#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wa9 s PRO 24 N 0.00 0.52 -0.73 1.97 0.04 -1.26 -5.08 135.00 130.47 2wa9 s PRO 24 Ca 0.00 0.55 -0.36 0.00 0.04 0.00 0.00 61.00 61.23 2wa9 s PRO 24 Cb 0.00 0.25 -0.19 0.00 0.04 0.00 0.00 34.50 34.60 2wa9 s PRO 24 CO 0.00 -0.07 2.43 -2.30 0.04 0.00 0.00 177.00 177.10 2wa9 n PRO 25 N 2.72 0.15 -1.59 0.56 -0.02 -1.26 -4.87 135.00 130.69 2wa9 n PRO 25 Ca -0.14 0.02 -0.46 0.00 -2.02 0.00 0.00 63.50 60.90 2wa9 n PRO 25 Cb 0.57 -1.69 -0.04 0.00 -0.02 0.00 0.00 33.50 32.31 2wa9 n PRO 25 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2wa9 n SER 26 N 9.63 3.12 -4.82 2.55 7.64 -1.26 -4.97 113.62 125.52 2wa9 n SER 26 Ca 0.58 0.52 -0.36 0.00 1.01 0.00 0.00 58.87 60.62 2wa9 n SER 26 Cb 0.05 -1.43 -0.06 0.00 -1.01 0.00 0.00 64.21 61.76 2wa9 n SER 26 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2wa9 s MET 27 N 5.55 4.15 -0.08 1.43 -1.94 -1.26 -2.30 119.30 124.84 2wa9 s MET 27 Ca 1.00 0.70 0.02 0.00 -1.71 0.00 0.00 55.69 55.70 2wa9 s MET 27 Cb -0.57 -2.99 0.02 0.00 2.01 0.00 0.00 34.83 33.29 2wa9 s MET 27 CO 0.44 0.49 -0.12 0.71 -0.01 0.00 0.00 175.02 176.52 2wa9 s TYR 28 N -1.39 1.60 0.10 -0.03 1.51 0.60 -1.72 117.35 118.02 2wa9 s TYR 28 Ca 0.38 -0.66 -0.31 0.00 -1.01 0.00 0.00 57.07 55.46 2wa9 s TYR 28 Cb -0.17 -1.19 -0.09 0.00 -0.11 0.00 0.00 41.96 40.41 2wa9 s TYR 28 CO 0.20 -0.36 1.59 0.15 -1.11 0.00 0.00 175.55 176.02 2wa9 s LYS 29 N 0.89 4.22 -0.43 -0.62 1.02 0.17 -0.98 119.74 124.01 2wa9 s LYS 29 Ca -0.10 2.30 -0.15 0.00 0.02 0.00 0.00 55.97 58.04 2wa9 s LYS 29 Cb -0.15 -3.41 0.04 0.00 -0.52 0.00 0.00 37.83 33.79 2wa9 s LYS 29 CO 0.01 -0.65 0.32 0.08 -0.92 0.00 0.00 175.35 174.19 2wa9 s VAL 30 N 1.95 5.20 -0.05 3.17 1.01 0.62 -2.46 120.40 129.84 2wa9 s VAL 30 Ca 0.71 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.89 2wa9 s VAL 30 Cb -0.40 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 31.98 2wa9 s VAL 30 CO 0.31 -0.39 -0.01 -0.63 0.00 0.00 0.00 175.10 174.38 2wa9 s ILE 31 N 1.66 4.13 -0.21 2.22 1.01 -0.62 -0.37 121.20 129.02 2wa9 s ILE 31 Ca 0.05 -0.44 -0.03 0.00 0.00 0.00 0.00 60.65 60.22 2wa9 s ILE 31 Cb -0.21 -2.77 -0.01 0.00 0.01 0.00 0.00 42.46 39.48 2wa9 s ILE 31 CO 0.09 0.51 -0.05 -0.22 0.00 0.00 0.00 174.94 175.26 2wa9 s LEU 32 N -1.16 2.89 -0.11 2.97 2.96 -0.41 -0.19 118.68 125.64 2wa9 s LEU 32 Ca 0.16 -0.37 -0.04 0.00 -0.22 0.00 0.00 54.13 53.65 2wa9 s LEU 32 Cb -0.11 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 2wa9 s LEU 32 CO 0.05 0.01 0.06 -0.69 -1.32 0.00 0.00 176.35 174.46 2wa9 s VAL 33 N 1.30 4.80 0.36 1.68 1.01 -0.11 -1.86 120.40 127.59 2wa9 s VAL 33 Ca 0.04 -0.06 -0.27 0.00 0.00 0.00 0.00 61.98 61.69 2wa9 s VAL 33 Cb -0.14 -3.07 -0.09 0.00 0.00 0.00 0.00 36.38 33.08 2wa9 s VAL 33 CO -0.02 0.59 1.21 0.21 0.00 0.00 0.00 175.10 177.09 2wa9 s ASN 34 N -0.75 6.67 0.01 3.32 2.47 -0.90 -4.08 114.94 121.69 2wa9 s ASN 34 Ca 0.12 2.47 -0.11 0.00 0.42 0.00 0.00 52.86 55.77 2wa9 s ASN 34 Cb -0.12 -2.63 0.01 0.00 -1.45 0.00 0.00 41.25 37.06 2wa9 s ASN 34 CO 0.03 -0.58 0.22 1.51 -3.72 0.00 0.00 177.10 174.55 2wa9 s ASP 35 N -0.86 -0.04 0.00 -4.21 1.47 -1.26 -4.98 116.67 106.79 2wa9 s ASP 35 Ca 0.53 -0.18 0.11 0.00 1.18 0.00 0.00 52.55 54.18 2wa9 s ASP 35 Cb -0.34 0.28 0.65 0.00 -0.34 0.00 0.00 42.92 43.16 2wa9 s ASP 35 CO 0.44 -0.48 1.08 0.47 0.68 0.00 0.00 175.17 177.36 2wa9 n ASP 36 N 1.06 0.00 0.00 2.11 8.00 -1.26 -3.88 116.55 122.58 2wa9 n ASP 36 Ca -0.21 -0.58 0.00 0.00 0.71 0.00 0.00 54.79 54.71 2wa9 n ASP 36 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.67 2wa9 n ASP 36 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2wa9 n TYR 37 N -0.87 0.00 -2.06 1.24 4.01 -1.26 -4.98 117.16 113.24 2wa9 n TYR 37 Ca 0.08 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.40 2wa9 n TYR 37 Cb 0.04 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.04 2wa9 n TYR 37 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2wa9 s THR 38 N -1.93 3.63 0.50 -0.72 2.01 -1.25 -4.97 115.64 112.91 2wa9 s THR 38 Ca 0.00 0.73 -0.20 0.00 0.31 0.00 0.00 61.69 62.53 2wa9 s THR 38 Cb 0.00 -3.60 -0.10 0.00 0.01 0.00 0.00 72.50 68.81 2wa9 s THR 38 CO 0.00 -0.20 0.56 -2.65 -0.69 0.00 0.00 174.62 171.63 2wa9 n PRO 39 N 7.53 0.59 0.02 4.92 -0.02 -1.26 -4.89 135.00 141.89 2wa9 n PRO 39 Ca 0.19 0.22 -0.07 0.00 -2.02 0.00 0.00 63.50 61.82 2wa9 n PRO 39 Cb 0.44 -1.64 0.12 0.00 -0.02 0.00 0.00 33.50 32.40 2wa9 n PRO 39 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 2wa9 h MET 40 N 0.55 0.47 -0.88 -0.52 2.86 -2.00 -2.74 114.93 112.68 2wa9 h MET 40 Ca -0.43 -0.26 0.09 0.00 -2.06 0.00 0.00 59.70 57.04 2wa9 h MET 40 Cb 1.40 0.01 -0.07 0.00 0.06 0.00 0.00 31.60 33.00 2wa9 h MET 40 CO 0.49 0.83 0.53 0.93 1.06 0.00 0.00 176.91 180.75 2wa9 h GLU 41 N 0.38 0.88 -0.27 1.72 4.39 -1.99 -1.64 114.58 118.04 2wa9 h GLU 41 Ca 0.02 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.62 2wa9 h GLU 41 Cb 0.95 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.39 2wa9 h GLU 41 CO 0.08 0.58 -0.05 0.35 -1.16 0.00 0.00 179.01 178.82 2wa9 h PHE 42 N 0.90 0.57 -0.97 4.33 3.57 -1.85 0.31 116.94 123.79 2wa9 h PHE 42 Ca 0.41 -0.12 0.06 0.00 3.53 0.00 0.00 57.97 61.85 2wa9 h PHE 42 Cb 0.32 -0.14 -0.07 0.00 2.79 0.00 0.00 35.95 38.85 2wa9 h PHE 42 CO -0.04 0.70 0.63 0.28 -2.23 0.00 0.00 178.31 177.65 2wa9 h VAL 43 N 0.27 1.09 -0.65 1.41 2.07 -1.29 0.50 116.25 119.64 2wa9 h VAL 43 Ca 0.07 -0.39 -0.08 0.00 0.82 0.00 0.00 66.70 67.11 2wa9 h VAL 43 Cb 0.51 -0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.09 2wa9 h VAL 43 CO 0.02 0.21 0.08 0.40 0.02 0.00 0.00 177.57 178.30 2wa9 h ILE 44 N 1.14 1.26 0.12 4.57 2.04 -0.67 -1.36 117.51 124.62 2wa9 h ILE 44 Ca 0.42 -1.07 0.02 0.00 1.00 0.00 0.00 64.86 65.23 2wa9 h ILE 44 Cb 0.15 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 36.86 2wa9 h ILE 44 CO -0.17 0.40 -0.35 -0.78 0.00 0.00 0.00 178.15 177.26 2wa9 h ASP 45 N 1.02 -1.00 -0.71 1.72 3.58 0.93 -1.71 116.42 120.25 2wa9 h ASP 45 Ca 0.20 0.11 0.16 0.00 0.42 0.00 0.00 57.03 57.92 2wa9 h ASP 45 Cb 0.47 0.38 -0.12 0.00 1.72 0.00 0.00 39.33 41.78 2wa9 h ASP 45 CO 0.02 -0.43 0.06 0.58 -2.88 0.00 0.00 179.24 176.59 2wa9 h VAL 46 N -0.58 0.44 -0.02 2.25 2.07 -0.74 -0.25 116.25 119.42 2wa9 h VAL 46 Ca 0.03 -0.05 -0.14 0.00 0.82 0.00 0.00 66.70 67.35 2wa9 h VAL 46 Cb 0.61 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 2wa9 h VAL 46 CO -0.20 0.03 -0.64 -0.07 0.02 0.00 0.00 177.57 176.71 2wa9 h LEU 47 N 0.16 0.11 -0.17 2.57 3.38 -0.93 -0.87 115.31 119.56 2wa9 h LEU 47 Ca 0.39 -0.07 -0.21 0.00 0.09 0.00 0.00 57.88 58.08 2wa9 h LEU 47 Cb 0.67 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 2wa9 h LEU 47 CO -0.58 0.72 -0.96 1.56 0.09 0.00 0.00 178.44 179.28 2wa9 h GLN 48 N 0.07 0.19 0.10 1.13 4.20 -0.74 -2.79 115.11 117.27 2wa9 h GLN 48 Ca -0.01 -0.24 -0.32 0.00 0.06 0.00 0.00 58.65 58.15 2wa9 h GLN 48 Cb 1.14 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.98 2wa9 h GLN 48 CO 0.09 1.01 -1.68 -0.22 -0.67 0.00 0.00 178.83 177.36 2wa9 h LYS 49 N 0.09 0.21 -0.00 1.46 3.64 -0.78 -3.19 116.57 118.00 2wa9 h LYS 49 Ca -0.06 -0.37 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 2wa9 h LYS 49 Cb 1.62 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.58 2wa9 h LYS 49 CO 0.15 1.04 -0.05 1.19 -2.27 0.00 0.00 179.45 179.50 2wa9 n PHE 50 N -3.39 0.00 -0.31 1.91 3.72 -0.36 -4.62 117.46 114.41 2wa9 n PHE 50 Ca -0.20 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.20 2wa9 n PHE 50 Cb 1.05 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.59 2wa9 n PHE 50 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2wa9 n PHE 51 N -0.10 0.00 -2.09 1.38 3.01 -1.07 -5.02 117.46 113.57 2wa9 n PHE 51 Ca 0.02 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.33 2wa9 n PHE 51 Cb 0.10 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.55 2wa9 n PHE 51 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2wa9 n SER 52 N -0.19 -4.49 -4.76 4.37 7.64 -1.10 -4.97 113.62 110.12 2wa9 n SER 52 Ca 0.00 0.21 -0.35 0.00 1.01 0.00 0.00 58.87 59.73 2wa9 n SER 52 Cb 0.08 -3.88 0.03 0.00 -1.01 0.00 0.00 64.21 59.43 2wa9 n SER 52 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2wa9 s TYR 53 N -2.62 2.51 0.62 1.43 2.02 -1.09 -5.00 117.35 115.20 2wa9 s TYR 53 Ca 0.00 1.53 -0.09 0.00 -0.37 0.00 0.00 57.07 58.15 2wa9 s TYR 53 Cb 0.00 -3.38 -0.01 0.00 -0.40 0.00 0.00 41.96 38.18 2wa9 s TYR 53 CO 0.00 -1.93 0.98 0.16 -1.57 0.00 0.00 175.55 173.19 2wa9 s ASP 54 N -1.78 5.81 0.26 2.29 -4.77 -1.26 -4.40 116.67 112.82 2wa9 s ASP 54 Ca 0.74 1.06 -0.01 0.00 -3.30 0.00 0.00 52.55 51.04 2wa9 s ASP 54 Cb -0.27 -2.05 0.55 0.00 -1.09 0.00 0.00 42.92 40.06 2wa9 s ASP 54 CO 0.32 -1.03 1.72 0.58 0.70 0.00 0.00 175.17 177.46 2wa9 h VAL 55 N -0.30 0.61 0.22 2.11 2.07 -1.97 -0.87 116.25 118.12 2wa9 h VAL 55 Ca -0.45 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 66.91 2wa9 h VAL 55 Cb 1.23 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 2wa9 h VAL 55 CO 0.62 0.08 -0.35 -0.33 0.02 0.00 0.00 177.57 177.62 2wa9 h GLU 56 N 0.46 -0.58 -0.96 1.57 5.08 -2.01 -2.44 114.58 115.71 2wa9 h GLU 56 Ca 0.47 0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.88 2wa9 h GLU 56 Cb 0.76 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 30.09 2wa9 h GLU 56 CO -0.44 -0.38 0.63 0.00 -1.00 0.00 0.00 179.01 177.82 2wa9 h ARG 57 N -0.60 1.25 -0.93 2.33 2.47 -1.84 -1.96 114.38 115.10 2wa9 h ARG 57 Ca -0.03 -0.08 0.18 0.00 -1.26 0.00 0.00 59.98 58.80 2wa9 h ARG 57 Cb 0.55 -0.28 -0.11 0.00 -1.65 0.00 0.00 29.97 28.48 2wa9 h ARG 57 CO -0.11 0.83 0.50 0.00 0.56 0.00 0.00 179.97 181.75 2wa9 h ALA 58 N 1.36 1.48 -0.27 0.04 0.00 -1.09 -1.82 119.26 118.96 2wa9 h ALA 58 Ca 0.36 0.10 -0.17 0.00 0.00 0.00 0.00 54.91 55.19 2wa9 h ALA 58 Cb -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2wa9 h ALA 58 CO -0.08 -0.13 -0.51 1.15 0.00 0.00 0.00 179.25 179.68 2wa9 h THR 59 N 0.64 1.28 -0.07 0.00 2.02 -0.85 -0.07 112.91 115.86 2wa9 h THR 59 Ca 0.54 -1.70 0.03 0.00 0.77 0.00 0.00 66.41 66.05 2wa9 h THR 59 Cb 0.85 1.68 -0.06 0.00 -1.74 0.00 0.00 68.15 68.88 2wa9 h THR 59 CO -0.41 0.55 -0.45 1.56 0.37 0.00 0.00 175.52 177.14 2wa9 h GLN 60 N 0.59 -0.54 -0.66 6.66 7.50 -1.29 0.36 115.11 127.73 2wa9 h GLN 60 Ca 0.01 0.04 0.04 0.00 0.50 0.00 0.00 58.65 59.24 2wa9 h GLN 60 Cb 1.12 0.12 -0.05 0.00 0.05 0.00 0.00 27.48 28.73 2wa9 h GLN 60 CO 0.11 -0.36 0.39 -0.07 -1.50 0.00 0.00 178.83 177.41 2wa9 h LEU 61 N -0.56 0.62 -0.13 1.46 4.07 -1.32 -0.84 115.31 118.61 2wa9 h LEU 61 Ca 0.05 0.01 0.04 0.00 0.08 0.00 0.00 57.88 58.06 2wa9 h LEU 61 Cb 0.66 -0.12 -0.04 0.00 1.08 0.00 0.00 40.66 42.24 2wa9 h LEU 61 CO -0.37 0.42 -0.10 -0.03 -1.08 0.00 0.00 178.44 177.28 2wa9 h MET 62 N 0.76 -0.11 -0.64 1.13 4.05 -0.67 0.19 114.93 119.64 2wa9 h MET 62 Ca 0.27 0.01 0.10 0.00 -0.28 0.00 0.00 59.70 59.80 2wa9 h MET 62 Cb 0.08 0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 30.86 2wa9 h MET 62 CO -0.13 -0.07 0.43 -0.07 0.23 0.00 0.00 176.91 177.29 2wa9 h LEU 63 N -0.12 0.41 -0.12 3.39 -0.00 -0.58 -0.70 115.31 117.60 2wa9 h LEU 63 Ca 0.09 0.01 -0.02 0.00 -0.00 0.00 0.00 57.88 57.95 2wa9 h LEU 63 Cb 0.24 -0.08 -0.00 0.00 -0.00 0.00 0.00 40.66 40.82 2wa9 h LEU 63 CO -0.20 0.25 -0.02 0.00 -0.00 0.00 0.00 178.44 178.46 2wa9 h ALA 64 N 1.68 0.16 -0.71 1.53 0.00 0.19 0.41 119.26 122.53 2wa9 h ALA 64 Ca 0.29 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.01 2wa9 h ALA 64 Cb 0.54 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 2wa9 h ALA 64 CO -0.09 -0.11 0.45 0.28 0.00 0.00 0.00 179.25 179.79 2wa9 h VAL 65 N -0.09 1.13 -0.44 0.00 2.07 -0.20 0.87 116.25 119.59 2wa9 h VAL 65 Ca 0.03 -0.31 -0.04 0.00 0.82 0.00 0.00 66.70 67.20 2wa9 h VAL 65 Cb 0.43 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 2wa9 h VAL 65 CO 0.01 0.17 0.10 -0.74 0.02 0.00 0.00 177.57 177.13 2wa9 h HIS 66 N 0.90 0.75 0.00 1.57 6.17 -0.91 -1.89 115.15 121.75 2wa9 h HIS 66 Ca 0.27 -0.09 -0.37 0.00 0.71 0.00 0.00 60.37 60.90 2wa9 h HIS 66 Cb -0.04 -0.21 -0.07 0.00 2.52 0.00 0.00 27.41 29.61 2wa9 h HIS 66 CO -0.03 0.69 -2.35 0.66 0.71 0.00 0.00 177.93 177.61 2wa9 n TYR 67 N -4.51 0.07 0.07 5.26 4.01 0.12 -4.33 117.16 117.84 2wa9 n TYR 67 Ca 0.00 0.02 0.10 0.00 -0.16 0.00 0.00 57.90 57.86 2wa9 n TYR 67 Cb 0.22 -1.01 -0.04 0.00 -0.31 0.00 0.00 39.34 38.19 2wa9 n TYR 67 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2wa9 n GLN 68 N -2.78 0.62 -0.02 -0.72 6.02 0.29 -4.98 117.38 115.80 2wa9 n GLN 68 Ca -0.32 0.07 0.00 0.00 -0.01 0.00 0.00 57.00 56.74 2wa9 n GLN 68 Cb 1.15 -1.76 0.00 0.00 1.02 0.00 0.00 30.24 30.64 2wa9 n GLN 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wa9 n GLY 69 N 1.23 0.30 3.63 1.08 0.00 -0.71 -5.02 105.19 105.70 2wa9 n GLY 69 Ca -0.02 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.96 2wa9 n GLY 69 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wa9 s LYS 70 N -0.92 0.14 -0.11 1.61 -2.85 -1.21 -2.11 119.74 114.28 2wa9 s LYS 70 Ca 0.00 -0.02 -0.06 0.00 -1.00 0.00 0.00 55.97 54.89 2wa9 s LYS 70 Cb 0.00 0.07 0.04 0.00 -2.06 0.00 0.00 37.83 35.88 2wa9 s LYS 70 CO 0.00 -0.06 0.27 0.00 0.10 0.00 0.00 175.35 175.66 2wa9 s ALA 71 N -1.73 -0.63 -0.42 0.59 0.00 -0.77 -4.26 121.76 114.54 2wa9 s ALA 71 Ca 0.09 1.03 -0.29 0.00 0.00 0.00 0.00 51.96 52.80 2wa9 s ALA 71 Cb -0.01 -0.64 0.00 0.00 0.00 0.00 0.00 23.12 22.47 2wa9 s ALA 71 CO -0.05 -0.20 1.51 0.42 0.00 0.00 0.00 175.76 177.45 2wa9 s ILE 72 N 1.13 3.78 0.01 0.00 1.01 -1.26 -1.29 121.20 124.57 2wa9 s ILE 72 Ca -0.08 0.77 -0.21 0.00 0.00 0.00 0.00 60.65 61.13 2wa9 s ILE 72 Cb -0.09 -4.09 -0.20 0.00 0.01 0.00 0.00 42.46 38.09 2wa9 s ILE 72 CO -0.08 -0.73 1.18 0.00 0.00 0.00 0.00 174.94 175.31 2wa9 s GLY 74 N -3.81 -0.32 -0.13 0.00 0.00 -1.20 -5.02 107.32 96.84 2wa9 s GLY 74 Ca -0.14 0.04 0.02 0.00 0.00 0.00 0.00 44.72 44.64 2wa9 s GLY 74 CO 0.78 0.02 -0.18 0.14 0.00 0.00 0.00 173.10 173.86 2wa9 s VAL 75 N -3.84 1.76 0.33 1.40 1.01 -1.26 -0.28 120.40 119.51 2wa9 s VAL 75 Ca 0.07 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.29 2wa9 s VAL 75 Cb -0.04 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 2wa9 s VAL 75 CO -0.02 0.49 0.15 -0.36 0.00 0.00 0.00 175.10 175.36 2wa9 s PHE 76 N 0.99 1.67 0.61 5.22 0.40 -0.15 -4.91 117.98 121.80 2wa9 s PHE 76 Ca -0.05 -1.33 -0.11 0.00 -0.60 0.00 0.00 56.93 54.85 2wa9 s PHE 76 Cb -0.15 -0.95 -0.04 0.00 0.51 0.00 0.00 43.02 42.39 2wa9 s PHE 76 CO -0.03 -0.44 1.01 0.95 0.70 0.00 0.00 175.22 177.40 2wa9 s THR 77 N -3.50 4.72 0.11 0.64 -4.23 -1.26 0.22 115.64 112.34 2wa9 s THR 77 Ca 0.34 0.83 -0.21 0.00 -1.18 0.00 0.00 61.69 61.47 2wa9 s THR 77 Cb 0.05 -3.87 -0.05 0.00 1.34 0.00 0.00 72.50 69.98 2wa9 s THR 77 CO 0.17 -1.11 1.30 0.00 -0.54 0.00 0.00 174.62 174.44 2wa9 n ALA 78 N -2.67 -0.43 -0.12 3.99 0.00 -0.97 -0.82 120.51 119.48 2wa9 n ALA 78 Ca 0.06 0.57 -0.08 0.00 0.00 0.00 0.00 53.44 53.98 2wa9 n ALA 78 Cb 0.54 0.04 -0.00 0.00 0.00 0.00 0.00 19.45 20.03 2wa9 n ALA 78 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2wa9 h GLU 79 N 0.00 0.51 -0.85 0.00 5.08 -1.94 -1.22 114.58 116.16 2wa9 h GLU 79 Ca 0.11 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2wa9 h GLU 79 Cb 0.27 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 2wa9 h GLU 79 CO -0.63 0.37 0.51 0.28 -1.00 0.00 0.00 179.01 178.53 2wa9 h VAL 80 N 0.50 1.24 -0.39 3.13 2.07 -1.85 -1.97 116.25 118.99 2wa9 h VAL 80 Ca 0.14 -0.53 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 2wa9 h VAL 80 Cb -0.02 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 29.79 2wa9 h VAL 80 CO -0.03 0.25 0.12 0.00 0.02 0.00 0.00 177.57 177.93 2wa9 h ALA 81 N 1.27 0.51 0.13 1.67 0.00 -0.44 -1.87 119.26 120.52 2wa9 h ALA 81 Ca 0.30 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.06 2wa9 h ALA 81 Cb -0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2wa9 h ALA 81 CO -0.06 0.15 -0.18 0.93 0.00 0.00 0.00 179.25 180.10 2wa9 h GLU 82 N 0.48 -0.35 -0.89 0.00 5.08 -1.07 -0.72 114.58 117.10 2wa9 h GLU 82 Ca 0.12 0.02 0.21 0.00 -1.00 0.00 0.00 59.36 58.72 2wa9 h GLU 82 Cb 0.26 0.08 -0.12 0.00 0.50 0.00 0.00 28.75 29.47 2wa9 h GLU 82 CO -0.00 -0.23 0.40 1.15 -1.00 0.00 0.00 179.01 179.32 2wa9 h THR 83 N -0.36 0.51 0.30 1.13 2.02 -1.26 -1.82 112.91 113.43 2wa9 h THR 83 Ca 0.02 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 2wa9 h THR 83 Cb 0.37 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 2wa9 h THR 83 CO -0.08 0.08 -0.14 0.11 0.37 0.00 0.00 175.52 175.85 2wa9 h LYS 84 N 0.43 -0.39 -0.09 6.66 1.79 -0.88 -1.30 116.57 122.80 2wa9 h LYS 84 Ca 0.54 0.03 0.02 0.00 -2.18 0.00 0.00 60.65 59.06 2wa9 h LYS 84 Cb 1.00 0.09 -0.05 0.00 -1.58 0.00 0.00 32.23 31.69 2wa9 h LYS 84 CO -0.51 -0.05 -0.42 0.28 -1.08 0.00 0.00 179.45 177.68 2wa9 h VAL 85 N -0.86 0.00 -0.79 0.50 2.07 -0.95 0.37 116.25 116.59 2wa9 h VAL 85 Ca -0.04 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.66 2wa9 h VAL 85 Cb 0.52 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.24 2wa9 h VAL 85 CO 0.07 0.00 0.54 0.00 0.02 0.00 0.00 177.57 178.19 2wa9 h ALA 86 N -0.58 2.26 -0.00 1.67 0.00 -1.42 0.56 119.26 121.75 2wa9 h ALA 86 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2wa9 h ALA 86 Cb 0.53 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2wa9 h ALA 86 CO -0.33 -0.49 -0.00 1.98 0.00 0.00 0.00 179.25 180.41 2wa9 h MET 87 N 0.32 0.00 -0.68 0.00 -1.53 0.06 -1.77 114.93 111.34 2wa9 h MET 87 Ca 0.40 -0.00 -0.05 0.00 -3.44 0.00 0.00 59.70 56.60 2wa9 h MET 87 Cb 1.06 0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 32.08 2wa9 h MET 87 CO -0.11 0.51 0.21 0.28 0.14 0.00 0.00 176.91 177.94 2wa9 h VAL 88 N -0.51 1.25 -0.22 -5.77 2.07 0.50 -1.38 116.25 112.20 2wa9 h VAL 88 Ca 0.00 -0.87 -0.15 0.00 0.82 0.00 0.00 66.70 66.50 2wa9 h VAL 88 Cb 0.51 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 2wa9 h VAL 88 CO 0.00 0.34 -0.48 0.78 0.02 0.00 0.00 177.57 178.23 2wa9 h ASN 89 N 1.01 0.62 0.20 0.57 2.35 -0.95 -2.14 115.58 117.24 2wa9 h ASN 89 Ca 0.22 -0.30 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 2wa9 h ASN 89 Cb 0.29 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.49 2wa9 h ASN 89 CO -0.01 1.00 -0.10 0.50 -1.65 0.00 0.00 177.43 177.18 2wa9 h LYS 90 N 0.46 -0.26 -0.47 0.81 1.63 -0.91 -2.00 116.57 115.83 2wa9 h LYS 90 Ca 0.02 0.02 0.04 0.00 -0.85 0.00 0.00 60.65 59.88 2wa9 h LYS 90 Cb 1.00 0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 32.67 2wa9 h LYS 90 CO 0.09 -0.04 0.32 -0.92 -3.45 0.00 0.00 179.45 175.45 2wa9 h TYR 91 N -0.44 0.48 -0.07 1.91 3.20 -1.24 -1.73 116.97 119.09 2wa9 h TYR 91 Ca -0.03 0.01 -0.23 0.00 3.14 0.00 0.00 58.73 61.62 2wa9 h TYR 91 Cb 0.34 -0.16 0.02 0.00 1.54 0.00 0.00 36.73 38.46 2wa9 h TYR 91 CO -0.01 0.28 -0.87 0.00 -1.64 0.00 0.00 178.16 175.92 2wa9 h ALA 92 N 1.73 0.19 -0.38 1.82 0.00 -1.26 -2.74 119.26 118.62 2wa9 h ALA 92 Ca 0.19 -0.64 -0.12 0.00 0.00 0.00 0.00 54.91 54.35 2wa9 h ALA 92 Cb 0.15 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2wa9 h ALA 92 CO -0.05 0.63 -0.24 0.00 0.00 0.00 0.00 179.25 179.59 2wa9 h ARG 93 N 0.39 0.77 0.00 0.00 2.47 -0.88 0.88 114.38 118.01 2wa9 h ARG 93 Ca -0.09 -0.32 -0.09 0.00 -1.26 0.00 0.00 59.98 58.22 2wa9 h ARG 93 Cb 1.51 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 29.79 2wa9 h ARG 93 CO 0.17 0.94 -0.41 1.05 0.56 0.00 0.00 179.97 182.28 2wa9 h GLU 94 N 0.67 0.00 -0.34 0.04 4.11 -1.36 -1.75 114.58 115.95 2wa9 h GLU 94 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.52 2wa9 h GLU 94 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2wa9 h GLU 94 CO 0.06 0.41 0.00 0.09 0.07 0.00 0.00 179.01 179.64 2wa9 n ASN 95 N -3.49 2.24 -2.31 3.06 3.02 -1.04 -4.94 115.26 111.82 2wa9 n ASN 95 Ca 0.00 -1.89 -0.16 0.00 -0.03 0.00 0.00 54.58 52.50 2wa9 n ASN 95 Cb 0.55 -0.22 0.03 0.00 -0.61 0.00 0.00 39.78 39.53 2wa9 n ASN 95 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2wa9 n GLU 96 N 0.71 -3.96 -4.39 3.52 1.02 -0.53 -5.01 120.64 112.00 2wa9 n GLU 96 Ca 0.16 0.64 -0.30 0.00 -0.02 0.00 0.00 57.16 57.63 2wa9 n GLU 96 Cb 0.39 -4.95 -0.11 0.00 -0.02 0.00 0.00 31.44 26.75 2wa9 n GLU 96 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2wa9 s HIS 97 N -3.04 2.67 -2.00 -0.32 3.76 0.19 -5.02 115.29 111.54 2wa9 s HIS 97 Ca 0.26 -0.19 0.06 0.00 -0.15 0.00 0.00 55.06 55.04 2wa9 s HIS 97 Cb -0.11 -1.45 0.17 0.00 1.11 0.00 0.00 32.58 32.29 2wa9 s HIS 97 CO 0.32 0.37 1.14 -0.35 -0.85 0.00 0.00 174.74 175.37 2wa9 n PRO 98 N 1.06 1.44 -1.67 8.40 -0.04 -1.26 -4.07 135.00 138.84 2wa9 n PRO 98 Ca -0.15 -0.68 -0.52 0.00 -0.04 0.00 0.00 63.50 62.12 2wa9 n PRO 98 Cb 0.52 -1.15 -0.06 0.00 -0.04 0.00 0.00 33.50 32.78 2wa9 n PRO 98 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2wa9 n LEU 99 N 0.05 3.01 -4.64 1.53 7.94 -1.26 -4.94 117.00 118.70 2wa9 n LEU 99 Ca 0.06 0.95 -0.37 0.00 -1.11 0.00 0.00 56.01 55.55 2wa9 n LEU 99 Cb 0.16 -1.29 -0.10 0.00 0.53 0.00 0.00 43.42 42.72 2wa9 n LEU 99 CO 0.04 -0.23 -0.14 -0.22 -1.11 0.00 0.00 177.39 175.74 2wa9 s LEU 100 N 4.23 4.09 -0.15 -1.96 1.98 -1.26 -4.83 118.68 120.78 2wa9 s LEU 100 Ca 0.96 0.12 0.01 0.00 -2.89 0.00 0.00 54.13 52.33 2wa9 s LEU 100 Cb -0.82 -2.16 0.00 0.00 0.66 0.00 0.00 46.19 43.87 2wa9 s LEU 100 CO 0.56 0.01 -0.17 0.00 -1.89 0.00 0.00 176.35 174.86 2wa9 s THR 102 N 0.80 1.06 0.16 0.00 -1.32 0.74 -4.88 115.64 112.21 2wa9 s THR 102 Ca -0.06 -2.00 0.08 0.00 -1.21 0.00 0.00 61.69 58.50 2wa9 s THR 102 Cb -0.15 -2.52 -0.04 0.00 -1.51 0.00 0.00 72.50 68.27 2wa9 s THR 102 CO -0.00 0.00 -0.09 -0.76 -2.21 0.00 0.00 174.62 171.56 2wa9 s LEU 103 N -3.64 3.03 -0.28 9.08 1.43 -1.26 -1.58 118.68 125.45 2wa9 s LEU 103 Ca 0.25 -0.50 -0.18 0.00 -1.03 0.00 0.00 54.13 52.67 2wa9 s LEU 103 Cb 0.05 -1.74 0.10 0.00 0.03 0.00 0.00 46.19 44.63 2wa9 s LEU 103 CO 0.13 0.12 0.78 -0.70 0.23 0.00 0.00 176.35 176.91 2wa9 s GLU 104 N -2.67 0.64 -0.55 1.70 2.56 -1.03 -4.96 118.70 114.39 2wa9 s GLU 104 Ca 0.24 1.04 -0.28 0.00 0.00 0.00 0.00 54.97 55.97 2wa9 s GLU 104 Cb -0.09 0.17 0.02 0.00 2.00 0.00 0.00 34.13 36.22 2wa9 s GLU 104 CO 0.15 -0.12 1.34 0.21 -0.56 0.00 0.00 175.26 176.27 2wa9 s LYS 105 N 1.33 3.41 0.00 4.30 2.47 -1.26 0.42 119.74 130.41 2wa9 s LYS 105 Ca -0.08 0.44 0.00 0.00 -1.56 0.00 0.00 55.97 54.78 2wa9 s LYS 105 Cb -0.05 -4.07 0.00 0.00 -1.46 0.00 0.00 37.83 32.25 2wa9 s LYS 105 CO -0.15 -1.80 0.00 0.00 0.16 0.00 0.00 175.35 173.56 2wa9 n ALA 106 N 9.08 0.00 0.00 3.13 0.00 -0.70 -4.89 120.51 127.14 2wa9 n ALA 106 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2wa9 n ALA 106 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 2wa9 n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wa9 n GLY 107 N 0.00 1.86 0.00 0.00 0.00 -1.26 -5.01 105.19 100.77 2wa9 n GLY 107 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wa9 n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32