#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wa9 n PRO 24 N 0.00 0.67 -2.73 1.97 -0.04 -1.26 -5.14 135.00 128.47 2wa9 n PRO 24 Ca 0.00 -2.74 -0.43 0.00 -0.04 0.00 0.00 63.50 60.29 2wa9 n PRO 24 Cb 0.00 1.46 -0.03 0.00 -0.04 0.00 0.00 33.50 34.89 2wa9 n PRO 24 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 2wa9 s PRO 25 N -3.24 3.79 -0.70 0.54 0.02 -1.26 -4.98 135.00 129.18 2wa9 s PRO 25 Ca 0.16 0.58 -0.30 0.00 0.02 0.00 0.00 61.00 61.46 2wa9 s PRO 25 Cb 0.01 -3.84 -0.14 0.00 0.02 0.00 0.00 34.50 30.54 2wa9 s PRO 25 CO 0.11 -1.11 2.51 0.43 -0.33 0.00 0.00 177.00 178.62 2wa9 n SER 26 N 7.15 1.36 -4.80 2.53 7.64 -1.26 -4.91 113.62 121.33 2wa9 n SER 26 Ca 0.09 -0.07 -0.37 0.00 1.01 0.00 0.00 58.87 59.53 2wa9 n SER 26 Cb 0.48 -1.24 -0.06 0.00 -1.01 0.00 0.00 64.21 62.38 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 8.30 4.40 -0.07 1.43 -1.94 -1.26 -2.08 119.30 128.08 2wa9 s MET 27 Ca 1.17 1.05 -0.00 0.00 -1.71 0.00 0.00 55.69 56.20 2wa9 s MET 27 Cb -0.77 -2.91 0.02 0.00 2.01 0.00 0.00 34.83 33.18 2wa9 s MET 27 CO 0.40 0.39 -0.04 0.71 -0.01 0.00 0.00 175.02 176.46 2wa9 s TYR 28 N -1.50 0.94 0.12 -0.03 1.51 0.31 -3.44 117.35 115.26 2wa9 s TYR 28 Ca 0.44 -0.34 -0.31 0.00 -1.01 0.00 0.00 57.07 55.85 2wa9 s TYR 28 Cb -0.18 -0.87 -0.09 0.00 -0.11 0.00 0.00 41.96 40.71 2wa9 s TYR 28 CO 0.23 -0.32 1.62 0.15 -1.11 0.00 0.00 175.55 176.12 2wa9 s LYS 29 N 1.45 4.20 -0.42 -0.62 1.02 -1.26 -0.99 119.74 123.12 2wa9 s LYS 29 Ca -0.02 2.36 -0.13 0.00 0.02 0.00 0.00 55.97 58.19 2wa9 s LYS 29 Cb -0.13 -3.38 0.04 0.00 -0.52 0.00 0.00 37.83 33.84 2wa9 s LYS 29 CO -0.03 -0.68 0.29 0.08 -0.92 0.00 0.00 175.35 174.09 2wa9 s VAL 30 N 1.91 4.93 -0.03 3.17 1.01 0.65 -3.97 120.40 128.07 2wa9 s VAL 30 Ca 0.72 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.79 2wa9 s VAL 30 Cb -0.42 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.09 2wa9 s VAL 30 CO 0.32 -0.38 0.00 -0.63 0.00 0.00 0.00 175.10 174.41 2wa9 s ILE 31 N 1.60 4.22 -0.22 2.22 1.01 -0.50 0.11 121.20 129.65 2wa9 s ILE 31 Ca 0.04 -0.47 -0.04 0.00 0.00 0.00 0.00 60.65 60.18 2wa9 s ILE 31 Cb -0.21 -2.85 -0.01 0.00 0.01 0.00 0.00 42.46 39.41 2wa9 s ILE 31 CO 0.07 0.46 -0.04 -0.22 0.00 0.00 0.00 174.94 175.20 2wa9 s LEU 32 N -1.33 2.89 -0.13 2.97 2.96 -0.07 -0.14 118.68 125.84 2wa9 s LEU 32 Ca 0.17 -0.40 -0.06 0.00 -0.22 0.00 0.00 54.13 53.62 2wa9 s LEU 32 Cb -0.11 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 44.80 2wa9 s LEU 32 CO 0.08 -0.02 0.09 -0.69 -1.32 0.00 0.00 176.35 174.49 2wa9 s VAL 33 N 1.48 5.10 0.43 1.68 1.01 -0.43 -1.47 120.40 128.20 2wa9 s VAL 33 Ca 0.06 0.06 -0.24 0.00 0.00 0.00 0.00 61.98 61.85 2wa9 s VAL 33 Cb -0.14 -3.22 -0.08 0.00 0.00 0.00 0.00 36.38 32.94 2wa9 s VAL 33 CO -0.03 0.58 1.18 0.21 0.00 0.00 0.00 175.10 177.04 2wa9 s ASN 34 N -0.70 6.33 0.00 3.32 2.47 -0.84 -4.13 114.94 121.39 2wa9 s ASN 34 Ca 0.12 2.36 -0.17 0.00 0.42 0.00 0.00 52.86 55.59 2wa9 s ASN 34 Cb -0.12 -2.61 0.03 0.00 -1.45 0.00 0.00 41.25 37.10 2wa9 s ASN 34 CO 0.03 -0.81 0.36 1.51 -3.72 0.00 0.00 177.10 174.47 2wa9 s ASP 35 N -1.20 -0.24 0.00 -4.21 1.47 -1.26 -4.97 116.67 106.25 2wa9 s ASP 35 Ca 0.60 0.08 0.10 0.00 1.18 0.00 0.00 52.55 54.52 2wa9 s ASP 35 Cb -0.30 0.36 0.62 0.00 -0.34 0.00 0.00 42.92 43.25 2wa9 s ASP 35 CO 0.38 -0.53 1.11 0.47 0.68 0.00 0.00 175.17 177.27 2wa9 n ASP 36 N 0.99 0.00 0.00 2.11 8.00 -1.26 -3.96 116.55 122.44 2wa9 n ASP 36 Ca -0.20 -0.88 0.00 0.00 0.71 0.00 0.00 54.79 54.42 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 -0.77 0.00 -2.10 1.24 4.01 -1.26 -4.98 117.16 113.30 2wa9 n TYR 37 Ca 0.08 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.39 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 -2.00 3.74 0.54 -0.72 2.01 -1.25 -4.97 115.64 112.99 2wa9 s THR 38 Ca 0.00 0.88 -0.19 0.00 0.31 0.00 0.00 61.69 62.69 2wa9 s THR 38 Cb 0.00 -3.60 -0.09 0.00 0.01 0.00 0.00 72.50 68.82 2wa9 s THR 38 CO 0.00 -0.11 0.67 -2.65 -0.69 0.00 0.00 174.62 171.83 2wa9 n PRO 39 N 7.12 0.69 0.03 4.92 -0.02 -1.26 -4.91 135.00 141.56 2wa9 n PRO 39 Ca 0.17 0.26 -0.07 0.00 -2.02 0.00 0.00 63.50 61.84 2wa9 n PRO 39 Cb 0.44 -1.80 0.09 0.00 -0.02 0.00 0.00 33.50 32.20 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 0.50 0.46 -0.86 -0.52 2.86 -2.00 -2.77 114.93 112.61 2wa9 h MET 40 Ca -0.45 -0.28 0.09 0.00 -2.06 0.00 0.00 59.70 57.00 2wa9 h MET 40 Cb 1.39 0.03 -0.07 0.00 0.06 0.00 0.00 31.60 33.00 2wa9 h MET 40 CO 0.49 0.87 0.50 0.93 1.06 0.00 0.00 176.91 180.77 2wa9 h GLU 41 N 0.36 0.82 -0.50 1.72 4.39 -1.99 -1.44 114.58 117.94 2wa9 h GLU 41 Ca 0.01 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.61 2wa9 h GLU 41 Cb 1.04 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 29.48 2wa9 h GLU 41 CO 0.09 0.54 0.10 0.35 -1.16 0.00 0.00 179.01 178.93 2wa9 h PHE 42 N 0.84 0.86 -0.77 4.33 3.57 -1.86 0.28 116.94 124.19 2wa9 h PHE 42 Ca 0.41 -0.11 -0.02 0.00 3.53 0.00 0.00 57.97 61.77 2wa9 h PHE 42 Cb 0.36 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 2wa9 h PHE 42 CO -0.05 0.78 0.38 0.28 -2.23 0.00 0.00 178.31 177.47 2wa9 h VAL 43 N 0.70 1.24 -0.58 1.41 2.07 -1.27 0.12 116.25 119.93 2wa9 h VAL 43 Ca 0.15 -0.65 -0.03 0.00 0.82 0.00 0.00 66.70 66.99 2wa9 h VAL 43 Cb 0.37 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 2wa9 h VAL 43 CO 0.01 0.28 0.24 0.40 0.02 0.00 0.00 177.57 178.52 2wa9 h ILE 44 N 1.09 1.22 0.10 4.57 2.04 -0.64 -1.30 117.51 124.58 2wa9 h ILE 44 Ca 0.27 -0.69 0.02 0.00 1.00 0.00 0.00 64.86 65.46 2wa9 h ILE 44 Cb 0.09 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 36.72 2wa9 h ILE 44 CO -0.04 0.27 -0.33 -0.78 0.00 0.00 0.00 178.15 177.27 2wa9 h ASP 45 N 0.80 -0.97 -0.52 1.72 3.58 0.64 -1.37 116.42 120.31 2wa9 h ASP 45 Ca 0.19 0.11 0.10 0.00 0.42 0.00 0.00 57.03 57.86 2wa9 h ASP 45 Cb 0.19 0.37 -0.10 0.00 1.72 0.00 0.00 39.33 41.51 2wa9 h ASP 45 CO -0.02 -0.42 -0.21 0.58 -2.88 0.00 0.00 179.24 176.30 2wa9 h VAL 46 N -0.55 0.35 -0.21 2.25 2.07 -0.67 0.21 116.25 119.71 2wa9 h VAL 46 Ca 0.04 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.48 2wa9 h VAL 46 Cb 0.59 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 2wa9 h VAL 46 CO -0.21 0.00 -0.19 -0.07 0.02 0.00 0.00 177.57 177.12 2wa9 h LEU 47 N -0.09 0.35 -0.09 2.57 3.38 -0.80 -0.99 115.31 119.63 2wa9 h LEU 47 Ca 0.24 -0.10 -0.25 0.00 0.09 0.00 0.00 57.88 57.87 2wa9 h LEU 47 Cb 0.47 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.13 2wa9 h LEU 47 CO -0.58 0.56 -1.00 1.56 0.09 0.00 0.00 178.44 179.07 2wa9 h GLN 48 N 0.33 0.53 0.18 1.13 4.20 -0.75 -2.80 115.11 117.93 2wa9 h GLN 48 Ca 0.06 -0.58 -0.31 0.00 0.06 0.00 0.00 58.65 57.87 2wa9 h GLN 48 Cb 0.54 0.17 0.02 0.00 0.30 0.00 0.00 27.48 28.50 2wa9 h GLN 48 CO 0.04 1.21 -1.42 -0.22 -0.67 0.00 0.00 178.83 177.76 2wa9 h LYS 49 N 0.29 0.38 -0.00 1.46 3.64 -0.60 -3.10 116.57 118.64 2wa9 h LYS 49 Ca -0.11 -0.65 0.00 0.00 -1.27 0.00 0.00 60.65 58.62 2wa9 h LYS 49 Cb 1.65 0.24 0.00 0.00 -0.41 0.00 0.00 32.23 33.71 2wa9 h LYS 49 CO 0.18 1.30 -0.10 1.19 -2.27 0.00 0.00 179.45 179.75 2wa9 n PHE 50 N -3.59 0.00 -0.33 1.91 3.72 -0.41 -4.62 117.46 114.14 2wa9 n PHE 50 Ca -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 2wa9 n PHE 50 Cb 1.06 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.60 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 -0.22 0.00 -2.15 1.38 3.01 -1.09 -5.03 117.46 113.36 2wa9 n PHE 51 Ca 0.03 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.34 2wa9 n PHE 51 Cb 0.13 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.58 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 -0.18 -4.38 -4.77 4.37 7.64 -1.10 -4.96 113.62 110.23 2wa9 n SER 52 Ca 0.00 0.20 -0.34 0.00 1.01 0.00 0.00 58.87 59.74 2wa9 n SER 52 Cb 0.08 -3.77 0.02 0.00 -1.01 0.00 0.00 64.21 59.53 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 2.66 0.67 1.43 2.02 -1.08 -4.99 117.35 115.45 2wa9 s TYR 53 Ca 0.00 1.55 -0.10 0.00 -0.37 0.00 0.00 57.07 58.15 2wa9 s TYR 53 Cb 0.00 -3.22 0.01 0.00 -0.40 0.00 0.00 41.96 38.35 2wa9 s TYR 53 CO 0.00 -1.60 1.04 0.16 -1.57 0.00 0.00 175.55 173.58 2wa9 s ASP 54 N -2.18 5.48 0.28 2.29 -4.77 -1.26 -4.39 116.67 112.13 2wa9 s ASP 54 Ca 0.70 1.01 0.02 0.00 -3.30 0.00 0.00 52.55 50.97 2wa9 s ASP 54 Cb -0.22 -1.86 0.63 0.00 -1.09 0.00 0.00 42.92 40.38 2wa9 s ASP 54 CO 0.34 -1.26 1.77 0.58 0.70 0.00 0.00 175.17 177.29 2wa9 h VAL 55 N -0.52 0.71 0.36 2.11 2.07 -1.97 -1.17 116.25 117.85 2wa9 h VAL 55 Ca -0.45 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 2wa9 h VAL 55 Cb 1.25 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 2wa9 h VAL 55 CO 0.63 0.12 -0.27 -0.33 0.02 0.00 0.00 177.57 177.75 2wa9 h GLU 56 N 0.68 -0.58 -0.49 1.57 5.08 -2.01 -2.32 114.58 116.51 2wa9 h GLU 56 Ca 0.52 0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.99 2wa9 h GLU 56 Cb 0.77 0.13 -0.07 0.00 0.50 0.00 0.00 28.75 30.08 2wa9 h GLU 56 CO -0.38 -0.39 0.12 0.00 -1.00 0.00 0.00 179.01 177.36 2wa9 h ARG 57 N -0.60 0.26 -0.99 2.33 2.47 -1.87 -1.66 114.38 114.32 2wa9 h ARG 57 Ca -0.05 -0.02 0.28 0.00 -1.26 0.00 0.00 59.98 58.94 2wa9 h ARG 57 Cb 0.50 -0.06 -0.14 0.00 -1.65 0.00 0.00 29.97 28.62 2wa9 h ARG 57 CO 0.02 0.17 0.56 0.00 0.56 0.00 0.00 179.97 181.27 2wa9 h ALA 58 N 1.37 1.84 -0.29 0.04 0.00 -1.15 -0.39 119.26 120.68 2wa9 h ALA 58 Ca 0.24 0.17 -0.17 0.00 0.00 0.00 0.00 54.91 55.15 2wa9 h ALA 58 Cb 0.31 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2wa9 h ALA 58 CO -0.30 -0.44 -0.50 1.15 0.00 0.00 0.00 179.25 179.16 2wa9 h THR 59 N 0.42 1.28 0.14 0.00 2.02 -0.72 -0.61 112.91 115.44 2wa9 h THR 59 Ca 0.69 -1.69 0.01 0.00 0.77 0.00 0.00 66.41 66.19 2wa9 h THR 59 Cb 1.45 1.58 -0.05 0.00 -1.74 0.00 0.00 68.15 69.40 2wa9 h THR 59 CO -0.56 0.55 -0.50 1.56 0.37 0.00 0.00 175.52 176.95 2wa9 h GLN 60 N 0.64 -0.71 -0.97 6.66 7.50 -0.99 -0.09 115.11 127.15 2wa9 h GLN 60 Ca 0.03 0.05 0.03 0.00 0.50 0.00 0.00 58.65 59.26 2wa9 h GLN 60 Cb 1.08 0.16 -0.05 0.00 0.05 0.00 0.00 27.48 28.72 2wa9 h GLN 60 CO 0.11 -0.48 0.63 -0.07 -1.50 0.00 0.00 178.83 177.53 2wa9 h LEU 61 N -0.74 1.07 0.44 1.46 4.07 -1.35 0.09 115.31 120.35 2wa9 h LEU 61 Ca 0.00 -0.01 -0.02 0.00 0.08 0.00 0.00 57.88 57.93 2wa9 h LEU 61 Cb 0.75 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 42.24 2wa9 h LEU 61 CO -0.26 0.74 -0.21 -0.03 -1.08 0.00 0.00 178.44 177.60 2wa9 h MET 62 N 1.24 -0.57 -0.96 1.13 4.05 -0.76 0.14 114.93 119.21 2wa9 h MET 62 Ca 0.38 0.04 0.17 0.00 -0.28 0.00 0.00 59.70 60.01 2wa9 h MET 62 Cb -0.04 0.13 -0.09 0.00 -0.80 0.00 0.00 31.60 30.81 2wa9 h MET 62 CO -0.11 -0.37 0.61 -0.07 0.23 0.00 0.00 176.91 177.20 2wa9 h LEU 63 N -0.60 0.70 -0.35 3.39 -0.00 -0.65 -0.76 115.31 117.04 2wa9 h LEU 63 Ca -0.06 0.06 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 2wa9 h LEU 63 Cb 0.46 -0.07 -0.02 0.00 -0.00 0.00 0.00 40.66 41.04 2wa9 h LEU 63 CO 0.10 0.30 0.17 0.00 -0.00 0.00 0.00 178.44 179.01 2wa9 h ALA 64 N 1.61 0.45 -0.72 1.53 0.00 0.18 0.90 119.26 123.21 2wa9 h ALA 64 Ca 0.52 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.31 2wa9 h ALA 64 Cb 0.86 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 2wa9 h ALA 64 CO -0.28 0.00 0.37 0.28 0.00 0.00 0.00 179.25 179.62 2wa9 h VAL 65 N 0.43 1.23 -0.57 0.00 2.07 -0.02 0.13 116.25 119.52 2wa9 h VAL 65 Ca 0.12 -0.62 -0.08 0.00 0.82 0.00 0.00 66.70 66.95 2wa9 h VAL 65 Cb 0.10 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 2wa9 h VAL 65 CO -0.02 0.26 0.06 -0.74 0.02 0.00 0.00 177.57 177.15 2wa9 h HIS 66 N 1.00 1.04 0.00 1.57 6.17 -0.88 -1.96 115.15 122.10 2wa9 h HIS 66 Ca 0.25 -0.16 -0.38 0.00 0.71 0.00 0.00 60.37 60.79 2wa9 h HIS 66 Cb 0.09 -0.28 -0.07 0.00 2.52 0.00 0.00 27.41 29.67 2wa9 h HIS 66 CO 0.00 0.92 -2.42 0.66 0.71 0.00 0.00 177.93 177.80 2wa9 n TYR 67 N -4.29 0.00 0.37 5.26 4.01 0.29 -4.43 117.16 118.37 2wa9 n TYR 67 Ca 0.02 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.88 2wa9 n TYR 67 Cb 0.30 -0.99 0.08 0.00 -0.31 0.00 0.00 39.34 38.42 2wa9 n TYR 67 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 2wa9 h GLN 68 N 0.00 0.00 0.00 -0.72 4.20 -0.88 -3.48 115.11 114.22 2wa9 h GLN 68 Ca -0.56 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.15 2wa9 h GLN 68 Cb 2.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.85 2wa9 h GLN 68 CO -0.03 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.54 2wa9 n GLY 69 N 1.27 0.68 3.61 3.46 0.00 -0.74 -5.00 105.19 108.47 2wa9 n GLY 69 Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.76 0.24 -0.08 1.61 -2.85 -1.21 -1.99 119.74 114.70 2wa9 s LYS 70 Ca 0.00 -0.04 -0.05 0.00 -1.00 0.00 0.00 55.97 54.88 2wa9 s LYS 70 Cb 0.00 0.11 0.03 0.00 -2.06 0.00 0.00 37.83 35.91 2wa9 s LYS 70 CO 0.00 -0.09 0.19 0.00 0.10 0.00 0.00 175.35 175.55 2wa9 s ALA 71 N -1.88 -0.44 -0.49 0.59 0.00 -0.54 -4.24 121.76 114.76 2wa9 s ALA 71 Ca 0.08 0.69 -0.28 0.00 0.00 0.00 0.00 51.96 52.45 2wa9 s ALA 71 Cb -0.01 -0.43 -0.00 0.00 0.00 0.00 0.00 23.12 22.68 2wa9 s ALA 71 CO -0.05 -0.13 1.58 0.42 0.00 0.00 0.00 175.76 177.58 2wa9 s ILE 72 N 0.65 3.67 -0.02 0.00 1.01 -1.26 -0.89 121.20 124.35 2wa9 s ILE 72 Ca -0.05 0.60 -0.25 0.00 0.00 0.00 0.00 60.65 60.96 2wa9 s ILE 72 Cb -0.06 -4.13 -0.19 0.00 0.01 0.00 0.00 42.46 38.09 2wa9 s ILE 72 CO -0.03 -0.87 1.18 0.00 0.00 0.00 0.00 174.94 175.21 2wa9 s GLY 74 N -3.14 0.05 -0.14 0.00 0.00 -1.19 -5.03 107.32 97.87 2wa9 s GLY 74 Ca -0.15 -0.39 0.02 0.00 0.00 0.00 0.00 44.72 44.20 2wa9 s GLY 74 CO 0.61 -0.39 -0.20 0.14 0.00 0.00 0.00 173.10 173.26 2wa9 s VAL 75 N -3.90 1.94 0.37 1.40 1.01 -1.26 -0.26 120.40 119.70 2wa9 s VAL 75 Ca 0.11 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.23 2wa9 s VAL 75 Cb -0.00 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 2wa9 s VAL 75 CO -0.01 0.53 0.14 -0.36 0.00 0.00 0.00 175.10 175.39 2wa9 s PHE 76 N 0.97 1.76 0.55 5.22 0.40 -0.16 -4.90 117.98 121.82 2wa9 s PHE 76 Ca -0.04 -1.29 -0.13 0.00 -0.60 0.00 0.00 56.93 54.87 2wa9 s PHE 76 Cb -0.15 -1.07 -0.06 0.00 0.51 0.00 0.00 43.02 42.26 2wa9 s PHE 76 CO -0.05 -0.35 0.98 0.95 0.70 0.00 0.00 175.22 177.45 2wa9 s THR 77 N -3.33 4.66 0.00 0.64 -4.23 -1.26 0.12 115.64 112.23 2wa9 s THR 77 Ca 0.29 0.95 0.00 0.00 -1.18 0.00 0.00 61.69 61.75 2wa9 s THR 77 Cb 0.04 -3.80 0.00 0.00 1.34 0.00 0.00 72.50 70.08 2wa9 s THR 77 CO 0.16 -0.90 0.60 0.00 -0.54 0.00 0.00 174.62 173.95 2wa9 n ALA 78 N -2.14 0.00 -0.16 3.99 0.00 -0.88 -0.95 120.51 120.37 2wa9 n ALA 78 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.47 2wa9 n ALA 78 Cb 0.54 0.30 0.06 0.00 0.00 0.00 0.00 19.45 20.35 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 0.31 -0.82 0.00 5.08 -1.94 -1.09 114.58 116.11 2wa9 h GLU 79 Ca 0.00 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 2wa9 h GLU 79 Cb 0.00 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 2wa9 h GLU 79 CO 0.00 0.20 0.43 0.28 -1.00 0.00 0.00 179.01 178.93 2wa9 h VAL 80 N 0.32 1.25 -0.51 3.13 2.07 -1.84 -2.25 116.25 118.41 2wa9 h VAL 80 Ca 0.24 -0.64 -0.07 0.00 0.82 0.00 0.00 66.70 67.05 2wa9 h VAL 80 Cb 0.27 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 2wa9 h VAL 80 CO -0.26 0.28 0.06 0.00 0.02 0.00 0.00 177.57 177.67 2wa9 h ALA 81 N 1.23 0.69 0.13 1.67 0.00 -0.30 -1.55 119.26 121.13 2wa9 h ALA 81 Ca 0.29 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2wa9 h ALA 81 Cb 0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2wa9 h ALA 81 CO -0.04 0.45 -0.15 0.93 0.00 0.00 0.00 179.25 180.43 2wa9 h GLU 82 N 0.75 -0.31 -0.92 0.00 5.08 -1.09 -0.39 114.58 117.69 2wa9 h GLU 82 Ca 0.15 0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.68 2wa9 h GLU 82 Cb 0.44 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.67 2wa9 h GLU 82 CO 0.02 -0.21 0.53 1.15 -1.00 0.00 0.00 179.01 179.50 2wa9 h THR 83 N -0.32 0.79 0.67 1.13 2.02 -1.26 -1.44 112.91 114.50 2wa9 h THR 83 Ca 0.01 -0.26 -0.03 0.00 0.77 0.00 0.00 66.41 66.89 2wa9 h THR 83 Cb 0.31 -0.04 0.01 0.00 -1.74 0.00 0.00 68.15 66.69 2wa9 h THR 83 CO -0.05 0.14 -0.32 0.11 0.37 0.00 0.00 175.52 175.77 2wa9 h LYS 84 N 0.77 -0.87 -0.39 6.66 1.79 -0.90 -0.75 116.57 122.88 2wa9 h LYS 84 Ca 0.49 0.06 0.05 0.00 -2.18 0.00 0.00 60.65 59.07 2wa9 h LYS 84 Cb 0.64 0.20 -0.08 0.00 -1.58 0.00 0.00 32.23 31.40 2wa9 h LYS 84 CO -0.33 -0.55 -0.55 0.28 -1.08 0.00 0.00 179.45 177.22 2wa9 h VAL 85 N -1.16 0.00 -0.53 0.50 2.07 -0.81 0.33 116.25 116.64 2wa9 h VAL 85 Ca -0.09 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.50 2wa9 h VAL 85 Cb 0.72 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 2wa9 h VAL 85 CO 0.15 0.00 0.36 0.00 0.02 0.00 0.00 177.57 178.10 2wa9 h ALA 86 N -0.08 1.92 -0.03 1.67 0.00 -1.34 0.15 119.26 121.55 2wa9 h ALA 86 Ca 0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2wa9 h ALA 86 Cb 0.59 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 2wa9 h ALA 86 CO -0.58 -0.02 -0.01 1.98 0.00 0.00 0.00 179.25 180.62 2wa9 h MET 87 N 0.45 0.06 -0.59 0.00 -1.53 0.48 -1.60 114.93 112.19 2wa9 h MET 87 Ca 0.24 -0.02 -0.09 0.00 -3.44 0.00 0.00 59.70 56.38 2wa9 h MET 87 Cb 0.36 -0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.38 2wa9 h MET 87 CO -0.06 0.45 0.02 0.28 0.14 0.00 0.00 176.91 177.74 2wa9 h VAL 88 N -0.34 1.26 -0.31 -5.77 2.07 0.45 -1.29 116.25 112.31 2wa9 h VAL 88 Ca 0.01 -1.09 -0.14 0.00 0.82 0.00 0.00 66.70 66.29 2wa9 h VAL 88 Cb 0.44 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 2wa9 h VAL 88 CO 0.00 0.40 -0.37 0.78 0.02 0.00 0.00 177.57 178.40 2wa9 h ASN 89 N 0.93 0.77 0.08 0.57 2.35 -0.79 -1.86 115.58 117.62 2wa9 h ASN 89 Ca 0.17 -0.34 -0.00 0.00 -0.55 0.00 0.00 56.30 55.58 2wa9 h ASN 89 Cb 0.51 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.66 2wa9 h ASN 89 CO 0.02 1.06 -0.04 0.50 -1.65 0.00 0.00 177.43 177.33 2wa9 h LYS 90 N 0.61 -0.10 -0.61 0.81 1.63 -0.90 -1.71 116.57 116.29 2wa9 h LYS 90 Ca 0.06 0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.84 2wa9 h LYS 90 Cb 0.91 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.53 2wa9 h LYS 90 CO 0.08 -0.00 0.28 -0.92 -3.45 0.00 0.00 179.45 175.44 2wa9 h TYR 91 N -0.17 0.86 -0.27 1.91 3.20 -1.24 -2.12 116.97 119.14 2wa9 h TYR 91 Ca -0.01 -0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.75 2wa9 h TYR 91 Cb 0.14 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 2wa9 h TYR 91 CO -0.05 0.64 -0.13 0.00 -1.64 0.00 0.00 178.16 176.98 2wa9 h ALA 92 N 1.45 0.37 -0.58 1.82 0.00 -1.20 -2.72 119.26 118.40 2wa9 h ALA 92 Ca 0.21 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 2wa9 h ALA 92 Cb 0.11 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2wa9 h ALA 92 CO -0.03 0.25 0.02 0.00 0.00 0.00 0.00 179.25 179.49 2wa9 h ARG 93 N 0.29 1.00 0.00 0.00 2.47 -1.04 0.22 114.38 117.33 2wa9 h ARG 93 Ca 0.06 -0.29 -0.10 0.00 -1.26 0.00 0.00 59.98 58.39 2wa9 h ARG 93 Cb 0.64 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.84 2wa9 h ARG 93 CO 0.04 0.97 -0.46 1.05 0.56 0.00 0.00 179.97 182.12 2wa9 h GLU 94 N 0.92 0.00 -0.47 0.04 4.11 -1.41 -1.78 114.58 115.99 2wa9 h GLU 94 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.60 2wa9 h GLU 94 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2wa9 h GLU 94 CO 0.02 0.46 0.00 0.09 0.07 0.00 0.00 179.01 179.66 2wa9 n ASN 95 N -3.71 2.43 -3.34 3.06 5.03 -1.03 -4.94 115.26 112.76 2wa9 n ASN 95 Ca -0.01 -2.09 -0.23 0.00 0.87 0.00 0.00 54.58 53.12 2wa9 n ASN 95 Cb 0.53 -0.33 0.07 0.00 -1.02 0.00 0.00 39.78 39.03 2wa9 n ASN 95 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2wa9 n GLU 96 N 0.63 -6.93 -4.40 3.52 1.02 -0.67 -5.01 120.64 108.79 2wa9 n GLU 96 Ca 0.14 0.83 -0.30 0.00 -0.02 0.00 0.00 57.16 57.81 2wa9 n GLU 96 Cb 0.42 -5.76 -0.11 0.00 -0.02 0.00 0.00 31.44 25.96 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 -3.27 2.59 -2.01 -0.32 3.76 -0.01 -5.02 115.29 111.01 2wa9 s HIS 97 Ca 0.49 -0.23 0.07 0.00 -0.15 0.00 0.00 55.06 55.24 2wa9 s HIS 97 Cb -0.22 -1.41 0.24 0.00 1.11 0.00 0.00 32.58 32.30 2wa9 s HIS 97 CO 0.61 0.35 1.18 -0.35 -0.85 0.00 0.00 174.74 175.69 2wa9 n PRO 98 N 1.03 1.40 -1.67 8.40 -0.04 -1.26 -4.03 135.00 138.83 2wa9 n PRO 98 Ca -0.15 -0.61 -0.51 0.00 -0.04 0.00 0.00 63.50 62.18 2wa9 n PRO 98 Cb 0.52 -1.16 -0.06 0.00 -0.04 0.00 0.00 33.50 32.77 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 -0.02 3.04 -4.68 1.53 7.94 -1.26 -4.94 117.00 118.61 2wa9 n LEU 99 Ca 0.07 0.94 -0.36 0.00 -1.11 0.00 0.00 56.01 55.54 2wa9 n LEU 99 Cb 0.15 -1.30 -0.09 0.00 0.53 0.00 0.00 43.42 42.71 2wa9 n LEU 99 CO 0.05 -0.23 -0.13 -0.22 -1.11 0.00 0.00 177.39 175.75 2wa9 s LEU 100 N 4.32 4.14 -0.10 -1.96 1.98 -1.26 -4.82 118.68 120.99 2wa9 s LEU 100 Ca 0.96 0.21 0.03 0.00 -2.89 0.00 0.00 54.13 52.45 2wa9 s LEU 100 Cb -0.81 -2.18 0.00 0.00 0.66 0.00 0.00 46.19 43.87 2wa9 s LEU 100 CO 0.55 0.07 -0.22 0.00 -1.89 0.00 0.00 176.35 174.86 2wa9 s THR 102 N 0.47 0.54 0.47 0.00 -1.32 0.80 -4.89 115.64 111.70 2wa9 s THR 102 Ca -0.17 -2.00 0.02 0.00 -1.21 0.00 0.00 61.69 58.34 2wa9 s THR 102 Cb -0.17 -2.51 -0.02 0.00 -1.51 0.00 0.00 72.50 68.29 2wa9 s THR 102 CO 0.07 0.00 0.05 -0.76 -2.21 0.00 0.00 174.62 171.77 2wa9 s LEU 103 N -3.46 2.19 0.00 9.08 1.43 -1.26 -1.41 118.68 125.26 2wa9 s LEU 103 Ca 0.32 -1.65 0.00 0.00 -1.03 0.00 0.00 54.13 51.77 2wa9 s LEU 103 Cb 0.05 -0.49 0.00 0.00 0.03 0.00 0.00 46.19 45.78 2wa9 s LEU 103 CO 0.16 -0.87 0.00 -1.84 0.23 0.00 0.00 176.35 174.03 2wa9 n GLU 104 N -1.12 0.00 0.00 1.70 0.28 -1.25 -4.96 120.64 115.29 2wa9 n GLU 104 Ca -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.86 2wa9 n GLU 104 Cb 0.66 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.53 2wa9 n GLU 104 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2wa9 n LYS 105 N 0.00 0.00 0.00 3.44 5.02 -1.26 -4.74 118.16 120.62 2wa9 n LYS 105 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2wa9 n LYS 105 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2wa9 n LYS 105 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wa9 n ALA 106 N 0.00 0.00 -0.86 7.82 0.00 -1.22 -4.35 120.51 121.89 2wa9 n ALA 106 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wa9 n ALA 106 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.11 -1.06 0.00 0.00 0.00 -1.26 -4.74 105.19 98.02 2wa9 n GLY 107 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2wa9 n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32