#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 4.26 -1.02 1.97 0.04 -1.26 -5.07 135.00 133.93 2wa9 s PRO 24 Ca 0.00 1.04 -0.04 0.00 0.04 0.00 0.00 61.00 62.04 2wa9 s PRO 24 Cb 0.00 -2.46 0.28 0.00 0.04 0.00 0.00 34.50 32.36 2wa9 s PRO 24 CO 0.00 0.13 1.19 -0.35 0.04 0.00 0.00 177.00 178.01 2wa9 n PRO 25 N -0.14 3.70 -1.29 0.56 -0.04 -1.26 -4.94 135.00 131.60 2wa9 n PRO 25 Ca 0.04 -4.53 -0.57 0.00 -0.04 0.00 0.00 63.50 58.40 2wa9 n PRO 25 Cb 0.53 -2.48 -0.12 0.00 -0.04 0.00 0.00 33.50 31.38 2wa9 n PRO 25 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2wa9 n SER 26 N 1.84 0.75 -4.82 3.54 7.64 -1.26 -4.80 113.62 116.50 2wa9 n SER 26 Ca 0.25 0.61 -0.36 0.00 1.01 0.00 0.00 58.87 60.38 2wa9 n SER 26 Cb 0.36 -0.92 -0.06 0.00 -1.01 0.00 0.00 64.21 62.59 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 6.36 4.15 -0.06 1.43 -1.94 -1.26 -1.90 119.30 126.08 2wa9 s MET 27 Ca 1.21 0.71 0.02 0.00 -1.71 0.00 0.00 55.69 55.93 2wa9 s MET 27 Cb -1.45 -2.97 0.02 0.00 2.01 0.00 0.00 34.83 32.44 2wa9 s MET 27 CO 0.63 0.47 -0.10 0.71 -0.01 0.00 0.00 175.02 176.73 2wa9 s TYR 28 N -1.42 1.21 0.17 -0.03 1.51 0.28 -2.95 117.35 116.12 2wa9 s TYR 28 Ca 0.38 -0.42 -0.30 0.00 -1.01 0.00 0.00 57.07 55.73 2wa9 s TYR 28 Cb -0.17 -0.92 -0.08 0.00 -0.11 0.00 0.00 41.96 40.68 2wa9 s TYR 28 CO 0.20 -0.24 1.16 0.15 -1.11 0.00 0.00 175.55 175.71 2wa9 s LYS 29 N 0.73 4.52 -0.36 -0.62 1.02 0.83 -0.98 119.74 124.89 2wa9 s LYS 29 Ca -0.14 1.80 -0.08 0.00 0.02 0.00 0.00 55.97 57.57 2wa9 s LYS 29 Cb -0.15 -3.27 0.04 0.00 -0.52 0.00 0.00 37.83 33.93 2wa9 s LYS 29 CO 0.03 -0.05 0.16 0.08 -0.92 0.00 0.00 175.35 174.65 2wa9 s VAL 30 N 0.02 4.13 -0.05 3.17 1.01 0.24 -2.45 120.40 126.46 2wa9 s VAL 30 Ca 0.52 -1.05 0.02 0.00 0.00 0.00 0.00 61.98 61.47 2wa9 s VAL 30 Cb -0.31 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 2wa9 s VAL 30 CO 0.35 -0.23 -0.10 -0.63 0.00 0.00 0.00 175.10 174.49 2wa9 s ILE 31 N 1.46 3.44 -0.18 2.22 1.01 -0.48 -0.59 121.20 128.09 2wa9 s ILE 31 Ca 0.00 -0.62 -0.02 0.00 0.00 0.00 0.00 60.65 60.01 2wa9 s ILE 31 Cb -0.20 -2.40 -0.01 0.00 0.01 0.00 0.00 42.46 39.86 2wa9 s ILE 31 CO 0.04 0.56 -0.08 -0.22 0.00 0.00 0.00 174.94 175.24 2wa9 s LEU 32 N -0.88 2.83 -0.09 2.97 2.96 -0.42 -0.31 118.68 125.74 2wa9 s LEU 32 Ca 0.13 -0.35 -0.00 0.00 -0.22 0.00 0.00 54.13 53.68 2wa9 s LEU 32 Cb -0.11 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 2wa9 s LEU 32 CO 0.02 0.08 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.38 2wa9 s VAL 33 N 0.90 3.80 0.42 1.68 1.01 -0.52 -1.34 120.40 126.34 2wa9 s VAL 33 Ca -0.02 -0.43 -0.24 0.00 0.00 0.00 0.00 61.98 61.29 2wa9 s VAL 33 Cb -0.15 -2.58 -0.08 0.00 0.00 0.00 0.00 36.38 33.57 2wa9 s VAL 33 CO 0.00 0.58 1.15 0.21 0.00 0.00 0.00 175.10 177.04 2wa9 s ASN 34 N -0.57 6.43 -0.02 3.32 2.47 -0.75 -4.22 114.94 121.60 2wa9 s ASN 34 Ca 0.09 2.29 -0.14 0.00 0.42 0.00 0.00 52.86 55.51 2wa9 s ASN 34 Cb -0.12 -2.61 0.02 0.00 -1.45 0.00 0.00 41.25 37.10 2wa9 s ASN 34 CO 0.02 -0.73 0.31 1.51 -3.72 0.00 0.00 177.10 174.48 2wa9 s ASP 35 N -1.27 -0.19 0.00 -4.21 1.47 -1.26 -4.97 116.67 106.23 2wa9 s ASP 35 Ca 0.59 0.12 0.07 0.00 1.18 0.00 0.00 52.55 54.51 2wa9 s ASP 35 Cb -0.29 0.33 0.44 0.00 -0.34 0.00 0.00 42.92 43.07 2wa9 s ASP 35 CO 0.36 -0.42 0.98 0.47 0.68 0.00 0.00 175.17 177.23 2wa9 n ASP 36 N 1.39 0.00 0.00 2.11 8.00 -1.26 -3.81 116.55 122.98 2wa9 n ASP 36 Ca -0.21 -1.02 0.00 0.00 0.71 0.00 0.00 54.79 54.27 2wa9 n ASP 36 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 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 -0.69 0.00 -2.06 1.24 4.01 -1.26 -4.99 117.16 113.42 2wa9 n TYR 37 Ca 0.06 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.37 2wa9 n TYR 37 Cb 0.03 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.03 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 -1.89 3.44 0.63 -0.72 2.01 -1.25 -4.97 115.64 112.89 2wa9 s THR 38 Ca 0.00 0.77 -0.18 0.00 0.31 0.00 0.00 61.69 62.59 2wa9 s THR 38 Cb 0.00 -3.50 -0.03 0.00 0.01 0.00 0.00 72.50 68.98 2wa9 s THR 38 CO 0.00 -0.02 0.99 -2.65 -0.69 0.00 0.00 174.62 172.25 2wa9 n PRO 39 N 5.98 0.83 -0.13 4.92 -0.02 -1.26 -4.94 135.00 140.37 2wa9 n PRO 39 Ca 0.15 0.33 -0.12 0.00 -2.02 0.00 0.00 63.50 61.84 2wa9 n PRO 39 Cb 0.42 -2.21 -0.02 0.00 -0.02 0.00 0.00 33.50 31.67 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 0.32 0.89 -0.87 -0.52 2.86 -2.00 -2.66 114.93 112.96 2wa9 h MET 40 Ca -0.49 -0.42 0.21 0.00 -2.06 0.00 0.00 59.70 56.94 2wa9 h MET 40 Cb 1.36 -0.01 -0.12 0.00 0.06 0.00 0.00 31.60 32.89 2wa9 h MET 40 CO 0.50 1.07 0.35 0.93 1.06 0.00 0.00 176.91 180.82 2wa9 h GLU 41 N 0.70 0.37 -0.50 1.72 4.39 -1.99 -1.30 114.58 117.97 2wa9 h GLU 41 Ca 0.08 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.70 2wa9 h GLU 41 Cb 0.85 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.40 2wa9 h GLU 41 CO 0.07 0.24 0.09 0.35 -1.16 0.00 0.00 179.01 178.61 2wa9 h PHE 42 N 0.38 0.87 -0.63 4.33 3.57 -1.85 0.47 116.94 124.07 2wa9 h PHE 42 Ca 0.53 -0.12 -0.05 0.00 3.53 0.00 0.00 57.97 61.87 2wa9 h PHE 42 Cb 0.99 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.46 2wa9 h PHE 42 CO -0.16 0.79 0.19 0.28 -2.23 0.00 0.00 178.31 177.18 2wa9 h VAL 43 N 0.70 1.24 -0.10 1.41 2.07 -1.19 0.12 116.25 120.49 2wa9 h VAL 43 Ca 0.15 -0.81 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 2wa9 h VAL 43 Cb 0.38 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 2wa9 h VAL 43 CO 0.01 0.31 0.05 0.40 0.02 0.00 0.00 177.57 178.36 2wa9 h ILE 44 N 0.92 1.10 -0.45 4.57 2.04 -0.45 -1.04 117.51 124.19 2wa9 h ILE 44 Ca 0.21 -0.27 0.05 0.00 1.00 0.00 0.00 64.86 65.85 2wa9 h ILE 44 Cb 0.27 1.09 -0.09 0.00 -0.74 0.00 0.00 36.82 37.35 2wa9 h ILE 44 CO -0.01 0.08 -0.55 -0.78 0.00 0.00 0.00 178.15 176.89 2wa9 h ASP 45 N 0.06 -1.86 -0.67 1.72 3.58 0.84 -1.16 116.42 118.93 2wa9 h ASP 45 Ca 0.04 0.25 0.14 0.00 0.42 0.00 0.00 57.03 57.88 2wa9 h ASP 45 Cb 0.09 0.77 -0.12 0.00 1.72 0.00 0.00 39.33 41.79 2wa9 h ASP 45 CO -0.01 -0.39 -0.04 0.58 -2.88 0.00 0.00 179.24 176.51 2wa9 h VAL 46 N -0.37 0.41 -0.06 2.25 2.07 -0.61 -0.30 116.25 119.64 2wa9 h VAL 46 Ca 0.08 -0.03 -0.10 0.00 0.82 0.00 0.00 66.70 67.48 2wa9 h VAL 46 Cb 0.58 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 2wa9 h VAL 46 CO -0.62 0.01 -0.43 -0.07 0.02 0.00 0.00 177.57 176.49 2wa9 h LEU 47 N 0.08 0.13 0.02 2.57 3.38 -0.40 -1.47 115.31 119.63 2wa9 h LEU 47 Ca 0.35 -0.06 -0.22 0.00 0.09 0.00 0.00 57.88 58.04 2wa9 h LEU 47 Cb 0.58 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 2wa9 h LEU 47 CO -0.61 0.55 -1.05 1.56 0.09 0.00 0.00 178.44 178.98 2wa9 h GLN 48 N 0.11 0.04 0.04 1.13 4.20 -0.70 -2.81 115.11 117.12 2wa9 h GLN 48 Ca 0.01 -0.07 -0.28 0.00 0.06 0.00 0.00 58.65 58.36 2wa9 h GLN 48 Cb 0.80 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.57 2wa9 h GLN 48 CO 0.06 1.03 -1.52 -0.22 -0.67 0.00 0.00 178.83 177.51 2wa9 h LYS 49 N 0.01 0.07 0.00 1.46 3.64 -0.74 -3.19 116.57 117.82 2wa9 h LYS 49 Ca -0.04 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 2wa9 h LYS 49 Cb 1.81 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.67 2wa9 h LYS 49 CO 0.14 0.80 0.00 1.19 -2.27 0.00 0.00 179.45 179.31 2wa9 n PHE 50 N -3.24 0.00 -0.38 1.91 3.72 -0.58 -4.65 117.46 114.24 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 1.02 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.56 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 -0.15 0.00 -1.94 1.38 3.01 -1.17 -5.03 117.46 113.56 2wa9 n PHE 51 Ca 0.00 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.26 2wa9 n PHE 51 Cb 0.02 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.44 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 -0.11 -5.53 -4.76 4.37 7.64 -1.09 -4.97 113.62 109.17 2wa9 n SER 52 Ca 0.00 0.28 -0.34 0.00 1.01 0.00 0.00 58.87 59.82 2wa9 n SER 52 Cb 0.09 -4.77 0.05 0.00 -1.01 0.00 0.00 64.21 58.57 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 -2.84 2.46 0.63 1.43 2.02 -1.08 -4.99 117.35 114.97 2wa9 s TYR 53 Ca 0.00 1.55 -0.08 0.00 -0.37 0.00 0.00 57.07 58.17 2wa9 s TYR 53 Cb 0.00 -3.32 0.01 0.00 -0.40 0.00 0.00 41.96 38.25 2wa9 s TYR 53 CO 0.00 -1.97 0.97 0.16 -1.57 0.00 0.00 175.55 173.14 2wa9 s ASP 54 N -2.11 5.56 0.28 2.29 -4.77 -1.26 -4.39 116.67 112.27 2wa9 s ASP 54 Ca 0.72 0.89 0.02 0.00 -3.30 0.00 0.00 52.55 50.88 2wa9 s ASP 54 Cb -0.25 -1.82 0.66 0.00 -1.09 0.00 0.00 42.92 40.43 2wa9 s ASP 54 CO 0.38 -1.15 1.71 0.58 0.70 0.00 0.00 175.17 177.38 2wa9 h VAL 55 N -0.35 0.53 0.69 2.11 2.07 -1.97 -1.51 116.25 117.83 2wa9 h VAL 55 Ca -0.45 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 66.89 2wa9 h VAL 55 Cb 1.25 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 2wa9 h VAL 55 CO 0.62 0.08 -0.50 -0.33 0.02 0.00 0.00 177.57 177.46 2wa9 h GLU 56 N 0.44 -1.09 -0.99 1.57 5.08 -2.01 -2.29 114.58 115.29 2wa9 h GLU 56 Ca 0.53 0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.97 2wa9 h GLU 56 Cb 0.94 0.25 -0.05 0.00 0.50 0.00 0.00 28.75 30.39 2wa9 h GLU 56 CO -0.49 -0.73 0.65 0.00 -1.00 0.00 0.00 179.01 177.44 2wa9 h ARG 57 N -1.14 1.29 -1.00 2.33 2.47 -1.85 -2.10 114.38 114.38 2wa9 h ARG 57 Ca -0.09 -0.08 0.19 0.00 -1.26 0.00 0.00 59.98 58.74 2wa9 h ARG 57 Cb 0.93 -0.29 -0.10 0.00 -1.65 0.00 0.00 29.97 28.86 2wa9 h ARG 57 CO 0.05 0.85 0.61 0.00 0.56 0.00 0.00 179.97 182.05 2wa9 h ALA 58 N 1.37 1.70 -0.20 0.04 0.00 -1.11 -1.75 119.26 119.31 2wa9 h ALA 58 Ca 0.36 0.07 -0.16 0.00 0.00 0.00 0.00 54.91 55.18 2wa9 h ALA 58 Cb -0.14 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2wa9 h ALA 58 CO -0.08 -0.07 -0.52 1.15 0.00 0.00 0.00 179.25 179.73 2wa9 h THR 59 N 0.75 1.31 -0.23 0.00 2.02 -0.80 0.05 112.91 116.02 2wa9 h THR 59 Ca 0.57 -1.74 0.03 0.00 0.77 0.00 0.00 66.41 66.03 2wa9 h THR 59 Cb 0.90 1.88 -0.04 0.00 -1.74 0.00 0.00 68.15 69.15 2wa9 h THR 59 CO -0.36 0.55 -0.28 1.56 0.37 0.00 0.00 175.52 177.35 2wa9 h GLN 60 N 0.40 -0.17 -0.75 6.66 7.50 -1.30 -0.13 115.11 127.33 2wa9 h GLN 60 Ca -0.01 0.01 0.08 0.00 0.50 0.00 0.00 58.65 59.23 2wa9 h GLN 60 Cb 1.13 0.04 -0.05 0.00 0.05 0.00 0.00 27.48 28.65 2wa9 h GLN 60 CO 0.11 -0.12 0.49 -0.07 -1.50 0.00 0.00 178.83 177.75 2wa9 h LEU 61 N -0.18 0.66 -0.02 1.46 4.07 -1.26 -0.10 115.31 119.94 2wa9 h LEU 61 Ca 0.04 0.01 -0.00 0.00 0.08 0.00 0.00 57.88 58.01 2wa9 h LEU 61 Cb 0.29 -0.13 -0.00 0.00 1.08 0.00 0.00 40.66 41.90 2wa9 h LEU 61 CO -0.31 0.41 -0.00 -0.03 -1.08 0.00 0.00 178.44 177.43 2wa9 h MET 62 N 0.74 0.03 -0.80 1.13 4.05 -0.46 0.17 114.93 119.80 2wa9 h MET 62 Ca 0.33 -0.01 0.14 0.00 -0.28 0.00 0.00 59.70 59.88 2wa9 h MET 62 Cb 0.34 -0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 31.08 2wa9 h MET 62 CO -0.12 0.35 0.52 -0.07 0.23 0.00 0.00 176.91 177.82 2wa9 h LEU 63 N -0.28 0.51 -0.28 3.39 -0.00 -0.43 -0.19 115.31 118.03 2wa9 h LEU 63 Ca 0.01 0.03 -0.05 0.00 -0.00 0.00 0.00 57.88 57.86 2wa9 h LEU 63 Cb 0.33 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 40.91 2wa9 h LEU 63 CO 0.00 0.27 -0.01 0.00 -0.00 0.00 0.00 178.44 178.69 2wa9 h ALA 64 N 1.63 0.38 -0.53 1.53 0.00 -0.25 0.13 119.26 122.15 2wa9 h ALA 64 Ca 0.39 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2wa9 h ALA 64 Cb 0.74 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2wa9 h ALA 64 CO -0.15 0.14 0.24 0.28 0.00 0.00 0.00 179.25 179.76 2wa9 h VAL 65 N 0.28 1.21 -0.62 0.00 2.07 -0.05 0.69 116.25 119.82 2wa9 h VAL 65 Ca 0.08 -0.61 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 2wa9 h VAL 65 Cb 0.45 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 2wa9 h VAL 65 CO 0.02 0.24 0.33 -0.74 0.02 0.00 0.00 177.57 177.43 2wa9 h HIS 66 N 0.72 0.87 0.00 1.57 6.17 -0.81 -1.60 115.15 122.07 2wa9 h HIS 66 Ca 0.18 -0.03 -0.37 0.00 0.71 0.00 0.00 60.37 60.86 2wa9 h HIS 66 Cb 0.15 -0.28 -0.07 0.00 2.52 0.00 0.00 27.41 29.74 2wa9 h HIS 66 CO 0.00 0.64 -2.39 0.66 0.71 0.00 0.00 177.93 177.55 2wa9 n TYR 67 N -4.54 0.00 0.64 5.26 4.01 0.44 -4.43 117.16 118.55 2wa9 n TYR 67 Ca 0.04 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.90 2wa9 n TYR 67 Cb 0.10 -0.98 0.06 0.00 -0.31 0.00 0.00 39.34 38.21 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 -2.87 0.24 -0.03 -0.72 6.02 0.23 -4.97 117.38 115.27 2wa9 n GLN 68 Ca -0.36 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.64 2wa9 n GLN 68 Cb 1.11 -1.59 0.00 0.00 1.02 0.00 0.00 30.24 30.78 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 1.39 0.54 3.61 1.08 0.00 -0.60 -4.98 105.19 106.22 2wa9 n GLY 69 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.83 0.22 -0.10 1.61 -2.85 -1.22 -1.82 119.74 114.76 2wa9 s LYS 70 Ca 0.00 -0.03 -0.05 0.00 -1.00 0.00 0.00 55.97 54.89 2wa9 s LYS 70 Cb 0.00 0.10 0.05 0.00 -2.06 0.00 0.00 37.83 35.92 2wa9 s LYS 70 CO 0.00 -0.09 0.24 0.00 0.10 0.00 0.00 175.35 175.60 2wa9 s ALA 71 N -1.79 -0.54 -0.53 0.59 0.00 -0.45 -4.33 121.76 114.71 2wa9 s ALA 71 Ca 0.08 0.98 -0.27 0.00 0.00 0.00 0.00 51.96 52.75 2wa9 s ALA 71 Cb -0.01 -0.62 -0.01 0.00 0.00 0.00 0.00 23.12 22.48 2wa9 s ALA 71 CO -0.05 -0.19 1.71 0.42 0.00 0.00 0.00 175.76 177.65 2wa9 s ILE 72 N 1.24 3.51 0.04 0.00 1.01 -1.26 -1.30 121.20 124.44 2wa9 s ILE 72 Ca -0.09 0.41 -0.26 0.00 0.00 0.00 0.00 60.65 60.70 2wa9 s ILE 72 Cb -0.10 -4.03 -0.17 0.00 0.01 0.00 0.00 42.46 38.16 2wa9 s ILE 72 CO -0.08 -0.88 1.46 0.00 0.00 0.00 0.00 174.94 175.43 2wa9 s GLY 74 N -2.51 0.13 -0.13 0.00 0.00 -1.19 -5.03 107.32 98.59 2wa9 s GLY 74 Ca -0.15 -0.47 0.02 0.00 0.00 0.00 0.00 44.72 44.12 2wa9 s GLY 74 CO 0.61 -0.43 -0.19 0.14 0.00 0.00 0.00 173.10 173.23 2wa9 s VAL 75 N -3.92 1.83 0.29 1.40 1.01 -1.26 -0.60 120.40 119.16 2wa9 s VAL 75 Ca 0.13 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.30 2wa9 s VAL 75 Cb -0.00 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 2wa9 s VAL 75 CO 0.00 0.51 0.16 -0.36 0.00 0.00 0.00 175.10 175.40 2wa9 s PHE 76 N 0.90 1.57 0.50 5.22 0.40 -0.15 -4.90 117.98 121.52 2wa9 s PHE 76 Ca -0.07 -1.37 -0.17 0.00 -0.60 0.00 0.00 56.93 54.73 2wa9 s PHE 76 Cb -0.15 -0.83 -0.08 0.00 0.51 0.00 0.00 43.02 42.46 2wa9 s PHE 76 CO -0.02 -0.53 0.98 0.95 0.70 0.00 0.00 175.22 177.29 2wa9 s THR 77 N -3.65 4.53 0.00 0.64 -4.23 -1.26 0.10 115.64 111.77 2wa9 s THR 77 Ca 0.36 1.23 -0.01 0.00 -1.18 0.00 0.00 61.69 62.09 2wa9 s THR 77 Cb 0.05 -3.71 -0.00 0.00 1.34 0.00 0.00 72.50 70.18 2wa9 s THR 77 CO 0.17 -0.65 0.41 0.00 -0.54 0.00 0.00 174.62 174.02 2wa9 n ALA 78 N -1.48 -0.01 -0.07 3.99 0.00 -0.80 -0.91 120.51 121.22 2wa9 n ALA 78 Ca 0.06 0.02 -0.07 0.00 0.00 0.00 0.00 53.44 53.45 2wa9 n ALA 78 Cb 0.54 0.19 -0.01 0.00 0.00 0.00 0.00 19.45 20.17 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 0.07 -0.85 0.00 5.08 -1.94 -1.06 114.58 115.89 2wa9 h GLU 79 Ca 0.00 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2wa9 h GLU 79 Cb 0.01 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 2wa9 h GLU 79 CO -0.02 0.05 0.51 0.28 -1.00 0.00 0.00 179.01 178.83 2wa9 h VAL 80 N 0.07 1.23 -0.42 3.13 2.07 -1.80 -2.19 116.25 118.35 2wa9 h VAL 80 Ca 0.13 -0.51 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 2wa9 h VAL 80 Cb 0.18 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 2wa9 h VAL 80 CO -0.23 0.25 0.11 0.00 0.02 0.00 0.00 177.57 177.72 2wa9 h ALA 81 N 1.39 0.55 -0.34 1.67 0.00 -0.01 -2.12 119.26 120.42 2wa9 h ALA 81 Ca 0.30 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.04 2wa9 h ALA 81 Cb -0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2wa9 h ALA 81 CO -0.06 0.23 0.19 0.93 0.00 0.00 0.00 179.25 180.54 2wa9 h GLU 82 N 0.54 0.38 -0.99 0.00 5.08 -1.05 -0.16 114.58 118.38 2wa9 h GLU 82 Ca 0.13 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.53 2wa9 h GLU 82 Cb 0.30 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.40 2wa9 h GLU 82 CO 0.00 0.25 0.64 1.15 -1.00 0.00 0.00 179.01 180.05 2wa9 h THR 83 N 0.39 1.11 0.51 1.13 2.02 -1.24 -1.99 112.91 114.84 2wa9 h THR 83 Ca 0.13 -0.41 -0.02 0.00 0.77 0.00 0.00 66.41 66.88 2wa9 h THR 83 Cb 0.01 -0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.25 2wa9 h THR 83 CO -0.07 0.22 -0.24 0.11 0.37 0.00 0.00 175.52 175.90 2wa9 h LYS 84 N 1.18 -0.65 -0.45 6.66 1.79 -0.91 -0.66 116.57 123.53 2wa9 h LYS 84 Ca 0.42 0.04 0.05 0.00 -2.18 0.00 0.00 60.65 58.98 2wa9 h LYS 84 Cb 0.12 0.15 -0.08 0.00 -1.58 0.00 0.00 32.23 30.84 2wa9 h LYS 84 CO -0.16 -0.36 -0.50 0.28 -1.08 0.00 0.00 179.45 177.64 2wa9 h VAL 85 N -1.05 0.00 -0.48 0.50 2.07 -0.95 0.32 116.25 116.66 2wa9 h VAL 85 Ca -0.07 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.53 2wa9 h VAL 85 Cb 0.60 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 2wa9 h VAL 85 CO 0.11 0.00 0.32 0.00 0.02 0.00 0.00 177.57 178.03 2wa9 h ALA 86 N -0.11 2.04 -0.04 1.67 0.00 -1.43 0.24 119.26 121.63 2wa9 h ALA 86 Ca 0.08 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2wa9 h ALA 86 Cb 0.50 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2wa9 h ALA 86 CO -0.58 -0.14 -0.04 1.98 0.00 0.00 0.00 179.25 180.48 2wa9 h MET 87 N 0.31 0.10 -0.28 0.00 -1.53 0.50 -1.44 114.93 112.60 2wa9 h MET 87 Ca 0.22 -0.05 -0.12 0.00 -3.44 0.00 0.00 59.70 56.30 2wa9 h MET 87 Cb 0.44 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.48 2wa9 h MET 87 CO -0.05 0.56 -0.33 0.28 0.14 0.00 0.00 176.91 177.51 2wa9 h VAL 88 N -0.35 1.29 -0.33 -5.77 2.07 0.84 -0.98 116.25 113.02 2wa9 h VAL 88 Ca 0.01 -1.45 -0.09 0.00 0.82 0.00 0.00 66.70 65.98 2wa9 h VAL 88 Cb 0.54 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 2wa9 h VAL 88 CO 0.01 0.46 -0.16 0.78 0.02 0.00 0.00 177.57 178.69 2wa9 h ASN 89 N 0.51 0.71 -0.04 0.57 2.35 -0.62 -2.42 115.58 116.63 2wa9 h ASN 89 Ca 0.06 -0.40 0.03 0.00 -0.55 0.00 0.00 56.30 55.43 2wa9 h ASN 89 Cb 0.82 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.96 2wa9 h ASN 89 CO 0.07 0.95 -0.15 0.50 -1.65 0.00 0.00 177.43 177.15 2wa9 h LYS 90 N 0.46 -0.22 -0.16 0.81 1.63 -0.69 -1.78 116.57 116.61 2wa9 h LYS 90 Ca 0.07 0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.86 2wa9 h LYS 90 Cb 0.69 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.36 2wa9 h LYS 90 CO 0.05 -0.15 -0.03 -0.92 -3.45 0.00 0.00 179.45 174.95 2wa9 h TYR 91 N -0.23 0.23 0.07 1.91 3.20 -1.19 -1.50 116.97 119.46 2wa9 h TYR 91 Ca 0.06 -0.01 -0.26 0.00 3.14 0.00 0.00 58.73 61.66 2wa9 h TYR 91 Cb 0.32 -0.07 0.02 0.00 1.54 0.00 0.00 36.73 38.54 2wa9 h TYR 91 CO -0.22 0.27 -1.05 0.00 -1.64 0.00 0.00 178.16 175.52 2wa9 h ALA 92 N 1.75 0.04 -0.24 1.82 0.00 -1.08 -2.81 119.26 118.73 2wa9 h ALA 92 Ca 0.05 -0.71 -0.11 0.00 0.00 0.00 0.00 54.91 54.14 2wa9 h ALA 92 Cb 0.21 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2wa9 h ALA 92 CO 0.01 0.61 -0.33 0.00 0.00 0.00 0.00 179.25 179.54 2wa9 h ARG 93 N 0.20 0.50 0.00 0.00 2.47 -0.80 -0.37 114.38 116.38 2wa9 h ARG 93 Ca -0.15 -0.22 -0.12 0.00 -1.26 0.00 0.00 59.98 58.23 2wa9 h ARG 93 Cb 1.73 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 30.02 2wa9 h ARG 93 CO 0.20 0.77 -0.57 1.05 0.56 0.00 0.00 179.97 181.98 2wa9 h GLU 94 N 0.43 0.00 -0.51 0.04 4.11 -1.33 -2.05 114.58 115.27 2wa9 h GLU 94 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.48 2wa9 h GLU 94 Cb 0.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.03 2wa9 h GLU 94 CO 0.06 0.57 0.00 0.09 0.07 0.00 0.00 179.01 179.81 2wa9 n ASN 95 N -3.73 2.45 -3.38 3.06 5.03 -1.06 -4.95 115.26 112.67 2wa9 n ASN 95 Ca -0.01 -2.15 -0.23 0.00 0.87 0.00 0.00 54.58 53.06 2wa9 n ASN 95 Cb 0.60 -0.36 0.06 0.00 -1.02 0.00 0.00 39.78 39.06 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 0.51 -6.87 -4.26 3.52 1.02 -0.64 -5.01 120.64 108.90 2wa9 n GLU 96 Ca 0.13 0.86 -0.28 0.00 -0.02 0.00 0.00 57.16 57.85 2wa9 n GLU 96 Cb 0.45 -5.85 -0.10 0.00 -0.02 0.00 0.00 31.44 25.92 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 2.67 -2.09 -0.32 3.76 -0.24 -5.02 115.29 110.77 2wa9 s HIS 97 Ca 0.48 -0.20 0.14 0.00 -0.15 0.00 0.00 55.06 55.33 2wa9 s HIS 97 Cb -0.21 -1.36 0.48 0.00 1.11 0.00 0.00 32.58 32.60 2wa9 s HIS 97 CO 0.60 0.46 1.36 -0.35 -0.85 0.00 0.00 174.74 175.96 2wa9 n PRO 98 N 0.41 1.67 -1.70 8.40 -0.04 -1.26 -4.09 135.00 138.39 2wa9 n PRO 98 Ca -0.13 -1.03 -0.57 0.00 -0.04 0.00 0.00 63.50 61.74 2wa9 n PRO 98 Cb 0.54 -1.29 -0.07 0.00 -0.04 0.00 0.00 33.50 32.64 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 0.30 2.37 -4.57 1.53 7.94 -1.26 -4.93 117.00 118.38 2wa9 n LEU 99 Ca 0.12 1.07 -0.35 0.00 -1.11 0.00 0.00 56.01 55.75 2wa9 n LEU 99 Cb 0.27 -1.16 -0.11 0.00 0.53 0.00 0.00 43.42 42.96 2wa9 n LEU 99 CO 0.09 -0.47 -0.27 -0.22 -1.11 0.00 0.00 177.39 175.41 2wa9 s LEU 100 N 3.27 3.64 -0.08 -1.96 1.98 -1.26 -4.84 118.68 119.42 2wa9 s LEU 100 Ca 0.97 -0.02 0.04 0.00 -2.89 0.00 0.00 54.13 52.22 2wa9 s LEU 100 Cb -1.04 -1.93 0.00 0.00 0.66 0.00 0.00 46.19 43.88 2wa9 s LEU 100 CO 0.63 0.12 -0.20 0.00 -1.89 0.00 0.00 176.35 175.00 2wa9 s THR 102 N 0.36 0.59 0.05 0.00 -1.32 0.58 -4.90 115.64 111.00 2wa9 s THR 102 Ca -0.15 -2.00 0.04 0.00 -1.21 0.00 0.00 61.69 58.36 2wa9 s THR 102 Cb -0.17 -2.59 -0.04 0.00 -1.51 0.00 0.00 72.50 68.19 2wa9 s THR 102 CO 0.07 -0.05 -0.01 -0.76 -2.21 0.00 0.00 174.62 171.66 2wa9 s LEU 103 N -3.31 3.44 -0.15 9.08 1.43 -1.26 -1.38 118.68 126.53 2wa9 s LEU 103 Ca 0.36 -0.12 -0.09 0.00 -1.03 0.00 0.00 54.13 53.25 2wa9 s LEU 103 Cb 0.08 -2.08 0.05 0.00 0.03 0.00 0.00 46.19 44.26 2wa9 s LEU 103 CO 0.13 0.22 0.37 -0.70 0.23 0.00 0.00 176.35 176.60 2wa9 s GLU 104 N -1.95 0.37 -1.14 1.70 2.12 -1.03 -4.98 118.70 113.79 2wa9 s GLU 104 Ca 0.23 0.66 -0.22 0.00 0.36 0.00 0.00 54.97 56.00 2wa9 s GLU 104 Cb -0.12 0.02 -0.04 0.00 0.26 0.00 0.00 34.13 34.26 2wa9 s GLU 104 CO 0.14 -0.13 1.86 0.21 -0.54 0.00 0.00 175.26 176.80 2wa9 s LYS 105 N 1.04 2.90 0.27 4.30 2.20 -1.26 -0.12 119.74 129.07 2wa9 s LYS 105 Ca -0.07 -1.16 0.21 0.00 -0.36 0.00 0.00 55.97 54.59 2wa9 s LYS 105 Cb -0.07 -5.28 0.92 0.00 -1.51 0.00 0.00 37.83 31.89 2wa9 s LYS 105 CO -0.08 -3.37 0.95 0.00 -0.36 0.00 0.00 175.35 172.48 2wa9 n ALA 106 N 12.64 0.86 -0.08 3.13 0.00 -1.15 -4.68 120.51 131.22 2wa9 n ALA 106 Ca 0.44 0.52 0.00 0.00 0.00 0.00 0.00 53.44 54.40 2wa9 n ALA 106 Cb 0.47 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 19.27 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 -1.34 1.35 0.81 0.00 0.00 -1.24 -5.05 105.19 99.72 2wa9 n GLY 107 Ca 0.25 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.37 2wa9 n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32