#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mg9 s PRO 24 N 0.00 2.76 0.53 1.97 0.02 -1.26 -4.93 135.00 134.10 1mg9 s PRO 24 Ca 0.00 2.13 -0.22 0.00 0.02 0.00 0.00 61.00 62.94 1mg9 s PRO 24 Cb 0.00 -1.99 -0.06 0.00 0.02 0.00 0.00 34.50 32.47 1mg9 s PRO 24 CO 0.00 -1.46 1.25 -2.30 -0.33 0.00 0.00 177.00 174.16 1mg9 n PRO 25 N -1.59 1.53 -2.56 5.54 -0.02 -1.26 -4.95 135.00 131.69 1mg9 n PRO 25 Ca 0.14 0.56 -0.32 0.00 -2.02 0.00 0.00 63.50 61.86 1mg9 n PRO 25 Cb 0.47 -2.43 -0.04 0.00 -0.02 0.00 0.00 33.50 31.47 1mg9 n PRO 25 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1mg9 s SER 26 N -0.92 6.68 0.36 2.55 0.15 -1.26 -4.94 113.70 116.32 1mg9 s SER 26 Ca 0.71 1.53 -0.10 0.00 0.70 0.00 0.00 55.95 58.79 1mg9 s SER 26 Cb -0.44 -2.49 -0.06 0.00 -1.71 0.00 0.00 66.02 61.32 1mg9 s SER 26 CO 0.50 -0.51 0.71 -0.04 1.20 0.00 0.00 173.24 175.11 1mg9 s MET 27 N -3.83 3.77 -0.00 5.44 -1.94 -1.26 -3.15 119.30 118.33 1mg9 s MET 27 Ca 0.58 0.39 0.05 0.00 -1.71 0.00 0.00 55.69 55.00 1mg9 s MET 27 Cb -0.10 -2.46 -0.01 0.00 2.01 0.00 0.00 34.83 34.27 1mg9 s MET 27 CO 0.27 0.05 -0.15 0.71 -0.01 0.00 0.00 175.02 175.89 1mg9 s TYR 28 N -2.24 1.37 0.06 -0.03 1.51 0.14 -2.35 117.35 115.80 1mg9 s TYR 28 Ca 0.50 -0.27 -0.25 0.00 -1.01 0.00 0.00 57.07 56.04 1mg9 s TYR 28 Cb -0.10 -0.87 -0.06 0.00 -0.11 0.00 0.00 41.96 40.82 1mg9 s TYR 28 CO 0.29 -0.01 0.75 0.15 -1.11 0.00 0.00 175.55 175.62 1mg9 s LYS 29 N -0.50 4.49 -0.24 -0.62 1.02 0.29 -1.31 119.74 122.87 1mg9 s LYS 29 Ca 0.05 1.05 -0.08 0.00 0.02 0.00 0.00 55.97 57.02 1mg9 s LYS 29 Cb -0.06 -3.34 -0.03 0.00 -0.52 0.00 0.00 37.83 33.87 1mg9 s LYS 29 CO -0.00 0.34 0.08 0.08 -0.92 0.00 0.00 175.35 174.92 1mg9 s VAL 30 N -0.24 4.46 0.05 3.17 1.01 0.37 -0.74 120.40 128.48 1mg9 s VAL 30 Ca 0.37 -0.13 0.09 0.00 0.00 0.00 0.00 61.98 62.32 1mg9 s VAL 30 Cb -0.21 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 1mg9 s VAL 30 CO 0.23 0.36 -0.26 -0.63 0.00 0.00 0.00 175.10 174.80 1mg9 s ILE 31 N 1.38 2.09 -0.11 2.22 1.01 0.82 -0.26 121.20 128.35 1mg9 s ILE 31 Ca 0.05 -1.41 -0.01 0.00 0.00 0.00 0.00 60.65 59.29 1mg9 s ILE 31 Cb -0.15 -1.80 -0.03 0.00 0.01 0.00 0.00 42.46 40.50 1mg9 s ILE 31 CO 0.04 0.31 -0.07 -0.76 0.00 0.00 0.00 174.94 174.46 1mg9 s LEU 32 N -1.32 3.12 0.04 2.97 1.43 -1.02 -0.75 118.68 123.16 1mg9 s LEU 32 Ca 0.11 -0.11 0.02 0.00 -1.03 0.00 0.00 54.13 53.12 1mg9 s LEU 32 Cb -0.10 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 1mg9 s LEU 32 CO 0.02 0.26 0.07 -0.69 0.23 0.00 0.00 176.35 176.24 1mg9 s VAL 33 N -0.21 4.53 0.29 -1.59 1.01 -0.56 -2.27 120.40 121.60 1mg9 s VAL 33 Ca 0.03 -0.64 -0.28 0.00 0.00 0.00 0.00 61.98 61.09 1mg9 s VAL 33 Cb -0.13 -3.12 -0.09 0.00 0.00 0.00 0.00 36.38 33.03 1mg9 s VAL 33 CO 0.03 0.23 0.94 0.21 0.00 0.00 0.00 175.10 176.50 1mg9 s ASN 34 N -2.07 7.46 0.14 3.32 3.04 -0.10 -4.39 114.94 122.34 1mg9 s ASN 34 Ca 0.26 1.88 -0.09 0.00 0.04 0.00 0.00 52.86 54.95 1mg9 s ASN 34 Cb -0.12 -2.59 -0.01 0.00 -1.54 0.00 0.00 41.25 36.99 1mg9 s ASN 34 CO 0.18 0.03 0.25 1.51 -3.04 0.00 0.00 177.10 176.03 1mg9 s ASP 35 N -1.43 0.07 0.10 -4.21 -4.77 -1.26 -5.02 116.67 100.15 1mg9 s ASP 35 Ca 0.46 -0.80 0.26 0.00 -3.30 0.00 0.00 52.55 49.17 1mg9 s ASP 35 Cb -0.22 0.40 0.63 0.00 -1.09 0.00 0.00 42.92 42.65 1mg9 s ASP 35 CO 0.27 -0.84 1.55 0.47 0.70 0.00 0.00 175.17 177.33 1mg9 n ASP 36 N -0.16 0.58 -0.00 2.11 8.00 -1.26 -4.30 116.55 121.51 1mg9 n ASP 36 Ca -0.10 0.23 0.10 0.00 0.71 0.00 0.00 54.79 55.73 1mg9 n ASP 36 Cb 0.63 -0.17 -0.14 0.00 -0.02 0.00 0.00 41.12 41.42 1mg9 n ASP 36 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1mg9 n TYR 37 N -1.94 0.00 -2.81 1.24 4.02 -1.26 -4.95 117.16 111.47 1mg9 n TYR 37 Ca 0.05 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.53 1mg9 n TYR 37 Cb 0.40 -0.24 -0.04 0.00 -0.02 0.00 0.00 39.34 39.45 1mg9 n TYR 37 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1mg9 s THR 38 N -3.15 4.79 0.34 -0.72 2.01 -1.26 -4.92 115.64 112.74 1mg9 s THR 38 Ca -0.00 1.90 -0.27 0.00 0.31 0.00 0.00 61.69 63.63 1mg9 s THR 38 Cb 0.14 -4.24 -0.09 0.00 0.01 0.00 0.00 72.50 68.31 1mg9 s THR 38 CO 0.83 0.24 1.10 -2.16 -0.69 0.00 0.00 174.62 173.95 1mg9 s PRO 39 N 0.57 4.37 0.44 4.92 0.04 -1.26 -4.91 135.00 139.17 1mg9 s PRO 39 Ca 0.46 1.73 0.16 0.00 0.04 0.00 0.00 61.00 63.40 1mg9 s PRO 39 Cb -0.21 -2.88 1.08 0.00 0.04 0.00 0.00 34.50 32.53 1mg9 s PRO 39 CO 0.26 -0.02 1.95 0.52 0.04 0.00 0.00 177.00 179.76 1mg9 h MET 40 N 3.16 0.36 -0.95 4.56 2.86 -1.99 1.00 114.93 123.93 1mg9 h MET 40 Ca -0.48 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.14 1mg9 h MET 40 Cb 1.22 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 32.75 1mg9 h MET 40 CO 0.65 0.24 0.58 1.49 1.06 0.00 0.00 176.91 180.93 1mg9 h GLU 41 N 0.37 1.28 -0.36 1.72 4.81 -2.00 -1.96 114.58 118.44 1mg9 h GLU 41 Ca 0.32 -0.11 -0.10 0.00 -0.13 0.00 0.00 59.36 59.34 1mg9 h GLU 41 Cb 0.74 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 1mg9 h GLU 41 CO -0.09 0.88 -0.16 0.35 -0.73 0.00 0.00 179.01 179.27 1mg9 h PHE 42 N 1.30 0.86 -0.66 0.92 3.57 -1.18 -1.83 116.94 119.93 1mg9 h PHE 42 Ca 0.34 -0.21 0.06 0.00 3.53 0.00 0.00 57.97 61.69 1mg9 h PHE 42 Cb -0.08 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 38.41 1mg9 h PHE 42 CO 0.00 0.93 0.37 0.28 -2.23 0.00 0.00 178.31 177.66 1mg9 h VAL 43 N 0.54 0.98 -0.91 1.41 2.07 -1.15 -0.07 116.25 119.12 1mg9 h VAL 43 Ca 0.08 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 1mg9 h VAL 43 Cb 0.70 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 1mg9 h VAL 43 CO 0.05 0.12 0.52 0.40 0.02 0.00 0.00 177.57 178.69 1mg9 h ILE 44 N 0.68 1.26 -0.22 4.57 2.04 -1.25 -1.02 117.51 123.56 1mg9 h ILE 44 Ca 0.29 -0.59 0.03 0.00 1.00 0.00 0.00 64.86 65.59 1mg9 h ILE 44 Cb 0.17 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.22 1mg9 h ILE 44 CO -0.17 0.28 0.02 -0.78 0.00 0.00 0.00 178.15 177.49 1mg9 h ASP 45 N 1.26 -0.04 -0.11 1.72 -0.00 -0.29 -1.77 116.42 117.19 1mg9 h ASP 45 Ca 0.32 0.04 0.01 0.00 -0.00 0.00 0.00 57.03 57.41 1mg9 h ASP 45 Cb -0.02 0.07 -0.01 0.00 -0.00 0.00 0.00 39.33 39.37 1mg9 h ASP 45 CO -0.06 0.01 0.03 0.58 -0.00 0.00 0.00 179.24 179.80 1mg9 h VAL 46 N 0.10 0.96 -0.69 2.25 2.07 -0.32 0.83 116.25 121.45 1mg9 h VAL 46 Ca 0.10 -0.03 0.03 0.00 0.82 0.00 0.00 66.70 67.62 1mg9 h VAL 46 Cb 0.11 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 1mg9 h VAL 46 CO -0.15 0.01 0.45 -0.07 0.02 0.00 0.00 177.57 177.84 1mg9 h LEU 47 N 0.08 0.72 -0.00 2.57 -0.00 -1.03 0.35 115.31 118.00 1mg9 h LEU 47 Ca 0.05 -0.01 -0.03 0.00 -0.00 0.00 0.00 57.88 57.88 1mg9 h LEU 47 Cb 0.03 -0.17 0.00 0.00 -0.00 0.00 0.00 40.66 40.53 1mg9 h LEU 47 CO -0.06 0.50 -0.13 1.56 -0.00 0.00 0.00 178.44 180.32 1mg9 h GLN 48 N 0.84 0.09 -0.41 1.13 4.20 -0.96 -1.73 115.11 118.28 1mg9 h GLN 48 Ca 0.27 -0.09 -0.13 0.00 0.06 0.00 0.00 58.65 58.76 1mg9 h GLN 48 Cb 0.04 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1mg9 h GLN 48 CO -0.07 0.85 -0.25 -0.22 -0.67 0.00 0.00 178.83 178.47 1mg9 h LYS 49 N -0.64 0.89 0.00 1.46 3.64 -0.69 -3.05 116.57 118.18 1mg9 h LYS 49 Ca -0.02 -0.41 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 1mg9 h LYS 49 Cb 0.90 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 1mg9 h LYS 49 CO 0.02 1.06 -1.53 1.19 -2.27 0.00 0.00 179.45 177.93 1mg9 n PHE 50 N -4.17 0.00 -0.01 1.91 3.01 0.10 -4.58 117.46 113.72 1mg9 n PHE 50 Ca -0.01 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.46 1mg9 n PHE 50 Cb 0.47 -0.29 0.04 0.00 -0.01 0.00 0.00 39.48 39.69 1mg9 n PHE 50 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1mg9 n PHE 51 N -1.91 0.13 -2.66 1.38 3.01 -0.67 -5.00 117.46 111.73 1mg9 n PHE 51 Ca -0.02 -0.39 -0.18 0.00 1.01 0.00 0.00 57.45 57.87 1mg9 n PHE 51 Cb 0.40 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.83 1mg9 n PHE 51 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1mg9 n SER 52 N -0.07 -4.94 -4.86 4.37 7.64 -1.10 -4.94 113.62 109.72 1mg9 n SER 52 Ca 0.04 -0.04 -0.32 0.00 1.01 0.00 0.00 58.87 59.55 1mg9 n SER 52 Cb 0.27 -4.10 -0.06 0.00 -1.01 0.00 0.00 64.21 59.30 1mg9 n SER 52 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1mg9 s TYR 53 N -2.90 3.39 0.91 1.43 1.51 -1.08 -5.00 117.35 115.61 1mg9 s TYR 53 Ca 0.11 1.10 -0.15 0.00 -1.01 0.00 0.00 57.07 57.13 1mg9 s TYR 53 Cb -0.05 -2.44 0.16 0.00 -0.11 0.00 0.00 41.96 39.51 1mg9 s TYR 53 CO 0.14 0.16 1.27 0.16 -1.11 0.00 0.00 175.55 176.16 1mg9 s ASP 54 N -2.29 3.60 0.17 2.29 1.47 -1.26 -4.38 116.67 116.26 1mg9 s ASP 54 Ca 0.52 0.44 -0.15 0.00 1.18 0.00 0.00 52.55 54.54 1mg9 s ASP 54 Cb -0.11 -0.64 0.10 0.00 -0.34 0.00 0.00 42.92 41.93 1mg9 s ASP 54 CO 0.19 -2.45 1.77 0.58 0.68 0.00 0.00 175.17 175.94 1mg9 h VAL 55 N -1.44 0.94 -0.40 2.11 2.07 -1.97 -1.15 116.25 116.41 1mg9 h VAL 55 Ca -0.45 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 1mg9 h VAL 55 Cb 1.27 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 1mg9 h VAL 55 CO 0.48 0.07 0.12 -0.33 0.02 0.00 0.00 177.57 177.93 1mg9 h GLU 56 N 0.40 0.62 -0.12 1.57 5.08 -1.99 0.67 114.58 120.82 1mg9 h GLU 56 Ca 0.19 -0.14 -0.16 0.00 -1.00 0.00 0.00 59.36 58.26 1mg9 h GLU 56 Cb 0.13 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1mg9 h GLU 56 CO -0.15 0.63 -0.61 -0.09 -1.00 0.00 0.00 179.01 177.78 1mg9 h ARG 57 N 0.50 0.40 -0.45 2.33 9.65 -1.93 -2.69 114.38 122.20 1mg9 h ARG 57 Ca 0.13 -0.28 -0.14 0.00 -1.10 0.00 0.00 59.98 58.59 1mg9 h ARG 57 Cb 0.26 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.87 1mg9 h ARG 57 CO -0.00 0.89 -0.26 0.00 2.80 0.00 0.00 179.97 183.40 1mg9 h ALA 58 N 1.04 0.69 -0.47 2.80 0.00 -1.04 -2.73 119.26 119.55 1mg9 h ALA 58 Ca -0.01 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 1mg9 h ALA 58 Cb 1.15 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1mg9 h ALA 58 CO 0.11 0.67 0.14 1.15 0.00 0.00 0.00 179.25 181.31 1mg9 h THR 59 N 0.81 1.23 0.00 0.00 2.02 -0.75 -1.49 112.91 114.73 1mg9 h THR 59 Ca 0.10 -0.78 -0.04 0.00 0.77 0.00 0.00 66.41 66.46 1mg9 h THR 59 Cb 0.83 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 1mg9 h THR 59 CO 0.07 0.28 -0.18 0.06 0.37 0.00 0.00 175.52 176.12 1mg9 h GLN 60 N 0.63 0.00 0.11 6.66 3.07 -1.45 -1.15 115.11 122.98 1mg9 h GLN 60 Ca 0.15 0.00 -0.28 0.00 0.09 0.00 0.00 58.65 58.61 1mg9 h GLN 60 Cb 0.29 0.00 0.02 0.00 0.08 0.00 0.00 27.48 27.87 1mg9 h GLN 60 CO -0.00 0.18 -1.20 1.25 0.09 0.00 0.00 178.83 179.15 1mg9 h LEU 61 N 0.00 0.71 -0.65 0.06 5.85 -1.17 -1.83 115.31 118.28 1mg9 h LEU 61 Ca -0.00 -0.67 -0.11 0.00 0.84 0.00 0.00 57.88 57.94 1mg9 h LEU 61 Cb 0.69 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 1mg9 h LEU 61 CO 0.02 1.49 -0.14 0.00 -0.34 0.00 0.00 178.44 179.48 1mg9 h MET 62 N 0.22 0.91 -0.46 1.25 -0.00 -1.03 -1.60 114.93 114.21 1mg9 h MET 62 Ca -0.16 -0.34 -0.00 0.00 -0.00 0.00 0.00 59.70 59.20 1mg9 h MET 62 Cb 1.88 -0.06 -0.02 0.00 -0.00 0.00 0.00 31.60 33.40 1mg9 h MET 62 CO 0.22 0.99 0.28 -0.07 -0.00 0.00 0.00 176.91 178.33 1mg9 h LEU 63 N 0.81 0.55 -1.47 -0.10 3.38 -1.19 -0.85 115.31 116.44 1mg9 h LEU 63 Ca 0.13 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1mg9 h LEU 63 Cb 0.67 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1mg9 h LEU 63 CO 0.05 0.44 0.21 0.00 0.09 0.00 0.00 178.44 179.23 1mg9 h ALA 64 N 1.14 1.59 -0.33 1.53 0.00 -1.08 0.35 119.26 122.45 1mg9 h ALA 64 Ca 0.17 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1mg9 h ALA 64 Cb -0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1mg9 h ALA 64 CO -0.03 0.34 -0.11 0.28 0.00 0.00 0.00 179.25 179.73 1mg9 h VAL 65 N 0.58 1.28 -0.19 0.00 2.07 -0.63 0.11 116.25 119.47 1mg9 h VAL 65 Ca 0.15 -1.19 -0.18 0.00 0.82 0.00 0.00 66.70 66.30 1mg9 h VAL 65 Cb 0.04 1.36 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1mg9 h VAL 65 CO -0.02 0.39 -0.61 0.00 0.02 0.00 0.00 177.57 177.34 1mg9 h ALA 66 N 0.80 0.57 0.19 1.67 0.00 -0.40 -0.47 119.26 121.62 1mg9 h ALA 66 Ca 0.08 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1mg9 h ALA 66 Cb 0.62 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1mg9 h ALA 66 CO 0.04 0.70 -0.09 -0.92 0.00 0.00 0.00 179.25 178.97 1mg9 h TYR 67 N 0.48 -0.24 -0.00 0.00 3.20 -0.31 -3.35 116.97 116.75 1mg9 h TYR 67 Ca -0.01 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1mg9 h TYR 67 Cb 1.19 0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.54 1mg9 h TYR 67 CO 0.06 0.11 -0.17 1.04 -1.64 0.00 0.00 178.16 177.56 1mg9 n GLN 68 N -4.94 0.44 0.00 1.82 6.02 0.37 -4.94 117.38 116.14 1mg9 n GLN 68 Ca -0.07 -0.16 0.00 0.00 -0.01 0.00 0.00 57.00 56.77 1mg9 n GLN 68 Cb 0.23 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.99 1mg9 n GLN 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1mg9 n GLY 69 N 1.36 3.22 3.56 1.08 0.00 -0.20 -4.96 105.19 109.25 1mg9 n GLY 69 Ca 0.11 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.07 1mg9 n GLY 69 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mg9 s LYS 70 N -0.51 0.53 -0.10 1.61 -2.85 -1.10 -0.92 119.74 116.40 1mg9 s LYS 70 Ca 0.00 -0.14 -0.17 0.00 -1.00 0.00 0.00 55.97 54.66 1mg9 s LYS 70 Cb 0.00 0.24 0.04 0.00 -2.06 0.00 0.00 37.83 36.05 1mg9 s LYS 70 CO 0.00 -0.22 0.43 0.00 0.10 0.00 0.00 175.35 175.65 1mg9 s ALA 71 N -2.43 -1.07 -0.10 0.59 0.00 -0.96 -4.51 121.76 113.28 1mg9 s ALA 71 Ca 0.06 0.92 -0.30 0.00 0.00 0.00 0.00 51.96 52.65 1mg9 s ALA 71 Cb -0.01 -0.34 -0.03 0.00 0.00 0.00 0.00 23.12 22.74 1mg9 s ALA 71 CO -0.06 -0.25 1.28 0.42 0.00 0.00 0.00 175.76 177.15 1mg9 s ILE 72 N -0.52 4.17 -0.97 0.00 1.01 -1.26 -2.42 121.20 121.21 1mg9 s ILE 72 Ca -0.06 1.46 0.20 0.00 0.00 0.00 0.00 60.65 62.25 1mg9 s ILE 72 Cb -0.03 -3.94 -0.21 0.00 0.01 0.00 0.00 42.46 38.28 1mg9 s ILE 72 CO 0.03 -0.07 0.86 0.00 0.00 0.00 0.00 174.94 175.76 1mg9 n GLY 74 N 1.47 1.09 2.96 0.00 0.00 -1.18 -4.98 105.19 104.55 1mg9 n GLY 74 Ca 0.04 -0.78 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 1mg9 n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mg9 s VAL 75 N -2.00 1.37 0.36 1.61 1.01 -1.26 -0.48 120.40 121.01 1mg9 s VAL 75 Ca 0.00 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.36 1mg9 s VAL 75 Cb 0.00 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 1mg9 s VAL 75 CO 0.00 0.29 0.13 -0.36 0.00 0.00 0.00 175.10 175.16 1mg9 s PHE 76 N 1.55 1.76 0.63 5.22 0.40 -0.43 -4.92 117.98 122.19 1mg9 s PHE 76 Ca 0.02 -1.26 -0.15 0.00 -0.60 0.00 0.00 56.93 54.94 1mg9 s PHE 76 Cb -0.14 -1.08 -0.01 0.00 0.51 0.00 0.00 43.02 42.29 1mg9 s PHE 76 CO -0.09 -0.32 1.09 0.95 0.70 0.00 0.00 175.22 177.55 1mg9 s THR 77 N -3.35 3.47 0.21 0.64 -4.23 -1.26 0.26 115.64 111.39 1mg9 s THR 77 Ca 0.30 0.69 -0.12 0.00 -1.18 0.00 0.00 61.69 61.38 1mg9 s THR 77 Cb 0.04 -3.22 0.22 0.00 1.34 0.00 0.00 72.50 70.89 1mg9 s THR 77 CO 0.16 -0.42 1.64 0.00 -0.54 0.00 0.00 174.62 175.46 1mg9 h ALA 78 N 0.18 0.54 -0.25 3.99 0.00 -1.88 0.83 119.26 122.67 1mg9 h ALA 78 Ca -0.47 0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.70 1mg9 h ALA 78 Cb 1.24 0.40 -0.04 0.00 0.00 0.00 0.00 17.79 19.39 1mg9 h ALA 78 CO 0.55 -0.41 -0.01 1.49 0.00 0.00 0.00 179.25 180.87 1mg9 h GLU 79 N 0.06 0.07 -0.28 0.00 4.81 -1.91 -0.09 114.58 117.23 1mg9 h GLU 79 Ca 0.32 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.48 1mg9 h GLU 79 Cb 0.52 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 1mg9 h GLU 79 CO -0.59 0.04 -0.08 0.28 -0.73 0.00 0.00 179.01 177.94 1mg9 h VAL 80 N 0.07 1.28 -0.45 0.32 2.07 -1.75 -2.99 116.25 114.79 1mg9 h VAL 80 Ca 0.12 -1.11 0.04 0.00 0.82 0.00 0.00 66.70 66.57 1mg9 h VAL 80 Cb 0.16 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 1mg9 h VAL 80 CO -0.20 0.35 0.21 0.00 0.02 0.00 0.00 177.57 177.95 1mg9 h ALA 81 N 0.78 0.56 -0.48 1.67 0.00 -0.62 0.15 119.26 121.32 1mg9 h ALA 81 Ca 0.07 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1mg9 h ALA 81 Cb 0.56 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1mg9 h ALA 81 CO 0.03 -0.15 0.25 1.49 0.00 0.00 0.00 179.25 180.87 1mg9 h GLU 82 N 0.42 0.49 -0.36 0.00 4.81 -1.00 -0.64 114.58 118.29 1mg9 h GLU 82 Ca 0.20 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.29 1mg9 h GLU 82 Cb 0.13 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1mg9 h GLU 82 CO -0.16 0.32 -0.22 1.15 -0.73 0.00 0.00 179.01 179.37 1mg9 h THR 83 N 0.50 1.28 -0.38 0.32 2.02 -1.29 -2.85 112.91 112.52 1mg9 h THR 83 Ca 0.21 -1.37 0.01 0.00 0.77 0.00 0.00 66.41 66.03 1mg9 h THR 83 Cb 0.09 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 1mg9 h THR 83 CO -0.13 0.45 0.24 0.50 0.37 0.00 0.00 175.52 176.95 1mg9 h LYS 84 N 0.59 0.47 -0.69 6.66 3.64 -0.39 -1.27 116.57 125.58 1mg9 h LYS 84 Ca 0.08 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1mg9 h LYS 84 Cb 0.78 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.46 1mg9 h LYS 84 CO 0.06 0.31 0.45 0.28 -2.27 0.00 0.00 179.45 178.29 1mg9 h VAL 85 N 0.49 1.18 -0.47 2.00 2.07 -1.11 -0.98 116.25 119.43 1mg9 h VAL 85 Ca 0.14 -0.34 -0.06 0.00 0.82 0.00 0.00 66.70 67.27 1mg9 h VAL 85 Cb -0.03 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 29.89 1mg9 h VAL 85 CO -0.05 0.18 0.06 0.00 0.02 0.00 0.00 177.57 177.78 1mg9 h ALA 86 N 1.25 1.23 -0.07 1.67 0.00 -1.22 -2.25 119.26 119.87 1mg9 h ALA 86 Ca 0.25 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1mg9 h ALA 86 Cb -0.10 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1mg9 h ALA 86 CO -0.05 0.52 -0.09 0.52 0.00 0.00 0.00 179.25 180.14 1mg9 h MET 87 N 0.70 0.19 -0.42 0.00 2.07 -0.74 -2.52 114.93 114.20 1mg9 h MET 87 Ca 0.15 -0.11 0.03 0.00 -2.07 0.00 0.00 59.70 57.70 1mg9 h MET 87 Cb 0.34 0.01 -0.03 0.00 -1.87 0.00 0.00 31.60 30.05 1mg9 h MET 87 CO 0.01 0.65 0.22 0.28 1.07 0.00 0.00 176.91 179.15 1mg9 h VAL 88 N -0.27 0.99 -0.16 -2.22 2.07 -1.11 -1.34 116.25 114.22 1mg9 h VAL 88 Ca 0.01 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.33 1mg9 h VAL 88 Cb 0.63 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1mg9 h VAL 88 CO 0.02 0.08 -0.09 0.78 0.02 0.00 0.00 177.57 178.39 1mg9 h ASN 89 N 0.45 0.23 -0.25 0.57 2.35 -1.46 -1.71 115.58 115.76 1mg9 h ASN 89 Ca 0.18 -0.04 -0.14 0.00 -0.55 0.00 0.00 56.30 55.75 1mg9 h ASN 89 Cb 0.06 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1mg9 h ASN 89 CO -0.11 0.36 -0.34 0.50 -1.65 0.00 0.00 177.43 176.19 1mg9 h LYS 90 N 0.24 0.78 -0.07 0.81 3.64 -0.90 -0.76 116.57 120.31 1mg9 h LYS 90 Ca 0.05 -0.38 -0.01 0.00 -1.27 0.00 0.00 60.65 59.04 1mg9 h LYS 90 Cb 0.32 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1mg9 h LYS 90 CO 0.02 1.00 -0.01 -0.92 -2.27 0.00 0.00 179.45 177.26 1mg9 h TYR 91 N 0.65 0.15 -0.15 1.91 3.20 -0.81 -0.85 116.97 121.07 1mg9 h TYR 91 Ca 0.07 -0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.93 1mg9 h TYR 91 Cb 0.88 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 39.09 1mg9 h TYR 91 CO 0.05 0.45 -0.04 0.00 -1.64 0.00 0.00 178.16 176.98 1mg9 h ALA 92 N 0.68 0.10 -0.83 1.82 0.00 -1.25 -1.20 119.26 118.58 1mg9 h ALA 92 Ca 0.02 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1mg9 h ALA 92 Cb 0.40 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1mg9 h ALA 92 CO 0.01 -0.48 0.49 -0.09 0.00 0.00 0.00 179.25 179.17 1mg9 h ARG 93 N 0.00 1.14 0.00 0.00 2.43 -1.09 -0.69 114.38 116.17 1mg9 h ARG 93 Ca 0.07 -0.11 -0.05 0.00 -0.81 0.00 0.00 59.98 59.08 1mg9 h ARG 93 Cb 0.11 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 1mg9 h ARG 93 CO -0.15 0.81 -0.22 0.93 -1.51 0.00 0.00 179.97 179.83 1mg9 h GLU 94 N 1.15 0.00 -0.63 0.20 5.08 -0.58 -1.97 114.58 117.83 1mg9 h GLU 94 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1mg9 h GLU 94 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1mg9 h GLU 94 CO -0.05 0.22 0.00 0.09 -1.00 0.00 0.00 179.01 178.27 1mg9 n ASN 95 N -3.65 5.14 -3.17 1.42 3.02 -0.50 -4.94 115.26 112.57 1mg9 n ASN 95 Ca -0.01 -2.69 -0.23 0.00 -0.03 0.00 0.00 54.58 51.62 1mg9 n ASN 95 Cb 0.35 -0.63 0.02 0.00 -0.61 0.00 0.00 39.78 38.91 1mg9 n ASN 95 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1mg9 n GLU 96 N 0.82 -4.28 -4.27 3.52 -0.58 -0.74 -5.01 120.64 110.09 1mg9 n GLU 96 Ca 0.26 0.72 -0.27 0.00 -0.42 0.00 0.00 57.16 57.44 1mg9 n GLU 96 Cb 1.03 -5.52 -0.09 0.00 -0.57 0.00 0.00 31.44 26.29 1mg9 n GLU 96 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 1mg9 s HIS 97 N -3.07 2.66 -2.02 -0.32 3.76 -0.35 -5.02 115.29 110.94 1mg9 s HIS 97 Ca 0.35 -0.21 0.13 0.00 -0.15 0.00 0.00 55.06 55.18 1mg9 s HIS 97 Cb -0.17 -1.32 0.37 0.00 1.11 0.00 0.00 32.58 32.57 1mg9 s HIS 97 CO 0.43 0.49 1.31 -0.35 -0.85 0.00 0.00 174.74 175.77 1mg9 n PRO 98 N 0.19 1.92 -1.42 8.40 -0.04 -1.26 -3.88 135.00 138.91 1mg9 n PRO 98 Ca -0.11 -1.42 -0.48 0.00 -0.04 0.00 0.00 63.50 61.45 1mg9 n PRO 98 Cb 0.55 -1.32 -0.11 0.00 -0.04 0.00 0.00 33.50 32.58 1mg9 n PRO 98 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1mg9 n LEU 99 N 0.65 1.04 -4.60 1.53 0.00 -1.26 -4.88 117.00 109.48 1mg9 n LEU 99 Ca 0.14 0.29 -0.39 0.00 0.00 0.00 0.00 56.01 56.05 1mg9 n LEU 99 Cb 0.34 -1.06 -0.09 0.00 0.00 0.00 0.00 43.42 42.60 1mg9 n LEU 99 CO 0.09 -0.84 0.00 -0.22 0.00 0.00 0.00 177.39 176.43 1mg9 s LEU 100 N 8.17 4.04 -0.12 -1.96 1.98 -1.26 -4.76 118.68 124.77 1mg9 s LEU 100 Ca 1.21 0.22 -0.02 0.00 -2.89 0.00 0.00 54.13 52.65 1mg9 s LEU 100 Cb -1.12 -2.35 -0.03 0.00 0.66 0.00 0.00 46.19 43.35 1mg9 s LEU 100 CO 0.51 -0.14 -0.03 0.00 -1.89 0.00 0.00 176.35 174.80 1mg9 s THR 102 N -0.27 0.39 0.01 0.00 -4.23 0.07 -4.92 115.64 106.69 1mg9 s THR 102 Ca 0.05 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.58 1mg9 s THR 102 Cb -0.13 -2.49 -0.01 0.00 1.34 0.00 0.00 72.50 71.21 1mg9 s THR 102 CO 0.02 0.00 -0.07 -1.48 -0.54 0.00 0.00 174.62 172.55 1mg9 s LEU 103 N -3.42 2.06 0.01 4.79 2.34 -1.26 -0.13 118.68 123.07 1mg9 s LEU 103 Ca 0.34 -0.21 0.04 0.00 0.06 0.00 0.00 54.13 54.36 1mg9 s LEU 103 Cb 0.04 -0.33 -0.01 0.00 -0.56 0.00 0.00 46.19 45.33 1mg9 s LEU 103 CO 0.18 0.03 -0.12 -1.61 -1.06 0.00 0.00 176.35 173.77 1mg9 s GLU 104 N -0.45 0.92 1.10 1.48 2.02 0.08 -4.95 118.70 118.91 1mg9 s GLU 104 Ca 0.01 -0.54 -0.16 0.00 0.02 0.00 0.00 54.97 54.29 1mg9 s GLU 104 Cb -0.04 -0.90 0.24 0.00 0.10 0.00 0.00 34.13 33.53 1mg9 s GLU 104 CO -0.00 0.24 1.13 0.21 0.02 0.00 0.00 175.26 176.85 1mg9 s LYS 105 N -0.61 -0.42 0.00 1.61 2.20 -1.26 0.10 119.74 121.36 1mg9 s LYS 105 Ca 0.03 0.08 0.00 0.00 -0.36 0.00 0.00 55.97 55.71 1mg9 s LYS 105 Cb -0.06 -1.68 0.00 0.00 -1.51 0.00 0.00 37.83 34.58 1mg9 s LYS 105 CO 0.00 -3.21 0.00 0.00 -0.36 0.00 0.00 175.35 171.78