57.07 57.22 1mbv s TYR 53 Cb -0.14 -1.78 -0.01 0.00 -0.40 0.00 0.00 41.96 39.63 1mbv s TYR 53 CO 0.75 0.60 0.93 0.16 -1.57 0.00 0.00 175.55 176.43 1mbv s ASP 54 N -2.04 5.82 0.32 2.29 -4.77 -1.26 -4.56 116.67 112.47 1mbv s ASP 54 Ca 0.28 0.96 0.06 0.00 -3.30 0.00 0.00 52.55 50.54 1mbv s ASP 54 Cb -0.13 -2.00 0.71 0.00 -1.09 0.00 0.00 42.92 40.41 1mbv s ASP 54 CO 0.20 -0.97 1.83 0.58 0.70 0.00 0.00 175.17 177.51 1mbv h VAL 55 N -0.20 0.83 0.13 2.11 2.07 -1.98 -0.03 116.25 119.18 1mbv h VAL 55 Ca -0.45 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 66.79 1mbv h VAL 55 Cb 1.23 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1mbv h VAL 55 CO 0.62 0.15 -0.30 -0.08 0.02 0.00 0.00 177.57 177.97 1mbv h GLU 56 N 0.82 -0.46 -0.58 1.57 4.81 -2.00 -0.02 114.58 118.72 1mbv h GLU 56 Ca 0.50 0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.67 1mbv h GLU 56 Cb 0.70 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.16 1mbv h GLU 56 CO -0.27 -0.31 -0.02 -0.09 -0.73 0.00 0.00 179.01 177.59 1mbv h ARG 57 N -0.48 1.04 -0.53 1.92 2.43 -1.90 -2.89 114.38 113.97 1mbv h ARG 57 Ca -0.01 -0.34 0.09 0.00 -0.81 0.00 0.00 59.98 58.90 1mbv h ARG 57 Cb 0.46 -0.09 -0.07 0.00 -0.42 0.00 0.00 29.97 29.85 1mbv h ARG 57 CO -0.13 1.03 0.13 0.00 -1.51 0.00 0.00 179.97 179.49 1mbv h ALA 58 N 0.97 0.62 -0.68 2.80 0.00 -0.87 0.47 119.26 122.57 1mbv h ALA 58 Ca 0.16 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 1mbv h ALA 58 Cb 0.58 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1mbv h ALA 58 CO 0.03 -0.28 0.15 1.15 0.00 0.00 0.00 179.25 180.31 1mbv h THR 59 N 0.28 1.26 0.86 0.00 2.02 -0.88 -1.64 112.91 114.82 1mbv h THR 59 Ca 0.27 -0.98 -0.04 0.00 0.77 0.00 0.00 66.41 66.43 1mbv h THR 59 Cb 0.35 0.59 -0.00 0.00 -1.74 0.00 0.00 68.15 67.35 1mbv h THR 59 CO -0.33 0.37 -0.50 1.56 0.37 0.00 0.00 175.52 177.00 1mbv h GLN 60 N 1.03 -1.21 -1.03 6.66 4.20 -1.11 -0.67 115.11 122.97 1mbv h GLN 60 Ca 0.21 0.08 0.27 0.00 0.06 0.00 0.00 58.65 59.28 1mbv h GLN 60 Cb 0.39 0.28 -0.12 0.00 0.30 0.00 0.00 27.48 28.32 1mbv h GLN 60 CO 0.00 -0.81 0.62 1.25 -0.67 0.00 0.00 178.83 179.23 1mbv h LEU 61 N -1.26 0.57 -0.22 1.46 5.85 -0.87 1.34 115.31 122.17 1mbv h LEU 61 Ca -0.12 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1mbv h LEU 61 Cb 1.00 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 1mbv h LEU 61 CO 0.14 0.04 0.09 -0.03 -0.34 0.00 0.00 178.44 178.34 1mbv h MET 62 N 0.46 0.33 -0.14 1.25 4.05 -0.76 -1.31 114.93 118.83 1mbv h MET 62 Ca 0.66 -0.06 0.04 0.00 -0.28 0.00 0.00 59.70 60.06 1mbv h MET 62 Cb 1.45 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 32.18 1mbv h MET 62 CO -0.45 0.38 0.14 -0.07 0.23 0.00 0.00 176.91 177.13 1mbv h LEU 63 N 0.21 0.00 0.31 3.39 3.38 0.32 0.15 115.31 123.07 1mbv h LEU 63 Ca 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1mbv h LEU 63 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1mbv h LEU 63 CO -0.01 0.00 -0.15 0.00 0.09 0.00 0.00 178.44 178.38 1mbv h ALA 64 N 1.86 -0.55 -0.80 1.53 0.00 -0.41 -1.04 119.26 119.85 1mbv h ALA 64 Ca 0.06 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.96 1mbv h ALA 64 Cb 0.34 0.16 -0.10 0.00 0.00 0.00 0.00 17.79 18.19 1mbv h ALA 64 CO -0.00 -0.52 -0.47 0.28 0.00 0.00 0.00 179.25 178.54 1mbv n VAL 65 N -4.21 -0.55 -0.22 0.00 0.31 -0.40 0.23 118.33 113.49 1mbv n VAL 65 Ca -0.05 1.95 -0.01 0.00 -0.01 0.00 0.00 64.34 66.22 1mbv n VAL 65 Cb 0.16 -2.41 0.10 0.00 -0.91 0.00 0.00 33.84 30.78 1mbv n VAL 65 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 1mbv h HIS 66 N 0.00 0.61 0.01 3.52 6.17 -0.81 0.18 115.15 124.83 1mbv h HIS 66 Ca 0.13 0.03 -0.38 0.00 0.71 0.00 0.00 60.37 60.86 1mbv h HIS 66 Cb 0.33 -0.18 -0.07 0.00 2.52 0.00 0.00 27.41 30.01 1mbv h HIS 66 CO -0.83 0.27 -2.38 0.66 0.71 0.00 0.00 177.93 176.36 1mbv n TYR 67 N -4.84 0.11 0.11 5.26 4.01 0.17 -4.41 117.16 117.57 1mbv n TYR 67 Ca 0.08 0.03 -0.13 0.00 -0.16 0.00 0.00 57.90 57.72 1mbv n TYR 67 Cb 0.20 -1.02 -0.08 0.00 -0.31 0.00 0.00 39.34 38.13 1mbv n TYR 67 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1mbv h GLN 68 N 0.00 -0.28 0.00 -0.72 1.08 0.28 -3.48 115.11 112.00 1mbv h GLN 68 Ca -0.55 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 56.67 1mbv h GLN 68 Cb 2.06 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 29.56 1mbv h GLN 68 CO -0.02 0.05 0.00 0.41 -0.95 0.00 0.00 178.83 178.32 1mbv n GLY 69 N -0.24 1.33 3.64 3.46 0.00 0.62 -5.03 105.19 108.97 1mbv n GLY 69 Ca -0.09 -0.08 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 1mbv n GLY 69 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mbv s LYS 70 N 0.00 1.97 -0.23 1.61 -2.85 -1.16 -1.30 119.74 117.78 1mbv s LYS 70 Ca 0.00 -1.52 -0.26 0.00 -1.00 0.00 0.00 55.97 53.18 1mbv s LYS 70 Cb 0.00 0.52 0.09 0.00 -2.06 0.00 0.00 37.83 36.38 1mbv s LYS 70 CO 0.00 -0.87 0.83 0.00 0.10 0.00 0.00 175.35 175.41 1mbv s ALA 71 N -2.97 -1.85 -0.44 0.59 0.00 -0.70 -3.73 121.76 112.66 1mbv s ALA 71 Ca 0.23 1.84 -0.25 0.00 0.00 0.00 0.00 51.96 53.78 1mbv s ALA 71 Cb -0.03 -1.04 0.02 0.00 0.00 0.00 0.00 23.12 22.08 1mbv s ALA 71 CO 0.15 -0.31 0.87 0.42 0.00 0.00 0.00 175.76 176.89 1mbv s ILE 72 N -0.02 4.55 -0.12 0.00 1.01 -1.26 -1.09 121.20 124.27 1mbv s ILE 72 Ca -0.01 0.72 0.18 0.00 0.00 0.00 0.00 60.65 61.54 1mbv s ILE 72 Cb -0.04 -4.37 0.14 0.00 0.01 0.00 0.00 42.46 38.19 1mbv s ILE 72 CO 0.00 -0.73 1.55 0.00 0.00 0.00 0.00 174.94 175.76 1mbv n GLY 74 N 0.95 -0.76 2.74 0.00 0.00 -1.23 -4.97 105.19 101.93 1mbv n GLY 74 Ca 0.02 -1.02 -0.18 0.00 0.00 0.00 0.00 46.02 44.84 1mbv n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mbv s VAL 75 N -2.00 -0.12 0.31 1.61 1.01 -1.26 -0.69 120.40 119.26 1mbv s VAL 75 Ca 0.00 0.35 0.07 0.00 0.00 0.00 0.00 61.98 62.40 1mbv s VAL 75 Cb 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 36.38 36.19 1mbv s VAL 75 CO 0.00 0.15 0.24 0.49 0.00 0.00 0.00 175.10 175.97 1mbv n PHE 76 N 4.97 -0.60 -2.08 5.22 3.01 0.33 -4.93 117.46 123.38 1mbv n PHE 76 Ca -0.11 -2.50 -0.38 0.00 1.01 0.00 0.00 57.45 55.47 1mbv n PHE 76 Cb 0.50 0.23 0.00 0.00 -0.01 0.00 0.00 39.48 40.20 1mbv n PHE 76 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1mbv s THR 77 N -3.18 2.70 0.20 4.37 -4.23 -1.26 0.13 115.64 114.37 1mbv s THR 77 Ca 0.33 0.57 -0.13 0.00 -1.18 0.00 0.00 61.69 61.28 1mbv s THR 77 Cb 0.02 -3.31 0.18 0.00 1.34 0.00 0.00 72.50 70.73 1mbv s THR 77 CO 0.24 0.03 1.65 0.00 -0.54 0.00 0.00 174.62 176.00 1mbv h ALA 78 N 2.19 0.45 -0.93 3.99 0.00 -1.89 0.16 119.26 123.24 1mbv h ALA 78 Ca -0.50 0.20 0.24 0.00 0.00 0.00 0.00 54.91 54.85 1mbv h ALA 78 Cb 1.26 0.37 -0.13 0.00 0.00 0.00 0.00 17.79 19.29 1mbv h ALA 78 CO 0.61 -0.42 0.44 1.49 0.00 0.00 0.00 179.25 181.37 1mbv h GLU 79 N 0.04 0.40 0.07 0.00 4.81 -1.91 -1.54 114.58 116.46 1mbv h GLU 79 Ca 0.28 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.48 1mbv h GLU 79 Cb 0.44 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.73 1mbv h GLU 79 CO -0.54 0.26 -0.03 0.28 -0.73 0.00 0.00 179.01 178.25 1mbv h VAL 80 N 0.41 0.43 -0.96 0.32 2.07 -1.09 -3.34 116.25 114.08 1mbv h VAL 80 Ca 0.60 -1.21 0.31 0.00 0.82 0.00 0.00 66.70 67.22 1mbv h VAL 80 Cb 1.18 0.79 -0.16 0.00 -1.52 0.00 0.00 31.29 31.58 1mbv h VAL 80 CO -0.54 0.14 0.37 0.00 0.02 0.00 0.00 177.57 177.56 1mbv h ALA 81 N -0.75 1.66 -0.91 1.67 0.00 -0.92 0.80 119.26 120.80 1mbv h ALA 81 Ca -0.01 0.24 0.10 0.00 0.00 0.00 0.00 54.91 55.24 1mbv h ALA 81 Cb 0.30 0.32 -0.08 0.00 0.00 0.00 0.00 17.79 18.33 1mbv h ALA 81 CO 0.02 -0.63 0.56 1.49 0.00 0.00 0.00 179.25 180.68 1mbv h GLU 82 N 0.16 0.90 -0.20 0.00 4.81 -1.42 0.29 114.58 119.12 1mbv h GLU 82 Ca 0.68 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.77 1mbv h GLU 82 Cb 1.56 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 30.73 1mbv h GLU 82 CO -0.71 0.60 -0.24 1.15 -0.73 0.00 0.00 179.01 179.08 1mbv h THR 83 N 0.93 1.33 -0.14 0.32 2.02 0.44 -1.59 112.91 116.22 1mbv h THR 83 Ca 0.44 -1.42 -0.01 0.00 0.77 0.00 0.00 66.41 66.19 1mbv h THR 83 Cb 0.36 1.79 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 1mbv h THR 83 CO -0.24 0.43 0.06 0.11 0.37 0.00 0.00 175.52 176.25 1mbv h LYS 84 N 0.19 0.22 -0.90 6.66 1.57 -0.53 -0.14 116.57 123.64 1mbv h LYS 84 Ca 0.03 -0.04 0.16 0.00 -1.87 0.00 0.00 60.65 58.92 1mbv h LYS 84 Cb 0.80 -0.03 -0.10 0.00 0.08 0.00 0.00 32.23 32.97 1mbv h LYS 84 CO 0.06 0.31 0.49 0.28 -0.57 0.00 0.00 179.45 180.02 1mbv h VAL 85 N 0.07 0.73 -0.03 0.50 2.07 -0.42 -0.04 116.25 119.14 1mbv h VAL 85 Ca 0.05 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 1mbv h VAL 85 Cb 0.18 -0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.94 1mbv h VAL 85 CO -0.00 0.12 0.01 0.00 0.02 0.00 0.00 177.57 177.72 1mbv h ALA 86 N 1.58 0.04 0.19 1.67 0.00 -0.41 -1.78 119.26 120.55 1mbv h ALA 86 Ca 0.49 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.29 1mbv h ALA 86 Cb 0.71 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1mbv h ALA 86 CO -0.36 -0.34 -0.20 0.52 0.00 0.00 0.00 179.25 178.86 1mbv h MET 87 N -0.18 -0.42 -0.39 0.00 2.07 -0.07 -1.69 114.93 114.25 1mbv h MET 87 Ca 0.01 0.03 0.08 0.00 -2.07 0.00 0.00 59.70 57.74 1mbv h MET 87 Cb 0.24 0.10 -0.07 0.00 -1.87 0.00 0.00 31.60 29.99 1mbv h MET 87 CO 0.00 -0.28 -0.06 0.28 1.07 0.00 0.00 176.91 177.92 1mbv h VAL 88 N -0.43 0.64 -0.58 -2.22 2.07 -1.05 -1.62 116.25 113.05 1mbv h VAL 88 Ca 0.00 -0.01 0.08 0.00 0.82 0.00 0.00 66.70 67.59 1mbv h VAL 88 Cb 0.41 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 1mbv h VAL 88 CO -0.06 0.01 0.39 0.78 0.02 0.00 0.00 177.57 178.71 1mbv h ASN 89 N 0.04 0.43 0.53 0.57 2.35 -0.90 -0.98 115.58 117.62 1mbv h ASN 89 Ca 0.19 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.92 1mbv h ASN 89 Cb 0.29 -0.09 0.01 0.00 0.05 0.00 0.00 38.32 38.58 1mbv h ASN 89 CO -0.37 0.27 -0.25 0.50 -1.65 0.00 0.00 177.43 175.93 1mbv h LYS 90 N 0.49 -0.68 -0.91 0.81 3.64 -0.42 -1.34 116.57 118.14 1mbv h LYS 90 Ca 0.26 0.05 0.24 0.00 -1.27 0.00 0.00 60.65 59.93 1mbv h LYS 90 Cb 0.39 0.16 -0.16 0.00 -0.41 0.00 0.00 32.23 32.20 1mbv h LYS 90 CO -0.07 -0.44 0.07 -0.92 -2.27 0.00 0.00 179.45 175.82 1mbv h TYR 91 N -1.17 0.04 0.29 1.91 5.03 -1.14 1.24 116.97 123.17 1mbv h TYR 91 Ca -0.07 0.06 0.00 0.00 2.58 0.00 0.00 58.73 61.30 1mbv h TYR 91 Cb 0.56 0.13 -0.02 0.00 1.55 0.00 0.00 36.73 38.94 1mbv h TYR 91 CO 0.00 -0.35 -0.33 0.00 -1.32 0.00 0.00 178.16 176.17 1mbv h ALA 92 N 1.88 -0.68 -0.67 1.82 0.00 -1.06 -0.93 119.26 119.62 1mbv h ALA 92 Ca 0.55 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.46 1mbv h ALA 92 Cb 1.11 0.48 -0.07 0.00 0.00 0.00 0.00 17.79 19.31 1mbv h ALA 92 CO -0.81 -0.92 0.30 -0.09 0.00 0.00 0.00 179.25 177.73 1mbv h ARG 93 N -0.66 0.50 -0.41 0.00 9.65 0.20 -2.11 114.38 121.55 1mbv h ARG 93 Ca -0.01 -0.03 -0.09 0.00 -1.10 0.00 0.00 59.98 58.75 1mbv h ARG 93 Cb 0.62 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 29.06 1mbv h ARG 93 CO -0.09 0.33 -0.12 0.93 2.80 0.00 0.00 179.97 183.83 1mbv h GLU 94 N 0.52 0.73 -0.80 0.20 5.08 0.15 -2.45 114.58 118.01 1mbv h GLU 94 Ca 0.33 -0.24 -0.05 0.00 -1.00 0.00 0.00 59.36 58.40 1mbv h GLU 94 Cb 0.38 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 1mbv h GLU 94 CO -0.29 0.83 0.07 0.09 -1.00 0.00 0.00 179.01 178.71 1mbv n ASN 95 N -4.16 3.67 -3.33 1.42 3.02 -0.39 -4.92 115.26 110.57 1mbv n ASN 95 Ca 0.01 -2.60 -0.24 0.00 -0.03 0.00 0.00 54.58 51.72 1mbv n ASN 95 Cb 0.36 -0.62 0.03 0.00 -0.61 0.00 0.00 39.78 38.94 1mbv n ASN 95 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1mbv n GLU 96 N 0.21 -4.90 -4.27 3.52 1.02 -0.92 -5.02 120.64 110.29 1mbv n GLU 96 Ca 0.19 0.72 -0.21 0.00 -0.02 0.00 0.00 57.16 57.84 1mbv n GLU 96 Cb 0.86 -5.57 -0.12 0.00 -0.02 0.00 0.00 31.44 26.60 1mbv n GLU 96 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1mbv s HIS 97 N -3.14 1.62 -2.00 -0.32 3.76 -0.85 -5.03 115.29 109.33 1mbv s HIS 97 Ca 0.42 -0.46 0.05 0.00 -0.15 0.00 0.00 55.06 54.92 1mbv s HIS 97 Cb -0.20 -0.87 0.28 0.00 1.11 0.00 0.00 32.58 32.90 1mbv s HIS 97 CO 0.52 0.19 1.13 -0.35 -0.85 0.00 0.00 174.74 175.38 1mbv n PRO 98 N 0.87 0.95 -1.39 8.40 -0.04 -1.26 -3.95 135.00 138.58 1mbv n PRO 98 Ca -0.18 0.00 -0.53 0.00 -0.04 0.00 0.00 63.50 62.75 1mbv n PRO 98 Cb 0.55 -1.08 -0.09 0.00 -0.04 0.00 0.00 33.50 32.84 1mbv n PRO 98 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1mbv n LEU 99 N -0.58 1.61 -4.69 1.53 7.94 -1.26 -4.89 117.00 116.67 1mbv n LEU 99 Ca 0.03 0.46 -0.40 0.00 -1.11 0.00 0.00 56.01 54.99 1mbv n LEU 99 Cb 0.02 -1.14 -0.05 0.00 0.53 0.00 0.00 43.42 42.77 1mbv n LEU 99 CO 0.03 -0.77 0.40 -0.22 -1.11 0.00 0.00 177.39 175.72 1mbv s LEU 100 N 7.14 4.23 -0.11 -1.96 2.96 -1.24 -4.82 118.68 124.89 1mbv s LEU 100 Ca 1.14 1.03 0.00 0.00 -0.22 0.00 0.00 54.13 56.08 1mbv s LEU 100 Cb -1.06 -3.01 -0.02 0.00 0.50 0.00 0.00 46.19 42.61 1mbv s LEU 100 CO 0.54 -0.20 -0.10 0.00 -1.32 0.00 0.00 176.35 175.26 1mbv s THR 102 N -0.10 0.29 0.04 0.00 -4.23 -0.54 -4.89 115.64 106.21 1mbv s THR 102 Ca -0.00 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.50 1mbv s THR 102 Cb -0.14 -2.46 -0.03 0.00 1.34 0.00 0.00 72.50 71.22 1mbv s THR 102 CO 0.03 0.00 -0.04 -1.48 -0.54 0.00 0.00 174.62 172.59 1mbv s LEU 103 N -3.44 2.37 0.05 4.79 0.05 -1.26 0.34 118.68 121.58 1mbv s LEU 103 Ca 0.34 -0.76 -0.04 0.00 0.05 0.00 0.00 54.13 53.72 1mbv s LEU 103 Cb 0.03 0.10 -0.02 0.00 -2.05 0.00 0.00 46.19 44.26 1mbv s LEU 103 CO 0.20 -0.43 0.06 -0.70 -0.55 0.00 0.00 176.35 174.93 1mbv s GLU 104 N -2.69 0.61 0.25 1.48 2.12 -0.62 -4.94 118.70 114.91 1mbv s GLU 104 Ca -0.04 -0.91 -0.30 0.00 0.36 0.00 0.00 54.97 54.09 1mbv s GLU 104 Cb -0.01 0.23 -0.09 0.00 0.26 0.00 0.00 34.13 34.52 1mbv s GLU 104 CO -0.05 -0.15 1.14 0.15 -0.54 0.00 0.00 175.26 175.82 1mbv s LYS 105 N -3.09 4.57 0.00 4.30 1.02 -1.26 0.28 119.74 125.56 1mbv s LYS 105 Ca -0.01 1.85 0.00 0.00 0.02 0.00 0.00 55.97 57.83 1mbv s LYS 105 Cb 0.02 -3.20 0.00 0.00 -0.52 0.00 0.00 37.83 34.13 1mbv s LYS 105 CO -0.07 0.09 0.29 0.00 -0.92 0.00 0.00 175.35 174.74