#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 2.28 0.23 1.97 0.02 -1.26 -5.06 135.00 133.17 2wa9 s PRO 24 Ca 0.00 0.25 -0.30 0.00 0.02 0.00 0.00 61.00 60.97 2wa9 s PRO 24 Cb 0.00 -1.97 -0.09 0.00 0.02 0.00 0.00 34.50 32.46 2wa9 s PRO 24 CO 0.00 -1.40 1.26 -2.14 -0.33 0.00 0.00 177.00 174.39 2wa9 s PRO 25 N -5.49 4.43 -0.26 5.54 0.02 -1.26 -5.03 135.00 132.95 2wa9 s PRO 25 Ca 0.61 2.02 -0.15 0.00 0.02 0.00 0.00 61.00 63.50 2wa9 s PRO 25 Cb -0.11 -3.18 -0.04 0.00 0.02 0.00 0.00 34.50 31.19 2wa9 s PRO 25 CO 0.50 -0.16 0.36 -1.12 -0.33 0.00 0.00 177.00 176.25 2wa9 s SER 26 N 0.02 6.26 0.13 2.53 0.01 -1.26 -5.09 113.70 116.29 2wa9 s SER 26 Ca 0.53 0.29 -0.15 0.00 1.31 0.00 0.00 55.95 57.94 2wa9 s SER 26 Cb -0.36 -2.20 -0.07 0.00 0.21 0.00 0.00 66.02 63.60 2wa9 s SER 26 CO 0.41 -0.15 0.54 -0.04 0.41 0.00 0.00 173.24 174.41 2wa9 s MET 27 N 1.91 4.01 -0.07 12.44 -1.94 -1.26 -2.12 119.30 132.26 2wa9 s MET 27 Ca 0.15 0.52 0.02 0.00 -1.71 0.00 0.00 55.69 54.66 2wa9 s MET 27 Cb -0.16 -2.99 0.02 0.00 2.01 0.00 0.00 34.83 33.71 2wa9 s MET 27 CO 0.09 0.52 -0.11 0.71 -0.01 0.00 0.00 175.02 176.22 2wa9 s TYR 28 N -1.39 1.39 0.08 -0.03 1.51 0.38 -1.33 117.35 117.95 2wa9 s TYR 28 Ca 0.36 -0.53 -0.31 0.00 -1.01 0.00 0.00 57.07 55.58 2wa9 s TYR 28 Cb -0.16 -1.05 -0.06 0.00 -0.11 0.00 0.00 41.96 40.58 2wa9 s TYR 28 CO 0.19 -0.30 1.27 0.15 -1.11 0.00 0.00 175.55 175.74 2wa9 s LYS 29 N 0.84 4.39 -0.37 -0.62 1.02 0.11 -1.14 119.74 123.97 2wa9 s LYS 29 Ca -0.11 1.88 -0.12 0.00 0.02 0.00 0.00 55.97 57.63 2wa9 s LYS 29 Cb -0.15 -3.31 0.01 0.00 -0.52 0.00 0.00 37.83 33.86 2wa9 s LYS 29 CO 0.02 -0.32 0.24 0.08 -0.92 0.00 0.00 175.35 174.44 2wa9 s VAL 30 N 1.09 4.92 0.02 3.17 1.01 0.67 -2.40 120.40 128.88 2wa9 s VAL 30 Ca 0.61 -0.64 0.06 0.00 0.00 0.00 0.00 61.98 62.01 2wa9 s VAL 30 Cb -0.32 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.34 2wa9 s VAL 30 CO 0.29 -0.19 -0.17 -0.63 0.00 0.00 0.00 175.10 174.41 2wa9 s ILE 31 N 1.63 2.89 -0.15 2.22 1.01 -0.46 -0.65 121.20 127.69 2wa9 s ILE 31 Ca 0.04 -1.05 -0.00 0.00 0.00 0.00 0.00 60.65 59.64 2wa9 s ILE 31 Cb -0.19 -2.20 -0.01 0.00 0.01 0.00 0.00 42.46 40.08 2wa9 s ILE 31 CO 0.08 0.40 -0.14 -0.22 0.00 0.00 0.00 174.94 175.07 2wa9 s LEU 32 N -1.26 2.57 -0.10 2.97 2.96 -0.41 -0.51 118.68 124.90 2wa9 s LEU 32 Ca 0.14 -0.42 -0.01 0.00 -0.22 0.00 0.00 54.13 53.62 2wa9 s LEU 32 Cb -0.11 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 44.97 2wa9 s LEU 32 CO 0.04 0.11 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.42 2wa9 s VAL 33 N 0.70 3.68 0.44 1.68 1.01 -0.39 -1.36 120.40 126.15 2wa9 s VAL 33 Ca -0.07 -0.46 -0.23 0.00 0.00 0.00 0.00 61.98 61.21 2wa9 s VAL 33 Cb -0.15 -2.54 -0.08 0.00 0.00 0.00 0.00 36.38 33.60 2wa9 s VAL 33 CO 0.02 0.56 1.14 0.21 0.00 0.00 0.00 175.10 177.03 2wa9 s ASN 34 N -0.29 6.35 -0.06 3.32 2.47 -0.85 -4.12 114.94 121.76 2wa9 s ASN 34 Ca 0.04 2.26 -0.17 0.00 0.42 0.00 0.00 52.86 55.41 2wa9 s ASN 34 Cb -0.13 -2.60 0.03 0.00 -1.45 0.00 0.00 41.25 37.11 2wa9 s ASN 34 CO 0.02 -0.79 0.38 1.51 -3.72 0.00 0.00 177.10 174.51 2wa9 s ASP 35 N -1.37 -0.31 0.00 -4.21 1.47 -1.26 -4.98 116.67 106.01 2wa9 s ASP 35 Ca 0.61 0.37 0.06 0.00 1.18 0.00 0.00 52.55 54.77 2wa9 s ASP 35 Cb -0.28 0.48 0.37 0.00 -0.34 0.00 0.00 42.92 43.16 2wa9 s ASP 35 CO 0.34 -0.38 0.78 0.47 0.68 0.00 0.00 175.17 177.06 2wa9 n ASP 36 N 1.68 0.00 -0.02 2.11 8.00 -1.26 -3.84 116.55 123.22 2wa9 n ASP 36 Ca -0.19 -0.32 -0.02 0.00 0.71 0.00 0.00 54.79 54.97 2wa9 n ASP 36 Cb 0.56 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.65 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 -0.88 0.00 -1.75 1.24 4.01 -1.26 -4.98 117.16 113.55 2wa9 n TYR 37 Ca 0.05 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.36 2wa9 n TYR 37 Cb 0.02 -0.12 -0.03 0.00 -0.31 0.00 0.00 39.34 38.90 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 -2.06 3.17 0.56 -0.72 2.01 -1.25 -4.95 115.64 112.40 2wa9 s THR 38 Ca -0.04 0.19 -0.18 0.00 0.31 0.00 0.00 61.69 61.97 2wa9 s THR 38 Cb 0.01 -3.15 -0.09 0.00 0.01 0.00 0.00 72.50 69.28 2wa9 s THR 38 CO 0.07 -0.05 0.52 -2.65 -0.69 0.00 0.00 174.62 171.82 2wa9 n PRO 39 N 7.83 0.51 0.06 4.92 -0.02 -1.26 -4.89 135.00 142.14 2wa9 n PRO 39 Ca 0.22 0.20 -0.08 0.00 -2.02 0.00 0.00 63.50 61.82 2wa9 n PRO 39 Cb 0.43 -1.69 0.06 0.00 -0.02 0.00 0.00 33.50 32.28 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 0.25 0.35 -0.98 -0.52 2.86 -2.00 -2.80 114.93 112.09 2wa9 h MET 40 Ca -0.45 -0.27 0.09 0.00 -2.06 0.00 0.00 59.70 57.01 2wa9 h MET 40 Cb 1.40 0.05 -0.07 0.00 0.06 0.00 0.00 31.60 33.04 2wa9 h MET 40 CO 0.47 0.90 0.63 0.93 1.06 0.00 0.00 176.91 180.90 2wa9 h GLU 41 N 0.25 1.02 -0.23 1.72 4.39 -1.99 -1.42 114.58 118.32 2wa9 h GLU 41 Ca -0.02 -0.06 -0.15 0.00 0.34 0.00 0.00 59.36 59.47 2wa9 h GLU 41 Cb 1.22 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.63 2wa9 h GLU 41 CO 0.11 0.67 -0.47 0.35 -1.16 0.00 0.00 179.01 178.52 2wa9 h PHE 42 N 1.05 0.74 -0.43 4.33 3.57 -1.87 0.42 116.94 124.75 2wa9 h PHE 42 Ca 0.45 -0.24 -0.09 0.00 3.53 0.00 0.00 57.97 61.63 2wa9 h PHE 42 Cb 0.34 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 2wa9 h PHE 42 CO -0.00 0.96 -0.09 0.28 -2.23 0.00 0.00 178.31 177.23 2wa9 h VAL 43 N 0.48 1.25 -0.55 1.41 2.07 -1.26 -0.26 116.25 119.40 2wa9 h VAL 43 Ca 0.03 -1.12 -0.02 0.00 0.82 0.00 0.00 66.70 66.40 2wa9 h VAL 43 Cb 1.00 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 2wa9 h VAL 43 CO 0.09 0.38 0.26 0.40 0.02 0.00 0.00 177.57 178.73 2wa9 h ILE 44 N 0.69 1.20 -0.07 4.57 2.04 -0.62 -0.67 117.51 124.65 2wa9 h ILE 44 Ca 0.12 -0.58 0.04 0.00 1.00 0.00 0.00 64.86 65.44 2wa9 h ILE 44 Cb 0.55 0.57 -0.06 0.00 -0.74 0.00 0.00 36.82 37.15 2wa9 h ILE 44 CO 0.03 0.23 -0.34 -0.78 0.00 0.00 0.00 178.15 177.30 2wa9 h ASP 45 N 0.74 -1.03 -0.41 1.72 3.58 0.37 -1.60 116.42 119.79 2wa9 h ASP 45 Ca 0.19 0.14 0.07 0.00 0.42 0.00 0.00 57.03 57.85 2wa9 h ASP 45 Cb 0.12 0.42 -0.06 0.00 1.72 0.00 0.00 39.33 41.54 2wa9 h ASP 45 CO -0.02 -0.38 0.04 0.58 -2.88 0.00 0.00 179.24 176.57 2wa9 h VAL 46 N -0.45 0.73 -0.53 2.25 2.07 -0.86 -0.67 116.25 118.79 2wa9 h VAL 46 Ca 0.08 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 2wa9 h VAL 46 Cb 0.57 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 2wa9 h VAL 46 CO -0.32 0.03 0.26 -0.07 0.02 0.00 0.00 177.57 177.48 2wa9 h LEU 47 N 0.15 0.67 0.01 2.57 3.38 -0.77 -1.34 115.31 119.99 2wa9 h LEU 47 Ca 0.20 -0.06 -0.23 0.00 0.09 0.00 0.00 57.88 57.88 2wa9 h LEU 47 Cb 0.27 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2wa9 h LEU 47 CO -0.30 0.57 -1.07 1.56 0.09 0.00 0.00 178.44 179.29 2wa9 h GLN 48 N 0.75 0.11 0.18 1.13 4.20 -0.79 -2.69 115.11 118.00 2wa9 h GLN 48 Ca 0.19 -0.18 -0.33 0.00 0.06 0.00 0.00 58.65 58.38 2wa9 h GLN 48 Cb 0.08 0.07 0.01 0.00 0.30 0.00 0.00 27.48 27.94 2wa9 h GLN 48 CO -0.03 1.07 -1.60 -0.22 -0.67 0.00 0.00 178.83 177.38 2wa9 h LYS 49 N 0.03 0.38 -0.01 1.46 3.64 -0.88 -3.10 116.57 118.10 2wa9 h LYS 49 Ca -0.06 -0.66 0.00 0.00 -1.27 0.00 0.00 60.65 58.67 2wa9 h LYS 49 Cb 1.81 0.24 0.00 0.00 -0.41 0.00 0.00 32.23 33.87 2wa9 h LYS 49 CO 0.16 1.29 -0.25 1.19 -2.27 0.00 0.00 179.45 179.57 2wa9 n PHE 50 N -3.58 0.00 -0.10 1.91 3.72 -0.53 -4.61 117.46 114.28 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 1.07 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.61 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 -0.40 0.00 -2.06 1.38 3.01 -1.03 -5.01 117.46 113.35 2wa9 n PHE 51 Ca 0.04 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.32 2wa9 n PHE 51 Cb 0.20 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.64 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 -0.35 -5.07 -4.76 4.37 7.64 -1.10 -4.98 113.62 109.38 2wa9 n SER 52 Ca 0.00 0.21 -0.36 0.00 1.01 0.00 0.00 58.87 59.74 2wa9 n SER 52 Cb 0.02 -4.35 0.02 0.00 -1.01 0.00 0.00 64.21 58.89 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 -2.75 2.52 0.66 1.43 2.02 -1.11 -5.00 117.35 115.11 2wa9 s TYR 53 Ca 0.00 1.53 -0.09 0.00 -0.37 0.00 0.00 57.07 58.14 2wa9 s TYR 53 Cb 0.00 -3.39 0.02 0.00 -0.40 0.00 0.00 41.96 38.18 2wa9 s TYR 53 CO 0.00 -1.92 1.01 0.16 -1.57 0.00 0.00 175.55 173.23 2wa9 s ASP 54 N -1.68 5.42 0.27 2.29 -4.77 -1.26 -4.42 116.67 112.52 2wa9 s ASP 54 Ca 0.75 0.89 0.01 0.00 -3.30 0.00 0.00 52.55 50.90 2wa9 s ASP 54 Cb -0.27 -1.75 0.60 0.00 -1.09 0.00 0.00 42.92 40.41 2wa9 s ASP 54 CO 0.30 -1.27 1.74 0.58 0.70 0.00 0.00 175.17 177.23 2wa9 h VAL 55 N -0.47 0.64 0.53 2.11 2.07 -1.97 -1.44 116.25 117.72 2wa9 h VAL 55 Ca -0.45 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 2wa9 h VAL 55 Cb 1.26 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 2wa9 h VAL 55 CO 0.62 0.10 -0.30 -0.33 0.02 0.00 0.00 177.57 177.68 2wa9 h GLU 56 N 0.54 -0.74 -0.56 1.57 5.08 -2.01 -2.10 114.58 116.37 2wa9 h GLU 56 Ca 0.50 0.05 0.09 0.00 -1.00 0.00 0.00 59.36 59.00 2wa9 h GLU 56 Cb 0.80 0.17 -0.07 0.00 0.50 0.00 0.00 28.75 30.15 2wa9 h GLU 56 CO -0.42 -0.49 0.16 0.00 -1.00 0.00 0.00 179.01 177.26 2wa9 h ARG 57 N -0.76 0.31 -1.17 2.33 2.47 -1.88 -0.98 114.38 114.69 2wa9 h ARG 57 Ca -0.07 -0.02 0.33 0.00 -1.26 0.00 0.00 59.98 58.96 2wa9 h ARG 57 Cb 0.60 -0.07 -0.08 0.00 -1.65 0.00 0.00 29.97 28.78 2wa9 h ARG 57 CO 0.09 0.21 0.80 0.00 0.56 0.00 0.00 179.97 181.63 2wa9 h ALA 58 N 1.41 2.74 0.01 0.04 0.00 -1.13 -0.94 119.26 121.39 2wa9 h ALA 58 Ca 0.28 0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.97 2wa9 h ALA 58 Cb 0.36 0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.25 2wa9 h ALA 58 CO -0.32 -1.15 -0.93 1.15 0.00 0.00 0.00 179.25 178.00 2wa9 h THR 59 N 0.17 1.32 -0.02 0.00 2.02 -0.47 -1.27 112.91 114.66 2wa9 h THR 59 Ca 0.62 -2.21 0.03 0.00 0.77 0.00 0.00 66.41 65.62 2wa9 h THR 59 Cb 2.05 2.46 -0.06 0.00 -1.74 0.00 0.00 68.15 70.87 2wa9 h THR 59 CO -0.17 0.67 -0.45 1.56 0.37 0.00 0.00 175.52 177.50 2wa9 h GLN 60 N 0.24 -0.57 -0.82 6.66 7.50 -1.10 -0.02 115.11 127.01 2wa9 h GLN 60 Ca -0.12 0.04 0.01 0.00 0.50 0.00 0.00 58.65 59.08 2wa9 h GLN 60 Cb 1.60 0.13 -0.04 0.00 0.05 0.00 0.00 27.48 29.22 2wa9 h GLN 60 CO 0.18 -0.38 0.53 -0.07 -1.50 0.00 0.00 178.83 177.59 2wa9 h LEU 61 N -0.59 0.94 0.07 1.46 4.07 -1.41 -0.68 115.31 119.17 2wa9 h LEU 61 Ca 0.04 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.98 2wa9 h LEU 61 Cb 0.67 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.17 2wa9 h LEU 61 CO -0.34 0.69 -0.08 -0.03 -1.08 0.00 0.00 178.44 177.60 2wa9 h MET 62 N 1.11 -0.16 -0.65 1.13 4.05 -0.82 0.19 114.93 119.78 2wa9 h MET 62 Ca 0.30 0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.76 2wa9 h MET 62 Cb -0.11 0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 30.69 2wa9 h MET 62 CO -0.06 -0.11 0.43 -0.07 0.23 0.00 0.00 176.91 177.33 2wa9 h LEU 63 N -0.17 0.68 0.04 3.39 -0.00 -0.73 0.11 115.31 118.63 2wa9 h LEU 63 Ca 0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2wa9 h LEU 63 Cb 0.17 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 40.67 2wa9 h LEU 63 CO -0.03 0.47 -0.02 0.00 -0.00 0.00 0.00 178.44 178.86 2wa9 h ALA 64 N 1.62 -0.05 -0.68 1.53 0.00 -0.04 0.27 119.26 121.91 2wa9 h ALA 64 Ca 0.26 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.16 2wa9 h ALA 64 Cb 0.05 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 2wa9 h ALA 64 CO -0.07 -0.48 0.38 0.28 0.00 0.00 0.00 179.25 179.37 2wa9 h VAL 65 N -0.17 0.98 -0.61 0.00 2.07 -0.01 0.36 116.25 118.88 2wa9 h VAL 65 Ca -0.01 -0.24 -0.05 0.00 0.82 0.00 0.00 66.70 67.22 2wa9 h VAL 65 Cb 0.15 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.10 2wa9 h VAL 65 CO 0.01 0.13 0.20 -0.74 0.02 0.00 0.00 177.57 177.18 2wa9 h HIS 66 N 0.71 0.97 0.00 1.57 6.17 -0.52 -2.23 115.15 121.82 2wa9 h HIS 66 Ca 0.30 -0.09 -0.38 0.00 0.71 0.00 0.00 60.37 60.90 2wa9 h HIS 66 Cb 0.17 -0.28 -0.07 0.00 2.52 0.00 0.00 27.41 29.75 2wa9 h HIS 66 CO -0.07 0.80 -2.44 0.66 0.71 0.00 0.00 177.93 177.59 2wa9 n TYR 67 N -4.40 0.00 0.34 5.26 4.01 0.90 -4.39 117.16 118.88 2wa9 n TYR 67 Ca 0.03 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.89 2wa9 n TYR 67 Cb 0.20 -1.00 0.10 0.00 -0.31 0.00 0.00 39.34 38.34 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 -0.45 -3.48 115.11 114.66 2wa9 h GLN 68 Ca -0.57 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.14 2wa9 h GLN 68 Cb 2.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.83 2wa9 h GLN 68 CO -0.04 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.53 2wa9 n GLY 69 N 1.25 0.64 3.63 3.46 0.00 -0.84 -5.01 105.19 108.32 2wa9 n GLY 69 Ca 0.02 0.00 -0.03 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 -0.78 0.10 -0.13 1.61 -2.85 -1.20 -2.01 119.74 114.48 2wa9 s LYS 70 Ca 0.00 -0.02 -0.08 0.00 -1.00 0.00 0.00 55.97 54.87 2wa9 s LYS 70 Cb 0.00 0.05 0.05 0.00 -2.06 0.00 0.00 37.83 35.86 2wa9 s LYS 70 CO 0.00 -0.04 0.32 0.00 0.10 0.00 0.00 175.35 175.73 2wa9 s ALA 71 N -1.82 -0.77 -0.58 0.59 0.00 -0.46 -4.18 121.76 114.53 2wa9 s ALA 71 Ca 0.10 1.14 -0.28 0.00 0.00 0.00 0.00 51.96 52.93 2wa9 s ALA 71 Cb -0.01 -0.70 0.01 0.00 0.00 0.00 0.00 23.12 22.42 2wa9 s ALA 71 CO -0.04 -0.21 1.46 0.42 0.00 0.00 0.00 175.76 177.39 2wa9 s ILE 72 N 1.02 3.72 0.05 0.00 1.01 -1.26 -1.28 121.20 124.44 2wa9 s ILE 72 Ca -0.07 0.57 -0.26 0.00 0.00 0.00 0.00 60.65 60.89 2wa9 s ILE 72 Cb -0.08 -4.42 -0.17 0.00 0.01 0.00 0.00 42.46 37.81 2wa9 s ILE 72 CO -0.08 -1.21 1.50 0.00 0.00 0.00 0.00 174.94 175.16 2wa9 s GLY 74 N -2.46 -0.02 -0.15 0.00 0.00 -1.19 -5.02 107.32 98.48 2wa9 s GLY 74 Ca -0.15 -0.31 0.01 0.00 0.00 0.00 0.00 44.72 44.27 2wa9 s GLY 74 CO 0.62 -0.25 -0.15 0.14 0.00 0.00 0.00 173.10 173.46 2wa9 s VAL 75 N -3.90 1.64 0.29 1.40 1.01 -1.26 -0.24 120.40 119.34 2wa9 s VAL 75 Ca 0.11 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.44 2wa9 s VAL 75 Cb -0.02 -1.52 -0.06 0.00 0.00 0.00 0.00 36.38 34.78 2wa9 s VAL 75 CO 0.01 0.47 0.08 -0.36 0.00 0.00 0.00 175.10 175.30 2wa9 s PHE 76 N 1.41 1.74 0.62 5.22 0.40 -0.29 -4.89 117.98 122.19 2wa9 s PHE 76 Ca 0.04 -1.08 -0.13 0.00 -0.60 0.00 0.00 56.93 55.16 2wa9 s PHE 76 Cb -0.13 -1.08 -0.03 0.00 0.51 0.00 0.00 43.02 42.29 2wa9 s PHE 76 CO -0.10 -0.18 1.04 0.95 0.70 0.00 0.00 175.22 177.63 2wa9 s THR 77 N -3.54 4.28 0.03 0.64 -4.23 -1.26 0.14 115.64 111.70 2wa9 s THR 77 Ca 0.37 0.87 -0.05 0.00 -1.18 0.00 0.00 61.69 61.70 2wa9 s THR 77 Cb 0.08 -3.59 -0.01 0.00 1.34 0.00 0.00 72.50 70.32 2wa9 s THR 77 CO 0.15 -0.84 0.82 0.00 -0.54 0.00 0.00 174.62 174.21 2wa9 n ALA 78 N -2.50 -0.11 -0.15 3.99 0.00 -0.90 -0.88 120.51 119.96 2wa9 n ALA 78 Ca 0.07 0.14 -0.03 0.00 0.00 0.00 0.00 53.44 53.62 2wa9 n ALA 78 Cb 0.54 0.26 0.06 0.00 0.00 0.00 0.00 19.45 20.31 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 0.29 -0.90 0.00 5.08 -1.94 -1.42 114.58 115.70 2wa9 h GLU 79 Ca 0.03 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2wa9 h GLU 79 Cb 0.07 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 2wa9 h GLU 79 CO -0.15 0.19 0.52 0.28 -1.00 0.00 0.00 179.01 178.85 2wa9 h VAL 80 N 0.30 1.25 -0.45 3.13 2.07 -1.77 -2.13 116.25 118.65 2wa9 h VAL 80 Ca 0.23 -0.58 -0.14 0.00 0.82 0.00 0.00 66.70 67.03 2wa9 h VAL 80 Cb 0.27 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 2wa9 h VAL 80 CO -0.26 0.27 -0.25 0.00 0.02 0.00 0.00 177.57 177.35 2wa9 h ALA 81 N 1.28 0.70 0.37 1.67 0.00 -0.19 -1.29 119.26 121.80 2wa9 h ALA 81 Ca 0.32 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2wa9 h ALA 81 Cb -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2wa9 h ALA 81 CO -0.06 0.67 -0.18 0.93 0.00 0.00 0.00 179.25 180.62 2wa9 h GLU 82 N 0.81 -0.47 -0.78 0.00 5.08 -1.12 0.81 114.58 118.91 2wa9 h GLU 82 Ca 0.10 0.03 0.18 0.00 -1.00 0.00 0.00 59.36 58.67 2wa9 h GLU 82 Cb 0.82 0.11 -0.12 0.00 0.50 0.00 0.00 28.75 30.06 2wa9 h GLU 82 CO 0.07 -0.31 0.20 1.15 -1.00 0.00 0.00 179.01 179.12 2wa9 h THR 83 N -0.49 0.47 0.72 1.13 2.02 -1.23 -1.44 112.91 114.09 2wa9 h THR 83 Ca -0.05 -0.09 -0.04 0.00 0.77 0.00 0.00 66.41 67.00 2wa9 h THR 83 Cb 0.38 0.18 0.01 0.00 -1.74 0.00 0.00 68.15 66.97 2wa9 h THR 83 CO 0.08 0.05 -0.35 0.11 0.37 0.00 0.00 175.52 175.78 2wa9 h LYS 84 N 0.27 -0.93 -0.47 6.66 1.79 -0.82 -1.17 116.57 121.89 2wa9 h LYS 84 Ca 0.45 0.06 0.07 0.00 -2.18 0.00 0.00 60.65 59.05 2wa9 h LYS 84 Cb 0.81 0.21 -0.09 0.00 -1.58 0.00 0.00 32.23 31.58 2wa9 h LYS 84 CO -0.54 -0.60 -0.49 0.28 -1.08 0.00 0.00 179.45 177.02 2wa9 h VAL 85 N -1.12 0.05 -0.11 0.50 2.07 -0.52 0.20 116.25 117.33 2wa9 h VAL 85 Ca -0.10 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.44 2wa9 h VAL 85 Cb 0.77 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 2wa9 h VAL 85 CO 0.16 0.00 0.08 0.00 0.02 0.00 0.00 177.57 177.83 2wa9 h ALA 86 N 0.27 2.00 -0.09 1.67 0.00 -1.30 0.03 119.26 121.83 2wa9 h ALA 86 Ca 0.12 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 2wa9 h ALA 86 Cb 0.58 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2wa9 h ALA 86 CO -0.62 -0.02 -0.33 1.98 0.00 0.00 0.00 179.25 180.26 2wa9 h MET 87 N 0.09 0.39 -0.17 0.00 -1.53 0.45 -1.43 114.93 112.73 2wa9 h MET 87 Ca 0.05 -0.29 -0.14 0.00 -3.44 0.00 0.00 59.70 55.88 2wa9 h MET 87 Cb 0.08 0.05 -0.01 0.00 -0.55 0.00 0.00 31.60 31.18 2wa9 h MET 87 CO -0.01 0.92 -0.48 0.28 0.14 0.00 0.00 176.91 177.76 2wa9 h VAL 88 N -0.07 1.32 -0.01 -5.77 2.07 0.20 -1.35 116.25 112.65 2wa9 h VAL 88 Ca -0.01 -1.70 -0.23 0.00 0.82 0.00 0.00 66.70 65.57 2wa9 h VAL 88 Cb 0.96 1.73 0.01 0.00 -1.52 0.00 0.00 31.29 32.46 2wa9 h VAL 88 CO 0.07 0.52 -0.95 0.78 0.02 0.00 0.00 177.57 178.01 2wa9 h ASN 89 N 0.35 0.62 -0.02 0.57 2.35 -1.04 -2.27 115.58 116.14 2wa9 h ASN 89 Ca 0.02 -0.49 0.00 0.00 -0.55 0.00 0.00 56.30 55.28 2wa9 h ASN 89 Cb 0.98 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 39.16 2wa9 h ASN 89 CO 0.09 1.29 0.01 0.50 -1.65 0.00 0.00 177.43 177.67 2wa9 h LYS 90 N 0.28 0.02 -0.67 0.81 1.63 -0.95 -1.38 116.57 116.31 2wa9 h LYS 90 Ca -0.09 -0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.69 2wa9 h LYS 90 Cb 1.59 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 33.18 2wa9 h LYS 90 CO 0.17 0.04 0.31 -0.92 -3.45 0.00 0.00 179.45 175.60 2wa9 h TYR 91 N 0.00 0.95 -0.34 1.91 3.20 -1.27 -1.95 116.97 119.46 2wa9 h TYR 91 Ca 0.01 -0.04 -0.12 0.00 3.14 0.00 0.00 58.73 61.72 2wa9 h TYR 91 Cb 0.02 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 37.99 2wa9 h TYR 91 CO -0.07 0.70 -0.25 0.00 -1.64 0.00 0.00 178.16 176.89 2wa9 h ALA 92 N 1.40 0.49 -0.36 1.82 0.00 -1.21 -2.47 119.26 118.93 2wa9 h ALA 92 Ca 0.23 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 2wa9 h ALA 92 Cb 0.11 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2wa9 h ALA 92 CO -0.03 0.49 -0.25 0.00 0.00 0.00 0.00 179.25 179.46 2wa9 h ARG 93 N 0.56 0.73 0.00 0.00 2.47 -0.87 -0.11 114.38 117.16 2wa9 h ARG 93 Ca 0.07 -0.31 -0.10 0.00 -1.26 0.00 0.00 59.98 58.38 2wa9 h ARG 93 Cb 0.82 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 29.09 2wa9 h ARG 93 CO 0.07 0.91 -0.47 1.05 0.56 0.00 0.00 179.97 182.09 2wa9 h GLU 94 N 0.63 0.00 -0.55 0.04 4.11 -1.34 -2.07 114.58 115.41 2wa9 h GLU 94 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.51 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 0.47 0.00 0.09 0.07 0.00 0.00 179.01 179.70 2wa9 n ASN 95 N -3.63 2.90 -3.14 3.06 5.03 -0.93 -4.94 115.26 113.62 2wa9 n ASN 95 Ca -0.01 -2.18 -0.22 0.00 0.87 0.00 0.00 54.58 53.05 2wa9 n ASN 95 Cb 0.56 -0.40 0.05 0.00 -1.02 0.00 0.00 39.78 38.97 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 0.70 -5.97 -4.54 3.52 1.02 -0.51 -5.00 120.64 109.85 2wa9 n GLU 96 Ca 0.16 0.84 -0.30 0.00 -0.02 0.00 0.00 57.16 57.84 2wa9 n GLU 96 Cb 0.52 -5.70 -0.13 0.00 -0.02 0.00 0.00 31.44 26.12 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 -3.22 2.49 -2.07 -0.32 3.76 -0.17 -5.02 115.29 110.74 2wa9 s HIS 97 Ca 0.41 -0.29 0.16 0.00 -0.15 0.00 0.00 55.06 55.19 2wa9 s HIS 97 Cb -0.18 -1.39 0.83 0.00 1.11 0.00 0.00 32.58 32.95 2wa9 s HIS 97 CO 0.50 0.29 1.55 -0.35 -0.85 0.00 0.00 174.74 175.89 2wa9 n PRO 98 N 1.26 1.22 -1.70 8.40 -0.04 -1.26 -4.10 135.00 138.78 2wa9 n PRO 98 Ca -0.16 -0.33 -0.55 0.00 -0.04 0.00 0.00 63.50 62.41 2wa9 n PRO 98 Cb 0.52 -1.28 -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 -0.41 2.68 -4.68 1.53 7.94 -1.26 -4.93 117.00 117.87 2wa9 n LEU 99 Ca 0.13 1.05 -0.36 0.00 -1.11 0.00 0.00 56.01 55.71 2wa9 n LEU 99 Cb 0.13 -1.20 -0.09 0.00 0.53 0.00 0.00 43.42 42.79 2wa9 n LEU 99 CO 0.10 -0.32 -0.15 -0.22 -1.11 0.00 0.00 177.39 175.68 2wa9 s LEU 100 N 3.71 4.15 -0.12 -1.96 1.98 -1.26 -4.84 118.68 120.34 2wa9 s LEU 100 Ca 0.97 0.19 0.02 0.00 -2.89 0.00 0.00 54.13 52.42 2wa9 s LEU 100 Cb -0.97 -2.14 -0.00 0.00 0.66 0.00 0.00 46.19 43.73 2wa9 s LEU 100 CO 0.62 0.09 -0.20 0.00 -1.89 0.00 0.00 176.35 174.97 2wa9 s THR 102 N 0.41 0.55 0.10 0.00 -1.32 0.34 -4.89 115.64 110.83 2wa9 s THR 102 Ca -0.15 -2.00 0.09 0.00 -1.21 0.00 0.00 61.69 58.42 2wa9 s THR 102 Cb -0.17 -2.48 -0.04 0.00 -1.51 0.00 0.00 72.50 68.30 2wa9 s THR 102 CO 0.07 0.00 -0.18 -0.76 -2.21 0.00 0.00 174.62 171.53 2wa9 s LEU 103 N -3.49 2.67 -0.25 9.08 1.43 -1.26 -1.36 118.68 125.50 2wa9 s LEU 103 Ca 0.31 -0.53 -0.13 0.00 -1.03 0.00 0.00 54.13 52.74 2wa9 s LEU 103 Cb 0.04 -1.53 0.08 0.00 0.03 0.00 0.00 46.19 44.81 2wa9 s LEU 103 CO 0.16 0.20 0.60 -0.70 0.23 0.00 0.00 176.35 176.84 2wa9 s GLU 104 N -1.97 0.60 0.12 1.70 2.12 -1.01 -4.96 118.70 115.30 2wa9 s GLU 104 Ca 0.17 1.12 -0.35 0.00 0.36 0.00 0.00 54.97 56.26 2wa9 s GLU 104 Cb -0.11 0.15 -0.16 0.00 0.26 0.00 0.00 34.13 34.27 2wa9 s GLU 104 CO 0.09 -0.16 1.28 1.17 -0.54 0.00 0.00 175.26 177.10 2wa9 n LYS 105 N 4.41 1.16 0.12 4.30 3.00 -1.26 0.05 118.16 129.93 2wa9 n LYS 105 Ca -0.20 0.41 -0.11 0.00 -0.00 0.00 0.00 58.31 58.41 2wa9 n LYS 105 Cb 0.57 -2.01 -0.06 0.00 0.00 0.00 0.00 35.03 33.53 2wa9 n LYS 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2wa9 h ALA 106 N 4.15 -0.91 0.00 3.14 0.00 -1.53 -3.42 119.26 120.69 2wa9 h ALA 106 Ca -0.46 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2wa9 h ALA 106 Cb 1.34 0.67 0.00 0.00 0.00 0.00 0.00 17.79 19.79 2wa9 h ALA 106 CO 0.75 -0.97 0.00 0.41 0.00 0.00 0.00 179.25 179.44 2wa9 n GLY 107 N -1.33 1.25 0.31 0.00 0.00 -1.26 -4.93 105.19 99.23 2wa9 n GLY 107 Ca -0.06 -0.01 0.15 0.00 0.00 0.00 0.00 46.02 46.09 2wa9 n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32