#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c57 s LYS 2 N 0.00 4.14 -0.09 2.12 3.01 -1.24 -2.34 119.74 125.33 2c57 s LYS 2 Ca 0.00 -0.17 0.02 0.00 -1.01 0.00 0.00 55.97 54.81 2c57 s LYS 2 Cb 0.00 -3.49 -0.02 0.00 -1.01 0.00 0.00 37.83 33.31 2c57 s LYS 2 CO 0.00 0.14 -0.15 0.42 0.51 0.00 0.00 175.35 176.28 2c57 s ILE 3 N 0.81 2.98 -0.20 2.17 -1.09 0.67 -0.78 121.20 125.76 2c57 s ILE 3 Ca 0.10 -0.72 -0.12 0.00 -2.23 0.00 0.00 60.65 57.68 2c57 s ILE 3 Cb -0.13 -2.20 -0.05 0.00 -1.58 0.00 0.00 42.46 38.50 2c57 s ILE 3 CO 0.03 0.56 0.21 -0.22 -1.23 0.00 0.00 174.94 174.29 2c57 s LEU 4 N -0.18 4.20 -0.25 2.97 2.96 0.06 -1.80 118.68 126.64 2c57 s LEU 4 Ca -0.00 0.32 -0.07 0.00 -0.22 0.00 0.00 54.13 54.16 2c57 s LEU 4 Cb -0.13 -2.22 -0.03 0.00 0.50 0.00 0.00 46.19 44.31 2c57 s LEU 4 CO 0.03 0.11 0.06 -0.69 -1.32 0.00 0.00 176.35 174.54 2c57 s VAL 5 N 0.61 4.20 -0.32 1.68 1.01 0.41 -1.14 120.40 126.85 2c57 s VAL 5 Ca 0.12 -0.21 -0.04 0.00 0.00 0.00 0.00 61.98 61.85 2c57 s VAL 5 Cb -0.12 -2.96 0.05 0.00 0.00 0.00 0.00 36.38 33.34 2c57 s VAL 5 CO 0.02 0.35 0.06 -0.63 0.00 0.00 0.00 175.10 174.90 2c57 s ILE 6 N 1.59 3.40 -0.17 2.22 1.01 0.56 -0.71 121.20 129.09 2c57 s ILE 6 Ca 0.06 -1.29 -0.12 0.00 0.00 0.00 0.00 60.65 59.30 2c57 s ILE 6 Cb -0.15 -2.95 -0.05 0.00 0.01 0.00 0.00 42.46 39.32 2c57 s ILE 6 CO 0.03 -0.17 0.24 -1.10 0.00 0.00 0.00 174.94 173.94 2c57 s GLN 7 N 1.32 4.23 0.00 2.79 -1.52 0.83 -0.46 119.66 126.86 2c57 s GLN 7 Ca -0.03 -0.01 0.00 0.00 -1.95 0.00 0.00 55.36 53.37 2c57 s GLN 7 Cb -0.20 -3.42 0.00 0.00 -0.22 0.00 0.00 33.01 29.17 2c57 s GLN 7 CO 0.01 0.26 0.00 0.41 -0.25 0.00 0.00 175.29 175.72 2c57 n GLY 8 N 3.43 0.27 3.64 3.09 0.00 -0.12 -1.00 105.19 114.50 2c57 n GLY 8 Ca -0.13 -1.87 -0.37 0.00 0.00 0.00 0.00 46.02 43.65 2c57 n GLY 8 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2c57 n PRO 9 N -0.86 0.91 0.00 1.61 -0.04 -0.93 -2.45 135.00 133.24 2c57 n PRO 9 Ca 0.00 0.36 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 2c57 n PRO 9 Cb 0.00 -2.25 0.00 0.00 -0.04 0.00 0.00 33.50 31.21 2c57 n PRO 9 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2c57 n ASN 10 N -1.09 0.00 0.24 3.54 3.02 -1.26 -4.63 115.26 115.08 2c57 n ASN 10 Ca 0.14 0.00 0.17 0.00 -0.03 0.00 0.00 54.58 54.87 2c57 n ASN 10 Cb 0.48 -1.02 0.89 0.00 -0.61 0.00 0.00 39.78 39.51 2c57 n ASN 10 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2c57 h LEU 11 N 0.00 0.00 -1.02 3.41 3.38 -1.83 0.36 115.31 119.60 2c57 h LEU 11 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2c57 h LEU 11 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2c57 h LEU 11 CO 0.00 0.00 0.00 -0.55 0.09 0.00 0.00 178.44 177.98 2c57 h ASN 12 N 0.00 0.00 -0.07 -0.43 -1.07 -1.86 -3.22 115.58 108.93 2c57 h ASN 12 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.43 2c57 h ASN 12 Cb 0.39 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.64 2c57 h ASN 12 CO -0.00 0.00 0.00 0.23 0.07 0.00 0.00 177.43 177.73 2c57 n MET 13 N -2.61 1.18 -1.99 4.14 2.81 0.13 -4.66 117.12 116.12 2c57 n MET 13 Ca 0.01 -0.27 -0.42 0.00 -1.81 0.00 0.00 57.70 55.21 2c57 n MET 13 Cb 0.27 -1.14 -0.03 0.00 -0.71 0.00 0.00 33.22 31.61 2c57 n MET 13 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2c57 s LEU 14 N -1.18 4.36 0.00 4.03 1.43 -1.22 -1.96 118.68 124.14 2c57 s LEU 14 Ca 0.13 2.43 0.00 0.00 -1.03 0.00 0.00 54.13 55.65 2c57 s LEU 14 Cb 0.06 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.72 2c57 s LEU 14 CO 0.09 -0.85 0.00 0.61 0.23 0.00 0.00 176.35 176.44 2c57 n GLY 15 N 3.90 0.68 0.13 -3.19 0.00 -1.21 -3.87 105.19 101.63 2c57 n GLY 15 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 2c57 n GLY 15 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2c57 n HIS 16 N -0.01 0.33 0.00 1.61 1.44 -0.83 -4.93 115.22 112.84 2c57 n HIS 16 Ca 0.00 0.10 0.00 0.00 -2.01 0.00 0.00 57.72 55.81 2c57 n HIS 16 Cb 0.00 -1.04 0.00 0.00 0.12 0.00 0.00 29.99 29.07 2c57 n HIS 16 CO 0.00 0.00 0.00 2.89 -2.81 0.00 0.00 176.34 176.42 2c57 n ARG 17 N -3.72 0.00 -0.40 -1.40 1.85 -1.00 -5.17 116.66 106.82 2c57 n ARG 17 Ca -0.45 0.63 -0.19 0.00 -1.00 0.00 0.00 57.85 56.85 2c57 n ARG 17 Cb 0.94 -1.45 0.18 0.00 -1.05 0.00 0.00 32.46 31.07 2c57 n ARG 17 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2c57 n GLY 23 N -0.97 -2.49 2.46 2.89 0.00 -1.26 -5.12 105.19 100.69 2c57 n GLY 23 Ca 0.00 -0.81 -0.26 0.00 0.00 0.00 0.00 46.02 44.95 2c57 n GLY 23 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2c57 n MET 24 N -2.52 2.54 -4.70 1.61 0.00 -1.26 -4.68 117.12 108.11 2c57 n MET 24 Ca 0.08 -1.61 -0.24 0.00 -0.00 0.00 0.00 57.70 55.93 2c57 n MET 24 Cb 0.37 -2.49 -0.16 0.00 0.00 0.00 0.00 33.22 30.93 2c57 n MET 24 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 2c57 s VAL 25 N 2.79 1.22 0.54 1.12 1.01 -1.26 -4.90 120.40 120.92 2c57 s VAL 25 Ca 0.50 -0.61 -0.06 0.00 0.00 0.00 0.00 61.98 61.81 2c57 s VAL 25 Cb 0.14 -1.05 -0.02 0.00 0.00 0.00 0.00 36.38 35.45 2c57 s VAL 25 CO -0.04 0.36 0.87 0.42 0.00 0.00 0.00 175.10 176.70 2c57 s THR 26 N 0.01 4.39 0.28 3.92 -4.23 -1.25 -3.29 115.64 115.46 2c57 s THR 26 Ca -0.02 0.22 -0.02 0.00 -1.18 0.00 0.00 61.69 60.69 2c57 s THR 26 Cb -0.10 -3.71 0.18 0.00 1.34 0.00 0.00 72.50 70.22 2c57 s THR 26 CO 0.01 -0.74 1.85 0.25 -0.54 0.00 0.00 174.62 175.45 2c57 h LEU 27 N -0.01 0.83 -0.71 4.79 5.85 -1.80 -2.27 115.31 121.99 2c57 h LEU 27 Ca -0.46 -0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.21 2c57 h LEU 27 Cb 1.22 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.98 2c57 h LEU 27 CO 0.61 0.76 0.39 0.44 -0.34 0.00 0.00 178.44 180.30 2c57 h ASP 28 N 0.89 0.56 -0.53 1.25 3.32 -1.94 -0.98 116.42 118.99 2c57 h ASP 28 Ca 0.21 0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.23 2c57 h ASP 28 Cb 0.20 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 2c57 h ASP 28 CO -0.02 0.35 0.09 1.56 -1.72 0.00 0.00 179.24 179.50 2c57 h GLN 29 N 0.69 0.92 -0.19 3.56 4.20 -1.90 0.85 115.11 123.25 2c57 h GLN 29 Ca 0.33 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.81 2c57 h GLN 29 Cb 0.25 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 2c57 h GLN 29 CO -0.21 0.85 0.11 0.82 -0.67 0.00 0.00 178.83 179.74 2c57 h ILE 30 N 0.87 1.09 -0.12 2.54 2.04 -0.64 0.47 117.51 123.75 2c57 h ILE 30 Ca 0.18 -0.22 0.01 0.00 1.00 0.00 0.00 64.86 65.83 2c57 h ILE 30 Cb 0.38 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 2c57 h ILE 30 CO 0.01 0.08 0.05 0.45 0.00 0.00 0.00 178.15 178.75 2c57 h HIS 31 N 0.23 0.10 0.00 1.37 3.86 -0.94 -2.05 115.15 117.71 2c57 h HIS 31 Ca 0.07 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.26 2c57 h HIS 31 Cb 0.04 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 2c57 h HIS 31 CO -0.05 0.06 -0.10 1.05 0.86 0.00 0.00 177.93 179.75 2c57 h GLU 32 N 0.12 0.00 0.01 2.45 4.11 -0.59 -0.97 114.58 119.72 2c57 h GLU 32 Ca 0.05 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.48 2c57 h GLU 32 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2c57 h GLU 32 CO -0.04 0.10 -0.01 0.82 0.07 0.00 0.00 179.01 179.95 2c57 h ILE 33 N 0.00 1.05 -0.14 -1.06 2.04 -0.24 -0.20 117.51 118.96 2c57 h ILE 33 Ca -0.00 -0.18 0.05 0.00 1.00 0.00 0.00 64.86 65.73 2c57 h ILE 33 Cb 0.25 1.17 -0.06 0.00 -0.74 0.00 0.00 36.82 37.44 2c57 h ILE 33 CO 0.01 0.05 -0.32 0.24 0.00 0.00 0.00 178.15 178.13 2c57 h MET 34 N -0.09 -0.38 -0.54 2.37 2.86 -0.68 0.53 114.93 119.00 2c57 h MET 34 Ca -0.00 0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.72 2c57 h MET 34 Cb 0.09 0.09 -0.08 0.00 0.06 0.00 0.00 31.60 31.76 2c57 h MET 34 CO 0.00 -0.25 -0.42 1.96 1.06 0.00 0.00 176.91 179.26 2c57 h GLN 35 N -0.39 -0.12 -0.98 1.72 7.50 -0.94 0.13 115.11 122.02 2c57 h GLN 35 Ca 0.10 0.01 0.29 0.00 0.50 0.00 0.00 58.65 59.55 2c57 h GLN 35 Cb 0.55 0.03 -0.14 0.00 0.05 0.00 0.00 27.48 27.96 2c57 h GLN 35 CO -0.36 -0.08 0.52 1.15 -1.50 0.00 0.00 178.83 178.56 2c57 h THR 36 N -0.13 0.35 -0.65 -0.54 2.02 0.85 1.63 112.91 116.44 2c57 h THR 36 Ca 0.09 -0.12 -0.08 0.00 0.77 0.00 0.00 66.41 67.06 2c57 h THR 36 Cb 0.36 -0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.70 2c57 h THR 36 CO -0.57 0.07 0.08 0.15 0.37 0.00 0.00 175.52 175.61 2c57 h PHE 37 N 0.36 1.17 0.09 3.16 3.57 0.12 -0.11 116.94 125.29 2c57 h PHE 37 Ca 0.69 -0.17 -0.00 0.00 3.53 0.00 0.00 57.97 62.01 2c57 h PHE 37 Cb 1.49 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.92 2c57 h PHE 37 CO -0.05 0.99 -0.04 0.28 -2.23 0.00 0.00 178.31 177.26 2c57 h VAL 38 N 1.02 0.94 -0.60 1.41 2.07 0.13 0.63 116.25 121.85 2c57 h VAL 38 Ca 0.20 -1.42 0.17 0.00 0.82 0.00 0.00 66.70 66.47 2c57 h VAL 38 Cb 0.47 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 2c57 h VAL 38 CO 0.02 0.28 0.49 0.11 0.02 0.00 0.00 177.57 178.49 2c57 h LYS 39 N -0.92 0.00 0.00 1.57 6.56 0.21 -1.40 116.57 122.59 2c57 h LYS 39 Ca -0.01 0.00 -0.16 0.00 -1.06 0.00 0.00 60.65 59.42 2c57 h LYS 39 Cb 0.55 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.18 2c57 h LYS 39 CO 0.02 0.00 -1.18 0.94 -2.06 0.00 0.00 179.45 177.17 2c57 n GLN 40 N -4.07 0.52 0.00 3.15 0.00 -0.06 -4.32 117.38 112.60 2c57 n GLN 40 Ca 0.12 0.45 0.00 0.00 -0.00 0.00 0.00 57.00 57.56 2c57 n GLN 40 Cb 0.73 -1.64 0.00 0.00 0.00 0.00 0.00 30.24 29.33 2c57 n GLN 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2c57 n GLY 41 N 1.47 0.00 2.26 1.69 0.00 0.22 -4.75 105.19 106.08 2c57 n GLY 41 Ca -0.25 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.66 2c57 n GLY 41 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2c57 n ASN 42 N -0.87 -3.43 -4.74 1.61 2.85 -0.59 -4.94 115.26 105.15 2c57 n ASN 42 Ca 0.00 0.24 -0.39 0.00 -0.11 0.00 0.00 54.58 54.32 2c57 n ASN 42 Cb 0.00 -3.03 -0.05 0.00 1.24 0.00 0.00 39.78 37.94 2c57 n ASN 42 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2c57 s LEU 43 N -4.90 4.38 -0.88 1.20 1.43 -1.19 -4.99 118.68 113.73 2c57 s LEU 43 Ca 0.00 1.25 -0.25 0.00 -1.03 0.00 0.00 54.13 54.10 2c57 s LEU 43 Cb 0.00 -3.07 -0.03 0.00 0.03 0.00 0.00 46.19 43.12 2c57 s LEU 43 CO 0.00 -0.02 1.85 -0.62 0.23 0.00 0.00 176.35 177.79 2c57 s ASP 44 N 0.28 5.39 -0.23 2.29 -1.08 -1.26 -4.83 116.67 117.23 2c57 s ASP 44 Ca 0.36 -0.68 -0.03 0.00 -0.52 0.00 0.00 52.55 51.68 2c57 s ASP 44 Cb -0.19 -2.56 0.10 0.00 -1.46 0.00 0.00 42.92 38.81 2c57 s ASP 44 CO 0.19 -2.49 0.20 -0.69 0.52 0.00 0.00 175.17 172.90 2c57 s VAL 45 N 9.08 -0.27 -0.04 1.11 1.01 -1.26 -3.77 120.40 126.26 2c57 s VAL 45 Ca 0.65 -0.28 -0.30 0.00 0.00 0.00 0.00 61.98 62.05 2c57 s VAL 45 Cb -0.06 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 2c57 s VAL 45 CO 0.01 -0.34 1.28 -1.61 0.00 0.00 0.00 175.10 174.44 2c57 s GLU 46 N 2.27 4.32 0.06 2.72 8.01 -0.99 -4.95 118.70 130.15 2c57 s GLU 46 Ca 0.07 1.79 0.04 0.00 0.01 0.00 0.00 54.97 56.88 2c57 s GLU 46 Cb -0.15 -3.58 -0.04 0.00 -4.31 0.00 0.00 34.13 26.05 2c57 s GLU 46 CO -0.19 -0.51 -0.02 -0.51 0.01 0.00 0.00 175.26 174.04 2c57 s LEU 47 N 2.36 3.40 -0.02 1.80 1.43 -1.26 -0.24 118.68 126.14 2c57 s LEU 47 Ca 0.59 -0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.57 2c57 s LEU 47 Cb -0.27 -2.08 -0.00 0.00 0.03 0.00 0.00 46.19 43.87 2c57 s LEU 47 CO 0.23 0.21 -0.12 -0.70 0.23 0.00 0.00 176.35 176.21 2c57 s GLU 48 N -2.03 1.11 -0.12 1.70 2.12 -0.74 -4.95 118.70 115.79 2c57 s GLU 48 Ca 0.23 -0.41 -0.03 0.00 0.36 0.00 0.00 54.97 55.11 2c57 s GLU 48 Cb -0.12 -1.04 -0.03 0.00 0.26 0.00 0.00 34.13 33.21 2c57 s GLU 48 CO 0.15 0.20 0.01 -0.06 -0.54 0.00 0.00 175.26 175.01 2c57 s PHE 49 N -0.03 3.15 -0.03 5.30 0.08 -1.26 -0.44 117.98 124.75 2c57 s PHE 49 Ca -0.00 0.05 -0.01 0.00 0.12 0.00 0.00 56.93 57.09 2c57 s PHE 49 Cb -0.08 -1.89 0.03 0.00 -0.57 0.00 0.00 43.02 40.52 2c57 s PHE 49 CO 0.00 0.28 0.06 0.12 -0.10 0.00 0.00 175.22 175.59 2c57 s PHE 50 N -0.32 -0.02 -0.01 0.36 5.36 0.12 -4.97 117.98 118.49 2c57 s PHE 50 Ca 0.07 0.24 0.07 0.00 -0.96 0.00 0.00 56.93 56.35 2c57 s PHE 50 Cb -0.12 -0.22 -0.02 0.00 -0.34 0.00 0.00 43.02 42.32 2c57 s PHE 50 CO 0.02 -0.12 -0.22 -1.14 -1.46 0.00 0.00 175.22 172.30 2c57 s GLN 51 N 1.24 1.75 0.04 10.12 -0.44 -1.26 -0.12 119.66 130.99 2c57 s GLN 51 Ca -0.07 -0.79 -0.16 0.00 -2.50 0.00 0.00 55.36 51.83 2c57 s GLN 51 Cb -0.13 -1.70 0.03 0.00 -1.64 0.00 0.00 33.01 29.57 2c57 s GLN 51 CO -0.04 0.47 0.37 -0.08 0.50 0.00 0.00 175.29 176.51 2c57 s THR 52 N -0.53 0.06 -1.02 -0.34 -1.32 -0.17 -4.97 115.64 107.36 2c57 s THR 52 Ca 0.08 -0.53 0.18 0.00 -1.21 0.00 0.00 61.69 60.21 2c57 s THR 52 Cb -0.08 -0.92 0.73 0.00 -1.51 0.00 0.00 72.50 70.71 2c57 s THR 52 CO -0.01 -0.29 1.64 0.59 -2.21 0.00 0.00 174.62 174.34 2c57 n ASN 53 N 0.60 4.85 -4.25 8.08 3.02 -1.26 -2.18 115.26 124.11 2c57 n ASN 53 Ca -0.19 -2.50 -0.35 0.00 -0.03 0.00 0.00 54.58 51.50 2c57 n ASN 53 Cb 0.59 -0.59 -0.14 0.00 -0.61 0.00 0.00 39.78 39.04 2c57 n ASN 53 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2c57 s PHE 54 N -1.95 3.10 0.22 3.10 0.40 -1.26 -4.81 117.98 116.78 2c57 s PHE 54 Ca 0.51 -1.34 -0.16 0.00 -0.60 0.00 0.00 56.93 55.34 2c57 s PHE 54 Cb 0.34 -2.13 0.24 0.00 0.51 0.00 0.00 43.02 41.98 2c57 s PHE 54 CO 0.24 -0.67 1.57 1.49 0.70 0.00 0.00 175.22 178.55 2c57 h GLU 55 N 8.09 -0.05 -0.64 0.44 4.81 -2.00 -0.59 114.58 124.63 2c57 h GLU 55 Ca -0.32 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 58.97 2c57 h GLU 55 Cb 1.11 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.47 2c57 h GLU 55 CO 0.58 -0.03 0.42 0.78 -0.73 0.00 0.00 179.01 180.03 2c57 h GLY 56 N -0.05 0.83 1.96 1.92 0.00 -1.99 -2.15 103.07 103.58 2c57 h GLY 56 Ca 0.33 -0.27 -0.14 0.00 0.00 0.00 0.00 47.33 47.25 2c57 h GLY 56 CO -0.86 0.21 -0.63 0.83 0.00 0.00 0.00 176.54 176.09 2c57 h GLU 57 N 0.68 0.04 -0.03 4.80 5.08 -1.53 0.25 114.58 123.87 2c57 h GLU 57 Ca 0.27 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 2c57 h GLU 57 Cb 0.21 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 2c57 h GLU 57 CO -0.08 0.66 0.01 0.82 -1.00 0.00 0.00 179.01 179.42 2c57 h ILE 58 N 0.03 1.00 0.02 3.13 2.04 -1.13 -0.23 117.51 122.37 2c57 h ILE 58 Ca -0.01 -0.01 0.02 0.00 1.00 0.00 0.00 64.86 65.86 2c57 h ILE 58 Cb 1.13 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 38.14 2c57 h ILE 58 CO 0.09 0.01 -0.14 0.40 0.00 0.00 0.00 178.15 178.50 2c57 h ILE 59 N 0.03 0.66 -0.76 -0.67 2.04 -0.72 0.15 117.51 118.26 2c57 h ILE 59 Ca 0.01 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.90 2c57 h ILE 59 Cb 0.00 0.66 -0.05 0.00 -0.74 0.00 0.00 36.82 36.70 2c57 h ILE 59 CO -0.01 0.00 0.48 0.44 0.00 0.00 0.00 178.15 179.06 2c57 h ASP 60 N -0.24 0.80 -0.61 1.72 5.19 -0.52 -1.34 116.42 121.42 2c57 h ASP 60 Ca 0.04 -0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.35 2c57 h ASP 60 Cb 0.29 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.60 2c57 h ASP 60 CO -0.12 0.55 0.01 0.50 -3.12 0.00 0.00 179.24 177.06 2c57 h LYS 61 N 0.94 1.07 -0.33 3.56 1.63 0.51 0.41 116.57 124.36 2c57 h LYS 61 Ca 0.30 -0.33 -0.02 0.00 -0.85 0.00 0.00 60.65 59.74 2c57 h LYS 61 Cb 0.00 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.52 2c57 h LYS 61 CO -0.11 1.04 0.11 0.82 -3.45 0.00 0.00 179.45 177.86 2c57 h ILE 62 N 0.97 1.20 -0.45 2.00 2.04 -0.19 -1.87 117.51 121.21 2c57 h ILE 62 Ca 0.17 -0.65 0.01 0.00 1.00 0.00 0.00 64.86 65.40 2c57 h ILE 62 Cb 0.55 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 2c57 h ILE 62 CO 0.03 0.22 0.30 1.56 0.00 0.00 0.00 178.15 180.26 2c57 h GLN 63 N 0.37 0.57 0.00 2.37 4.20 -1.01 -2.13 115.11 119.48 2c57 h GLN 63 Ca 0.11 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.74 2c57 h GLN 63 Cb 0.24 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 2c57 h GLN 63 CO -0.00 0.37 -0.22 0.93 -0.67 0.00 0.00 178.83 179.24 2c57 h GLU 64 N 0.58 0.00 -0.93 1.46 5.08 -0.29 -3.18 114.58 117.30 2c57 h GLU 64 Ca 0.17 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.54 2c57 h GLU 64 Cb -0.02 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.18 2c57 h GLU 64 CO -0.04 0.22 0.61 0.66 -1.00 0.00 0.00 179.01 179.45 2c57 h SER 65 N 0.00 1.08 0.00 1.42 4.64 -0.65 -3.17 113.55 116.87 2c57 h SER 65 Ca -0.00 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2c57 h SER 65 Cb 0.87 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 2c57 h SER 65 CO 0.03 0.79 0.50 0.52 -0.87 0.00 0.00 176.83 177.80 2c57 n VAL 66 N -4.42 0.21 -3.66 0.95 0.31 -1.20 -4.26 118.33 106.25 2c57 n VAL 66 Ca 0.11 0.57 -0.36 0.00 -0.01 0.00 0.00 64.34 64.64 2c57 n VAL 66 Cb 0.02 -1.57 -0.07 0.00 -0.91 0.00 0.00 33.84 31.31 2c57 n VAL 66 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2c57 s GLY 67 N -2.26 2.19 0.00 2.92 0.00 -1.20 -5.03 107.32 103.94 2c57 s GLY 67 Ca -0.00 -0.52 0.00 0.00 0.00 0.00 0.00 44.72 44.19 2c57 s GLY 67 CO 0.01 0.14 0.00 1.44 0.00 0.00 0.00 173.10 174.69 2c57 n SER 68 N 2.99 0.00 0.09 1.64 7.64 -1.26 -3.80 113.62 120.93 2c57 n SER 68 Ca -0.15 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.73 2c57 n SER 68 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 2c57 n SER 68 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2c57 n ASP 69 N 0.00 0.00 -4.64 6.43 3.85 -1.26 -4.39 116.55 116.53 2c57 n ASP 69 Ca 0.00 0.14 -0.39 0.00 -0.71 0.00 0.00 54.79 53.84 2c57 n ASP 69 Cb 0.00 0.00 -0.08 0.00 -1.35 0.00 0.00 41.12 39.69 2c57 n ASP 69 CO 0.00 0.00 0.00 -0.31 -1.01 0.00 0.00 177.20 175.88 2c57 s TYR 70 N -1.80 3.32 -0.21 2.11 1.51 -1.25 -3.70 117.35 117.33 2c57 s TYR 70 Ca 0.00 0.58 0.22 0.00 -1.01 0.00 0.00 57.07 56.86 2c57 s TYR 70 Cb 0.00 -2.58 -0.14 0.00 -0.11 0.00 0.00 41.96 39.13 2c57 s TYR 70 CO 0.00 -0.12 0.81 0.39 -1.11 0.00 0.00 175.55 175.52 2c57 n GLU 71 N 4.89 0.58 -3.56 -0.62 1.02 0.04 -4.94 120.64 118.05 2c57 n GLU 71 Ca -0.07 -0.03 -0.11 0.00 -0.02 0.00 0.00 57.16 56.93 2c57 n GLU 71 Cb 0.51 -1.67 -0.03 0.00 -0.02 0.00 0.00 31.44 30.23 2c57 n GLU 71 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2c57 s GLY 72 N -4.32 -0.40 -0.06 0.62 0.00 -1.26 -4.09 107.32 97.82 2c57 s GLY 72 Ca -0.03 0.15 0.03 0.00 0.00 0.00 0.00 44.72 44.87 2c57 s GLY 72 CO 0.84 -0.12 -0.15 -0.42 0.00 0.00 0.00 173.10 173.25 2c57 s ILE 73 N -3.79 1.30 -0.10 0.90 1.01 -0.21 -0.76 121.20 119.56 2c57 s ILE 73 Ca 0.03 -0.59 -0.00 0.00 0.00 0.00 0.00 60.65 60.08 2c57 s ILE 73 Cb 0.01 -1.16 -0.03 0.00 0.01 0.00 0.00 42.46 41.29 2c57 s ILE 73 CO -0.12 0.39 -0.08 -0.63 0.00 0.00 0.00 174.94 174.50 2c57 s ILE 74 N 0.47 3.60 -0.15 2.92 1.01 -0.29 -0.18 121.20 128.59 2c57 s ILE 74 Ca -0.12 -0.50 -0.07 0.00 0.00 0.00 0.00 60.65 59.96 2c57 s ILE 74 Cb -0.15 -2.50 0.06 0.00 0.01 0.00 0.00 42.46 39.88 2c57 s ILE 74 CO 0.04 0.56 0.34 -0.51 0.00 0.00 0.00 174.94 175.37 2c57 s ILE 75 N -0.37 -0.14 -0.77 2.92 2.07 0.44 -0.32 121.20 125.03 2c57 s ILE 75 Ca 0.05 0.14 -0.04 0.00 -1.41 0.00 0.00 60.65 59.40 2c57 s ILE 75 Cb -0.12 -0.52 0.19 0.00 0.13 0.00 0.00 42.46 42.14 2c57 s ILE 75 CO 0.02 0.06 0.63 0.21 -1.91 0.00 0.00 174.94 173.95 2c57 s ASN 76 N 1.60 5.73 0.00 4.50 3.84 0.39 -1.35 114.94 129.64 2c57 s ASN 76 Ca -0.07 -3.23 0.00 0.00 0.21 0.00 0.00 52.86 49.77 2c57 s ASN 76 Cb -0.10 -1.92 0.01 0.00 -0.55 0.00 0.00 41.25 38.70 2c57 s ASN 76 CO -0.11 -0.31 0.82 -2.65 -2.79 0.00 0.00 177.10 172.06 2c57 n PRO 77 N 3.02 0.00 0.00 0.43 -0.02 -1.26 -0.95 135.00 136.22 2c57 n PRO 77 Ca 0.15 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 2c57 n PRO 77 Cb 0.38 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.36 2c57 n PRO 77 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2c57 n GLY 78 N -1.28 1.58 0.67 -1.23 0.00 -1.26 -2.15 105.19 101.52 2c57 n GLY 78 Ca 0.00 -0.37 0.49 0.00 0.00 0.00 0.00 46.02 46.14 2c57 n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c57 h ALA 79 N -0.31 3.71 0.00 4.61 0.00 -1.91 0.77 119.26 126.13 2c57 h ALA 79 Ca 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2c57 h ALA 79 Cb 0.00 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2c57 h ALA 79 CO 0.00 -2.23 -0.13 0.74 0.00 0.00 0.00 179.25 177.63 2c57 h PHE 80 N 0.00 0.00 -0.98 0.00 0.04 -1.83 -2.92 116.94 111.25 2c57 h PHE 80 Ca 0.85 0.00 0.20 0.00 2.80 0.00 0.00 57.97 61.83 2c57 h PHE 80 Cb 3.45 0.00 -0.19 0.00 2.20 0.00 0.00 35.95 41.41 2c57 h PHE 80 CO 0.00 0.13 -0.21 0.43 -0.60 0.00 0.00 178.31 178.06 2c57 n SER 81 N -3.23 -0.32 0.13 2.17 7.64 0.27 -0.32 113.62 119.97 2c57 n SER 81 Ca 0.01 1.68 0.13 0.00 1.01 0.00 0.00 58.87 61.69 2c57 n SER 81 Cb 0.43 -0.52 0.28 0.00 -1.01 0.00 0.00 64.21 63.39 2c57 n SER 81 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 2c57 h HIS 82 N 0.00 0.00 0.00 1.43 3.86 -1.70 -1.03 115.15 117.71 2c57 h HIS 82 Ca 0.48 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.69 2c57 h HIS 82 Cb 0.78 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.25 2c57 h HIS 82 CO -0.72 0.00 -0.62 0.25 0.86 0.00 0.00 177.93 177.70 2c57 n THR 83 N -2.52 0.00 -2.61 2.45 -2.24 -0.90 -4.59 114.28 103.86 2c57 n THR 83 Ca 0.04 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.41 2c57 n THR 83 Cb 0.47 -0.38 -0.03 0.00 -2.10 0.00 0.00 70.33 68.29 2c57 n THR 83 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2c57 s SER 84 N -1.98 6.55 0.31 3.42 0.15 0.57 -4.80 113.70 117.91 2c57 s SER 84 Ca 0.00 -1.63 -0.00 0.00 0.70 0.00 0.00 55.95 55.01 2c57 s SER 84 Cb 0.00 -2.55 0.50 0.00 -1.71 0.00 0.00 66.02 62.26 2c57 s SER 84 CO 0.00 -1.41 1.95 0.40 1.20 0.00 0.00 173.24 175.38 2c57 h ILE 85 N 6.54 1.15 0.20 6.45 2.04 -1.94 -2.65 117.51 129.31 2c57 h ILE 85 Ca 0.22 -0.36 0.01 0.00 1.00 0.00 0.00 64.86 65.72 2c57 h ILE 85 Cb 1.00 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 2c57 h ILE 85 CO 1.39 0.19 -0.25 0.00 0.00 0.00 0.00 178.15 179.48 2c57 h ALA 86 N 1.50 -0.48 -0.10 1.87 0.00 -1.98 0.24 119.26 120.31 2c57 h ALA 86 Ca 0.33 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.20 2c57 h ALA 86 Cb -0.01 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2c57 h ALA 86 CO -0.09 -0.81 0.07 0.82 0.00 0.00 0.00 179.25 179.24 2c57 h ILE 87 N -0.51 0.93 -0.01 0.00 2.04 -1.87 0.17 117.51 118.26 2c57 h ILE 87 Ca 0.01 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.76 2c57 h ILE 87 Cb 0.49 0.95 0.01 0.00 -0.74 0.00 0.00 36.82 37.53 2c57 h ILE 87 CO -0.09 0.00 -0.41 0.00 0.00 0.00 0.00 178.15 177.66 2c57 h ALA 88 N 1.95 0.07 -1.01 1.87 0.00 -0.92 -0.02 119.26 121.20 2c57 h ALA 88 Ca 0.05 -0.51 0.24 0.00 0.00 0.00 0.00 54.91 54.69 2c57 h ALA 88 Cb 0.19 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.90 2c57 h ALA 88 CO -0.00 0.21 0.64 -0.44 0.00 0.00 0.00 179.25 179.67 2c57 h ASP 89 N -0.28 0.51 -0.02 0.00 5.19 -0.05 -1.14 116.42 120.64 2c57 h ASP 89 Ca -0.05 0.08 -0.01 0.00 -0.62 0.00 0.00 57.03 56.43 2c57 h ASP 89 Cb 1.13 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.63 2c57 h ASP 89 CO 0.08 0.13 -0.03 0.00 -3.12 0.00 0.00 179.24 176.30 2c57 h ALA 90 N 1.63 0.02 -0.39 3.45 0.00 -0.44 -2.53 119.26 121.00 2c57 h ALA 90 Ca 0.58 -0.30 0.11 0.00 0.00 0.00 0.00 54.91 55.29 2c57 h ALA 90 Cb 1.33 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 2c57 h ALA 90 CO -0.30 -0.16 0.31 0.82 0.00 0.00 0.00 179.25 179.91 2c57 h ILE 91 N -0.51 0.70 0.00 0.00 2.04 -0.44 0.11 117.51 119.41 2c57 h ILE 91 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2c57 h ILE 91 Cb 0.62 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 2c57 h ILE 91 CO 0.01 0.00 0.00 0.24 0.00 0.00 0.00 178.15 178.40 2c57 h MET 92 N 0.00 0.00 -0.30 2.37 2.86 -0.79 -2.75 114.93 116.32 2c57 h MET 92 Ca 0.19 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 2c57 h MET 92 Cb 0.80 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.46 2c57 h MET 92 CO -0.00 0.00 0.00 1.28 1.06 0.00 0.00 176.91 179.25 2c57 n LEU 93 N -2.74 3.30 0.30 1.22 4.77 0.00 -4.36 117.00 119.49 2c57 n LEU 93 Ca 0.04 -1.35 0.15 0.00 -0.03 0.00 0.00 56.01 54.82 2c57 n LEU 93 Cb 0.47 -0.19 0.93 0.00 -2.33 0.00 0.00 43.42 42.30 2c57 n LEU 93 CO 0.32 0.68 1.13 0.00 -1.33 0.00 0.00 177.39 178.18 2c57 h ALA 94 N 4.55 1.50 -6.54 -1.18 0.00 -1.21 -3.46 119.26 112.92 2c57 h ALA 94 Ca 0.00 -0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 2c57 h ALA 94 Cb 0.97 -0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.79 2c57 h ALA 94 CO 0.00 0.00 -0.96 0.41 0.00 0.00 0.00 179.25 178.70 2c57 n GLY 95 N -1.30 -0.82 0.00 0.00 0.00 -1.26 -4.76 105.19 97.05 2c57 n GLY 95 Ca -0.03 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.36 2c57 n GLY 95 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2c57 n LYS 96 N -4.53 0.00 -1.68 1.61 2.85 -1.26 -5.12 118.16 110.03 2c57 n LYS 96 Ca -0.13 0.00 -0.51 0.00 -1.05 0.00 0.00 58.31 56.62 2c57 n LYS 96 Cb 0.60 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.92 2c57 n LYS 96 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 2c57 n PRO 97 N -0.46 1.72 -4.66 -1.58 -0.02 -1.26 -4.83 135.00 123.91 2c57 n PRO 97 Ca 0.00 0.63 -0.33 0.00 -2.02 0.00 0.00 63.50 61.78 2c57 n PRO 97 Cb 0.00 -2.38 -0.14 0.00 -0.02 0.00 0.00 33.50 30.95 2c57 n PRO 97 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2c57 s VAL 98 N 2.96 3.05 -0.16 -1.45 1.01 -1.26 -1.04 120.40 123.51 2c57 s VAL 98 Ca 0.91 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 62.25 2c57 s VAL 98 Cb -0.84 -2.29 0.00 0.00 0.00 0.00 0.00 36.38 33.25 2c57 s VAL 98 CO 0.53 0.51 -0.17 -0.63 0.00 0.00 0.00 175.10 175.35 2c57 s ILE 99 N 0.50 2.46 0.04 2.22 1.01 0.75 -2.78 121.20 125.39 2c57 s ILE 99 Ca -0.09 -0.84 -0.23 0.00 0.00 0.00 0.00 60.65 59.49 2c57 s ILE 99 Cb -0.16 -2.03 -0.06 0.00 0.01 0.00 0.00 42.46 40.23 2c57 s ILE 99 CO 0.04 0.52 0.71 -0.70 0.00 0.00 0.00 174.94 175.51 2c57 s GLU 100 N 0.92 4.44 -0.03 2.79 2.12 -0.91 -0.42 118.70 127.61 2c57 s GLU 100 Ca -0.04 0.96 0.07 0.00 0.36 0.00 0.00 54.97 56.33 2c57 s GLU 100 Cb -0.15 -3.35 -0.02 0.00 0.26 0.00 0.00 34.13 30.88 2c57 s GLU 100 CO -0.03 0.34 -0.25 0.08 -0.54 0.00 0.00 175.26 174.86 2c57 s VAL 101 N -0.21 2.11 -0.04 3.70 1.01 -0.46 -1.41 120.40 125.10 2c57 s VAL 101 Ca 0.36 -1.08 0.03 0.00 0.00 0.00 0.00 61.98 61.29 2c57 s VAL 101 Cb -0.20 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.45 2c57 s VAL 101 CO 0.21 0.58 -0.13 -1.00 0.00 0.00 0.00 175.10 174.76 2c57 s HIS 102 N -0.52 1.36 0.03 5.22 3.76 -0.16 -4.26 115.29 120.72 2c57 s HIS 102 Ca 0.07 -0.40 -0.28 0.00 -0.15 0.00 0.00 55.06 54.31 2c57 s HIS 102 Cb -0.11 -0.95 -0.17 0.00 1.11 0.00 0.00 32.58 32.46 2c57 s HIS 102 CO 0.00 -0.16 1.31 -0.07 -0.85 0.00 0.00 174.74 174.97 2c57 h LEU 103 N 6.44 -0.59-10.65 0.89 3.38 -1.89 -1.66 115.31 111.25 2c57 h LEU 103 Ca -0.33 -0.06 -0.46 0.00 0.09 0.00 0.00 57.88 57.13 2c57 h LEU 103 Cb 1.17 0.15 0.10 0.00 0.09 0.00 0.00 40.66 42.18 2c57 h LEU 103 CO 0.48 -0.27 0.32 0.42 0.09 0.00 0.00 178.44 179.48 2c57 s THR 104 N -5.06 2.12 -0.73 0.22 -4.23 -1.26 -1.45 115.64 105.26 2c57 s THR 104 Ca -0.15 -0.16 -0.16 0.00 -1.18 0.00 0.00 61.69 60.05 2c57 s THR 104 Cb 0.02 -2.97 0.17 0.00 1.34 0.00 0.00 72.50 71.06 2c57 s THR 104 CO 0.53 0.00 0.73 0.21 -0.54 0.00 0.00 174.62 175.55 2c57 s ASN 105 N -4.62 6.51 0.04 3.99 3.84 -1.26 -1.67 114.94 121.77 2c57 s ASN 105 Ca 0.64 -2.19 0.11 0.00 0.21 0.00 0.00 52.86 51.63 2c57 s ASN 105 Cb -0.09 -2.25 0.49 0.00 -0.55 0.00 0.00 41.25 38.86 2c57 s ASN 105 CO 0.48 -0.79 1.36 2.30 -2.79 0.00 0.00 177.10 177.65 2c57 n ILE 106 N 4.72 1.30 0.05 -5.21 -5.35 -1.26 0.10 119.36 113.70 2c57 n ILE 106 Ca 0.04 0.35 0.02 0.00 -0.27 0.00 0.00 62.75 62.90 2c57 n ILE 106 Cb 0.45 -1.21 0.39 0.00 -1.74 0.00 0.00 39.64 37.52 2c57 n ILE 106 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 2c57 h GLN 107 N 0.00 0.42 -0.58 6.28 1.08 -1.84 -3.29 115.11 117.18 2c57 h GLN 107 Ca 0.00 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 2c57 h GLN 107 Cb 0.17 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 2c57 h GLN 107 CO 0.00 0.40 0.00 0.00 -0.95 0.00 0.00 178.83 178.28 2c57 n ALA 108 N -2.48 2.41 -2.71 3.87 0.00 0.11 -4.88 120.51 116.83 2c57 n ALA 108 Ca 0.01 -1.04 0.00 0.00 0.00 0.00 0.00 53.44 52.41 2c57 n ALA 108 Cb 0.18 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.68 2c57 n ALA 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2c57 n ARG 109 N 1.27 2.31 -1.96 0.00 1.74 -1.25 -5.04 116.66 113.72 2c57 n ARG 109 Ca 0.20 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.95 2c57 n ARG 109 Cb 0.51 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.97 2c57 n ARG 109 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2c57 s GLU 110 N 4.77 3.17 0.18 5.56 8.01 -1.26 -4.95 118.70 134.18 2c57 s GLU 110 Ca 0.00 1.26 -0.27 0.00 0.01 0.00 0.00 54.97 55.97 2c57 s GLU 110 Cb 0.00 -2.01 0.02 0.00 -4.31 0.00 0.00 34.13 27.83 2c57 s GLU 110 CO 0.00 -0.93 1.55 1.49 0.01 0.00 0.00 175.26 177.37 2c57 h GLU 111 N 0.32 -0.04 0.00 1.61 4.57 -1.94 -0.03 114.58 119.07 2c57 h GLU 111 Ca -0.47 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 2c57 h GLU 111 Cb 1.23 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 2c57 h GLU 111 CO 0.56 -0.03 0.20 0.27 -1.18 0.00 0.00 179.01 178.84 2c57 h PHE 112 N -0.04 0.00 -0.01 0.92 -5.15 -1.97 0.11 116.94 110.81 2c57 h PHE 112 Ca 0.21 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.98 2c57 h PHE 112 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.65 2c57 h PHE 112 CO -0.94 0.00 -0.41 0.54 -2.00 0.00 0.00 178.31 175.50 2c57 n ARG 113 N -2.52 0.64 0.00 6.09 1.74 -0.03 -4.70 116.66 117.88 2c57 n ARG 113 Ca -0.02 -0.42 0.00 0.00 -0.77 0.00 0.00 57.85 56.64 2c57 n ARG 113 Cb 0.24 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 2c57 n ARG 113 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2c57 n LYS 114 N -0.82 0.00 -1.60 5.56 5.02 0.40 -4.63 118.16 122.09 2c57 n LYS 114 Ca 0.10 0.40 -0.38 0.00 -2.02 0.00 0.00 58.31 56.40 2c57 n LYS 114 Cb 0.36 -1.38 0.04 0.00 -0.02 0.00 0.00 35.03 34.03 2c57 n LYS 114 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2c57 n ASN 115 N -1.68 0.67 -3.88 4.39 5.15 -1.26 -4.64 115.26 114.01 2c57 n ASN 115 Ca 0.00 0.84 -0.29 0.00 -0.60 0.00 0.00 54.58 54.53 2c57 n ASN 115 Cb 0.00 -1.36 -0.16 0.00 -0.53 0.00 0.00 39.78 37.73 2c57 n ASN 115 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2c57 s SER 116 N -1.14 3.09 0.12 1.20 0.15 -1.26 -4.34 113.70 111.52 2c57 s SER 116 Ca 0.73 -0.81 -0.20 0.00 0.70 0.00 0.00 55.95 56.36 2c57 s SER 116 Cb -0.44 -0.94 -0.06 0.00 -1.71 0.00 0.00 66.02 62.87 2c57 s SER 116 CO 0.50 -0.21 1.73 1.88 1.20 0.00 0.00 173.24 178.33 2c57 h TYR 117 N 8.09 -0.00 -0.12 3.44 0.05 -1.43 -2.77 116.97 124.23 2c57 h TYR 117 Ca -0.22 0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.55 2c57 h TYR 117 Cb 1.10 0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.86 2c57 h TYR 117 CO 0.44 -0.02 -0.06 1.79 -1.05 0.00 0.00 178.16 179.27 2c57 h THR 118 N 0.06 1.12 -0.23 -2.88 1.35 -1.80 -2.75 112.91 107.78 2c57 h THR 118 Ca 0.07 -0.49 -0.14 0.00 -0.55 0.00 0.00 66.41 65.31 2c57 h THR 118 Cb 0.09 1.10 -0.00 0.00 -1.73 0.00 0.00 68.15 67.60 2c57 h THR 118 CO -0.12 0.16 -0.39 1.23 -0.25 0.00 0.00 175.52 176.15 2c57 h GLY 119 N 0.51 0.72 0.82 5.82 0.00 -1.78 -1.87 103.07 107.29 2c57 h GLY 119 Ca 0.04 -0.83 0.15 0.00 0.00 0.00 0.00 47.33 46.69 2c57 h GLY 119 CO 0.01 0.74 0.45 0.00 0.00 0.00 0.00 176.54 177.74 2c57 h ALA 120 N 0.63 2.28 0.09 3.60 0.00 -1.24 -2.39 119.26 122.24 2c57 h ALA 120 Ca 0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2c57 h ALA 120 Cb 0.98 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2c57 h ALA 120 CO 0.09 -0.46 -0.04 0.00 0.00 0.00 0.00 179.25 178.84 2c57 h ALA 121 N 1.69 -0.12 -2.76 0.00 0.00 -1.31 -3.44 119.26 113.32 2c57 h ALA 121 Ca 0.31 -0.27 -0.57 0.00 0.00 0.00 0.00 54.91 54.38 2c57 h ALA 121 Cb 0.90 0.05 0.15 0.00 0.00 0.00 0.00 17.79 18.89 2c57 h ALA 121 CO -0.06 -0.22 0.19 0.00 0.00 0.00 0.00 179.25 179.16 2c57 h GLY 123 N 0.86 0.00 -4.23 0.00 0.00 -1.75 -3.46 103.07 94.49 2c57 h GLY 123 Ca -0.48 0.00 0.15 0.00 0.00 0.00 0.00 47.33 47.00 2c57 h GLY 123 CO 0.53 0.00 0.67 -0.32 0.00 0.00 0.00 176.54 177.42 2c57 s GLY 124 N -4.04 -0.24 -0.04 4.60 0.00 -1.26 -5.10 107.32 101.25 2c57 s GLY 124 Ca -0.05 1.94 0.02 0.00 0.00 0.00 0.00 44.72 46.62 2c57 s GLY 124 CO 0.63 0.84 -0.07 0.14 0.00 0.00 0.00 173.10 174.64 2c57 s VAL 125 N -1.66 0.69 -0.12 1.40 1.01 -1.26 -2.15 120.40 118.31 2c57 s VAL 125 Ca 0.03 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.76 2c57 s VAL 125 Cb -0.01 -0.66 -0.02 0.00 0.00 0.00 0.00 36.38 35.70 2c57 s VAL 125 CO -0.03 0.24 -0.12 -0.63 0.00 0.00 0.00 175.10 174.56 2c57 s ILE 126 N 0.56 3.15 -0.13 2.22 1.01 -0.50 -5.01 121.20 122.50 2c57 s ILE 126 Ca -0.09 -0.64 -0.12 0.00 0.00 0.00 0.00 60.65 59.81 2c57 s ILE 126 Cb -0.12 -2.31 0.04 0.00 0.01 0.00 0.00 42.46 40.07 2c57 s ILE 126 CO 0.01 0.53 0.35 0.00 0.00 0.00 0.00 174.94 175.83 2c57 s MET 127 N 0.16 0.40 0.00 2.79 0.23 -1.26 -0.99 119.30 120.63 2c57 s MET 127 Ca -0.07 0.51 0.00 0.00 -1.03 0.00 0.00 55.69 55.11 2c57 s MET 127 Cb -0.15 0.17 0.00 0.00 -1.53 0.00 0.00 34.83 33.32 2c57 s MET 127 CO 0.05 -0.06 0.00 0.41 -2.03 0.00 0.00 175.02 173.38 2c57 n GLY 128 N 3.06 0.92 0.95 3.16 0.00 -0.62 -4.66 105.19 108.00 2c57 n GLY 128 Ca -0.14 -0.16 0.09 0.00 0.00 0.00 0.00 46.02 45.81 2c57 n GLY 128 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2c57 n PHE 129 N -2.13 0.59 -2.25 1.61 3.01 -0.73 -4.73 117.46 112.82 2c57 n PHE 129 Ca 0.00 -0.40 0.00 0.00 1.01 0.00 0.00 57.45 58.06 2c57 n PHE 129 Cb 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.46 2c57 n PHE 129 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2c57 n GLY 130 N 1.09 1.22 0.28 1.37 0.00 -0.53 -3.47 105.19 105.14 2c57 n GLY 130 Ca 0.17 -0.52 -0.05 0.00 0.00 0.00 0.00 46.02 45.62 2c57 n GLY 130 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2c57 h PRO 131 N 0.00 0.75 -0.75 1.61 0.11 -1.93 -2.44 132.00 129.34 2c57 h PRO 131 Ca 0.00 -0.23 0.30 0.00 0.11 0.00 0.00 66.00 66.18 2c57 h PRO 131 Cb 0.00 -0.07 -0.12 0.00 0.11 0.00 0.00 31.00 30.92 2c57 h PRO 131 CO 0.00 0.80 0.43 -0.11 -0.21 0.00 0.00 178.00 178.92 2c57 n LEU 132 N -4.19 0.22 0.22 2.35 7.94 -1.23 0.36 117.00 122.68 2c57 n LEU 132 Ca 0.02 1.10 0.12 0.00 -1.11 0.00 0.00 56.01 56.14 2c57 n LEU 132 Cb 0.34 -0.54 0.73 0.00 0.53 0.00 0.00 43.42 44.47 2c57 n LEU 132 CO 0.42 -1.23 1.11 1.23 -1.11 0.00 0.00 177.39 177.81 2c57 h GLY 133 N 0.00 0.00 0.65 -3.96 0.00 -1.58 0.88 103.07 99.06 2c57 h GLY 133 Ca 0.59 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.92 2c57 h GLY 133 CO -0.48 0.00 -0.01 -0.97 0.00 0.00 0.00 176.54 175.08 2c57 h TYR 134 N 0.00 0.06 -0.51 5.60 -1.99 -0.30 0.14 116.97 119.96 2c57 h TYR 134 Ca 0.05 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.77 2c57 h TYR 134 Cb 0.21 -0.01 -0.03 0.00 2.00 0.00 0.00 36.73 38.90 2c57 h TYR 134 CO 0.00 0.41 0.33 -0.91 -0.00 0.00 0.00 178.16 178.00 2c57 h ASN 135 N -0.31 0.59 -0.96 3.88 2.35 -1.34 0.98 115.58 120.78 2c57 h ASN 135 Ca 0.01 -0.02 0.23 0.00 -0.55 0.00 0.00 56.30 55.96 2c57 h ASN 135 Cb 0.40 -0.15 -0.12 0.00 0.05 0.00 0.00 38.32 38.50 2c57 h ASN 135 CO 0.00 0.44 0.52 0.24 -1.65 0.00 0.00 177.43 176.98 2c57 h MET 136 N 0.69 0.51 -0.05 0.81 2.86 -0.78 0.11 114.93 119.07 2c57 h MET 136 Ca 0.19 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.79 2c57 h MET 136 Cb -0.07 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.47 2c57 h MET 136 CO -0.04 0.34 0.01 0.00 1.06 0.00 0.00 176.91 178.27 2c57 h ALA 137 N 1.71 0.07 -0.71 6.32 0.00 0.17 -1.96 119.26 124.86 2c57 h ALA 137 Ca 0.60 -0.15 0.16 0.00 0.00 0.00 0.00 54.91 55.52 2c57 h ALA 137 Cb 1.13 -0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.78 2c57 h ALA 137 CO -0.49 -0.28 0.04 -0.07 0.00 0.00 0.00 179.25 178.45 2c57 h LEU 138 N -0.17 -0.26 -0.83 0.00 3.38 -0.55 0.81 115.31 117.69 2c57 h LEU 138 Ca 0.02 0.17 0.12 0.00 0.09 0.00 0.00 57.88 58.28 2c57 h LEU 138 Cb 0.29 0.29 -0.08 0.00 0.09 0.00 0.00 40.66 41.25 2c57 h LEU 138 CO 0.00 -0.13 0.46 -0.03 0.09 0.00 0.00 178.44 178.83 2c57 h MET 139 N 0.14 0.70 0.12 1.13 4.05 -0.43 -1.74 114.93 118.89 2c57 h MET 139 Ca 0.39 -0.04 -0.24 0.00 -0.28 0.00 0.00 59.70 59.52 2c57 h MET 139 Cb 0.67 -0.16 0.03 0.00 -0.80 0.00 0.00 31.60 31.34 2c57 h MET 139 CO -0.60 0.47 -1.03 0.00 0.23 0.00 0.00 176.91 175.98 2c57 h ALA 140 N 1.50 -0.03 -0.08 0.39 0.00 -0.32 -3.06 119.26 117.65 2c57 h ALA 140 Ca 0.42 -0.72 0.02 0.00 0.00 0.00 0.00 54.91 54.64 2c57 h ALA 140 Cb 0.48 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 2c57 h ALA 140 CO -0.29 0.54 -0.07 1.98 0.00 0.00 0.00 179.25 181.41 2c57 h MET 141 N 0.01 -0.07 -0.85 0.00 -1.53 -0.33 -0.06 114.93 112.10 2c57 h MET 141 Ca -0.16 0.01 0.16 0.00 -3.44 0.00 0.00 59.70 56.26 2c57 h MET 141 Cb 1.75 0.02 -0.16 0.00 -0.55 0.00 0.00 31.60 32.66 2c57 h MET 141 CO 0.20 -0.05 -0.27 0.28 0.14 0.00 0.00 176.91 177.21 2c57 h VAL 142 N -0.08 0.11 -0.46 -5.77 2.07 -1.44 -0.56 116.25 110.12 2c57 h VAL 142 Ca 0.06 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.54 2c57 h VAL 142 Cb 0.16 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 2c57 h VAL 142 CO -0.13 0.00 0.15 0.78 0.02 0.00 0.00 177.57 178.39 2c57 h ASN 143 N -0.03 0.67 -0.23 0.57 2.35 -0.94 -1.79 115.58 116.19 2c57 h ASN 143 Ca 0.37 -0.20 -0.11 0.00 -0.55 0.00 0.00 56.30 55.82 2c57 h ASN 143 Cb 0.62 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.81 2c57 h ASN 143 CO -0.88 0.69 -0.27 0.40 -1.65 0.00 0.00 177.43 175.72 2c57 h ILE 144 N 0.61 1.32 -0.90 2.81 2.04 -0.55 -1.77 117.51 121.07 2c57 h ILE 144 Ca 0.15 -1.45 -0.01 0.00 1.00 0.00 0.00 64.86 64.55 2c57 h ILE 144 Cb 0.26 1.73 -0.04 0.00 -0.74 0.00 0.00 36.82 38.02 2c57 h ILE 144 CO -0.01 0.45 0.52 -0.07 0.00 0.00 0.00 178.15 179.04 2c57 h LEU 145 N 0.28 1.10 -0.71 1.44 3.38 -1.15 0.42 115.31 120.07 2c57 h LEU 145 Ca 0.03 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.93 2c57 h LEU 145 Cb 0.83 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 2c57 h LEU 145 CO 0.06 0.86 0.47 0.00 0.09 0.00 0.00 178.44 179.92 2c57 h ALA 146 N 1.28 0.90 0.01 1.53 0.00 -1.18 -1.74 119.26 120.06 2c57 h ALA 146 Ca 0.32 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 2c57 h ALA 146 Cb -0.01 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.50 2c57 h ALA 146 CO -0.06 0.31 -0.23 1.49 0.00 0.00 0.00 179.25 180.77 2c57 h GLU 147 N 0.95 0.13 -0.55 0.00 4.81 -0.26 -2.49 114.58 117.18 2c57 h GLU 147 Ca 0.26 -0.16 0.10 0.00 -0.13 0.00 0.00 59.36 59.43 2c57 h GLU 147 Cb -0.10 0.05 -0.11 0.00 0.63 0.00 0.00 28.75 29.22 2c57 h GLU 147 CO -0.06 0.95 -0.35 0.52 -0.73 0.00 0.00 179.01 179.33 2c57 h MET 148 N -0.61 -0.19 -0.72 1.92 2.86 -0.29 -2.11 114.93 115.80 2c57 h MET 148 Ca -0.03 0.01 0.11 0.00 -2.06 0.00 0.00 59.70 57.73 2c57 h MET 148 Cb 1.04 0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.69 2c57 h MET 148 CO 0.04 -0.13 0.48 0.87 1.06 0.00 0.00 176.91 179.24 2c57 h LYS 149 N -0.19 0.52 -0.43 1.72 1.57 -1.29 -1.22 116.57 117.25 2c57 h LYS 149 Ca 0.21 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.86 2c57 h LYS 149 Cb 0.55 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 2c57 h LYS 149 CO -0.65 0.34 -0.11 0.00 -0.57 0.00 0.00 179.45 178.46 2c57 h ALA 150 N 1.65 0.59 -0.09 3.86 0.00 -0.95 -3.28 119.26 121.03 2c57 h ALA 150 Ca 0.34 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2c57 h ALA 150 Cb 0.59 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2c57 h ALA 150 CO -0.12 0.48 -0.12 0.35 0.00 0.00 0.00 179.25 179.85 2c57 h PHE 151 N 0.66 0.29 0.00 0.00 -0.00 -0.62 0.40 116.94 117.67 2c57 h PHE 151 Ca 0.11 -0.09 0.00 0.00 -0.00 0.00 0.00 57.97 57.98 2c57 h PHE 151 Cb 0.64 -0.06 0.00 0.00 -0.00 0.00 0.00 35.95 36.53 2c57 h PHE 151 CO 0.05 0.70 0.00 1.96 -0.00 0.00 0.00 178.31 181.02 2c57 h GLN 152 N -0.20 0.00 0.00 1.11 4.20 -1.41 0.54 115.11 119.36 2c57 h GLN 152 Ca 0.01 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.38 2c57 h GLN 152 Cb 0.66 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.38 2c57 h GLN 152 CO 0.03 0.00 -2.25 0.39 -0.67 0.00 0.00 178.83 176.32 2c57 n GLU 153 N -2.46 0.68 0.13 1.46 1.02 -1.17 -2.53 120.64 117.77 2c57 n GLU 153 Ca -0.01 0.04 -0.13 0.00 -0.02 0.00 0.00 57.16 57.03 2c57 n GLU 153 Cb 0.09 -1.57 -0.07 0.00 -0.02 0.00 0.00 31.44 29.88 2c57 n GLU 153 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2c57 h ALA 154 N 1.04 -0.31 0.10 0.62 0.00 0.57 -3.24 119.26 118.04 2c57 h ALA 154 Ca -0.48 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 2c57 h ALA 154 Cb 2.16 0.21 0.00 0.00 0.00 0.00 0.00 17.79 20.16 2c57 h ALA 154 CO 0.04 -0.69 -0.05 1.96 0.00 0.00 0.00 179.25 180.50 2c57 h GLN 155 N -0.34 -0.13 0.00 0.00 4.20 -1.14 -3.30 115.11 114.40 2c57 h GLN 155 Ca -0.00 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2c57 h GLN 155 Cb 0.31 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.12 2c57 h GLN 155 CO -0.02 -0.09 0.00 0.36 -0.67 0.00 0.00 178.83 178.41 2c57 n LYS 156 N -4.76 0.00 -0.07 1.46 2.85 -1.05 0.29 118.16 116.88 2c57 n LYS 156 Ca -0.02 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.15 2c57 n LYS 156 Cb 0.05 -1.29 -0.15 0.00 -0.65 0.00 0.00 35.03 32.99 2c57 n LYS 156 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2c57 n ASN 157 N -0.67 0.26 0.00 -5.58 4.13 -1.22 -5.01 115.26 107.17 2c57 n ASN 157 Ca 0.00 0.12 0.00 0.00 1.68 0.00 0.00 54.58 56.38 2c57 n ASN 157 Cb 0.00 0.71 0.00 0.00 -1.54 0.00 0.00 39.78 38.95 2c57 n ASN 157 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34