#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 4.19 -0.06 2.12 3.01 -1.24 -2.23 119.74 125.53 2c57 s LYS 2 Ca 0.00 -0.02 0.06 0.00 -1.01 0.00 0.00 55.97 54.99 2c57 s LYS 2 Cb 0.00 -3.47 -0.01 0.00 -1.01 0.00 0.00 37.83 33.34 2c57 s LYS 2 CO 0.00 0.17 -0.24 0.42 0.51 0.00 0.00 175.35 176.21 2c57 s ILE 3 N 0.71 2.14 -0.18 2.17 -1.09 0.38 -1.09 121.20 124.24 2c57 s ILE 3 Ca 0.13 -1.03 -0.12 0.00 -2.23 0.00 0.00 60.65 57.41 2c57 s ILE 3 Cb -0.13 -1.79 -0.05 0.00 -1.58 0.00 0.00 42.46 38.92 2c57 s ILE 3 CO 0.03 0.57 0.21 -0.22 -1.23 0.00 0.00 174.94 174.30 2c57 s LEU 4 N -0.12 4.23 -0.27 2.97 2.96 0.02 -1.52 118.68 126.95 2c57 s LEU 4 Ca -0.05 0.36 -0.05 0.00 -0.22 0.00 0.00 54.13 54.18 2c57 s LEU 4 Cb -0.14 -2.22 0.00 0.00 0.50 0.00 0.00 46.19 44.33 2c57 s LEU 4 CO 0.04 0.14 0.03 -0.69 -1.32 0.00 0.00 176.35 174.55 2c57 s VAL 5 N 0.39 3.68 -0.30 1.68 1.01 0.22 0.06 120.40 127.14 2c57 s VAL 5 Ca 0.12 -0.66 -0.05 0.00 0.00 0.00 0.00 61.98 61.39 2c57 s VAL 5 Cb -0.12 -2.83 0.03 0.00 0.00 0.00 0.00 36.38 33.46 2c57 s VAL 5 CO 0.01 0.20 0.05 -0.63 0.00 0.00 0.00 175.10 174.73 2c57 s ILE 6 N 1.48 3.56 -0.21 2.22 1.01 0.19 -1.56 121.20 127.89 2c57 s ILE 6 Ca 0.03 -1.02 -0.09 0.00 0.00 0.00 0.00 60.65 59.57 2c57 s ILE 6 Cb -0.16 -2.93 -0.05 0.00 0.01 0.00 0.00 42.46 39.33 2c57 s ILE 6 CO 0.00 -0.02 0.12 -1.10 0.00 0.00 0.00 174.94 173.94 2c57 s GLN 7 N 1.40 4.09 0.00 2.79 -1.52 0.12 -0.89 119.66 125.65 2c57 s GLN 7 Ca -0.01 -0.27 0.00 0.00 -1.95 0.00 0.00 55.36 53.13 2c57 s GLN 7 Cb -0.18 -3.39 0.00 0.00 -0.22 0.00 0.00 33.01 29.22 2c57 s GLN 7 CO 0.01 0.22 0.00 0.41 -0.25 0.00 0.00 175.29 175.68 2c57 n GLY 8 N 3.75 0.27 3.73 3.09 0.00 -0.12 -1.06 105.19 114.85 2c57 n GLY 8 Ca -0.16 -1.80 -0.36 0.00 0.00 0.00 0.00 46.02 43.70 2c57 n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2c57 s PRO 9 N 0.54 2.47 0.00 1.61 0.04 -0.58 -2.50 135.00 136.59 2c57 s PRO 9 Ca 0.00 1.89 0.00 0.00 0.04 0.00 0.00 61.00 62.93 2c57 s PRO 9 Cb 0.00 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.68 2c57 s PRO 9 CO 0.00 -1.61 0.00 0.09 0.04 0.00 0.00 177.00 175.52 2c57 n ASN 10 N -2.16 0.00 -0.24 6.66 3.02 -1.26 -4.61 115.26 116.66 2c57 n ASN 10 Ca 0.14 0.00 0.30 0.00 -0.03 0.00 0.00 54.58 54.99 2c57 n ASN 10 Cb 0.49 -0.24 0.70 0.00 -0.61 0.00 0.00 39.78 40.13 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 0.06 -1.80 3.41 3.38 -1.83 1.15 115.31 119.68 2c57 h LEU 11 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 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 0.02 0.00 -0.55 0.09 0.00 0.00 178.44 178.00 2c57 h ASN 12 N 0.06 0.00 -0.06 -0.43 -1.07 -1.86 -3.09 115.58 109.13 2c57 h ASN 12 Ca 0.49 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.86 2c57 h ASN 12 Cb 1.85 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 38.10 2c57 h ASN 12 CO -0.04 0.00 0.00 0.23 0.07 0.00 0.00 177.43 177.69 2c57 n MET 13 N -2.95 1.16 -2.13 4.14 2.81 0.40 -4.64 117.12 115.90 2c57 n MET 13 Ca -0.00 -0.22 -0.42 0.00 -1.81 0.00 0.00 57.70 55.25 2c57 n MET 13 Cb 0.22 -1.10 -0.03 0.00 -0.71 0.00 0.00 33.22 31.59 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 -0.91 4.37 0.00 4.03 1.43 -1.17 -2.35 118.68 124.08 2c57 s LEU 14 Ca 0.04 2.38 0.00 0.00 -1.03 0.00 0.00 54.13 55.52 2c57 s LEU 14 Cb 0.02 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.65 2c57 s LEU 14 CO 0.03 -0.67 0.00 0.61 0.23 0.00 0.00 176.35 176.55 2c57 n GLY 15 N 3.41 1.94 0.13 -3.19 0.00 -1.18 -3.99 105.19 102.31 2c57 n GLY 15 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.28 0.57 0.01 1.61 1.44 -0.99 -4.94 115.22 112.64 2c57 n HIS 16 Ca 0.00 0.15 -0.01 0.00 -2.01 0.00 0.00 57.72 55.86 2c57 n HIS 16 Cb 0.00 -1.07 -0.00 0.00 0.12 0.00 0.00 29.99 29.04 2c57 n HIS 16 CO 0.00 0.00 0.00 0.07 -2.81 0.00 0.00 176.34 173.60 2c57 h ARG 17 N -0.31 -0.03 -6.02 -1.40 0.11 -1.79 -3.53 114.38 101.41 2c57 h ARG 17 Ca -0.52 0.00 -0.31 0.00 0.10 0.00 0.00 59.98 59.26 2c57 h ARG 17 Cb 1.80 0.01 0.16 0.00 1.11 0.00 0.00 29.97 33.06 2c57 h ARG 17 CO -0.11 -0.02 -1.02 0.41 0.10 0.00 0.00 179.97 179.32 2c57 n GLY 23 N -0.99 -2.38 2.43 0.08 0.00 -1.26 -5.12 105.19 97.96 2c57 n GLY 23 Ca -0.00 -0.51 -0.16 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.23 1.70 -4.96 1.61 0.00 -1.26 -4.57 117.12 109.41 2c57 n MET 24 Ca 0.02 -1.08 -0.26 0.00 -0.00 0.00 0.00 57.70 56.37 2c57 n MET 24 Cb 0.46 -2.16 -0.16 0.00 0.00 0.00 0.00 33.22 31.36 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 2.70 1.55 0.48 1.12 1.01 -1.26 -4.88 120.40 121.11 2c57 s VAL 25 Ca 0.40 -0.84 -0.02 0.00 0.00 0.00 0.00 61.98 61.52 2c57 s VAL 25 Cb 0.14 -1.28 -0.01 0.00 0.00 0.00 0.00 36.38 35.23 2c57 s VAL 25 CO -0.02 0.44 0.73 0.42 0.00 0.00 0.00 175.10 176.66 2c57 s THR 26 N -0.46 4.08 0.24 3.92 -4.23 -1.26 -3.10 115.64 114.83 2c57 s THR 26 Ca 0.07 -0.31 -0.06 0.00 -1.18 0.00 0.00 61.69 60.21 2c57 s THR 26 Cb -0.08 -3.54 0.18 0.00 1.34 0.00 0.00 72.50 70.41 2c57 s THR 26 CO -0.01 -0.43 1.83 0.25 -0.54 0.00 0.00 174.62 175.72 2c57 h LEU 27 N 0.27 1.05 -0.59 4.79 5.85 -1.81 -2.09 115.31 122.79 2c57 h LEU 27 Ca -0.46 -0.13 0.10 0.00 0.84 0.00 0.00 57.88 58.23 2c57 h LEU 27 Cb 1.25 -0.27 -0.08 0.00 0.37 0.00 0.00 40.66 41.93 2c57 h LEU 27 CO 0.59 0.90 0.16 0.44 -0.34 0.00 0.00 178.44 180.19 2c57 h ASP 28 N 1.14 0.08 -0.07 1.25 3.32 -1.94 -0.41 116.42 119.79 2c57 h ASP 28 Ca 0.27 0.10 -0.04 0.00 0.02 0.00 0.00 57.03 57.38 2c57 h ASP 28 Cb 0.14 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 2c57 h ASP 28 CO -0.03 0.06 -0.04 1.56 -1.72 0.00 0.00 179.24 179.06 2c57 h GLN 29 N 0.31 0.29 -0.26 3.56 4.20 -1.83 -0.01 115.11 121.37 2c57 h GLN 29 Ca 0.30 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.91 2c57 h GLN 29 Cb 0.42 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 2c57 h GLN 29 CO -0.36 0.35 -0.03 0.82 -0.67 0.00 0.00 178.83 178.95 2c57 h ILE 30 N 0.28 1.27 -0.10 2.54 2.04 -0.46 -0.75 117.51 122.33 2c57 h ILE 30 Ca 0.06 -0.98 0.00 0.00 1.00 0.00 0.00 64.86 64.94 2c57 h ILE 30 Cb 0.26 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 2c57 h ILE 30 CO 0.01 0.31 0.07 0.45 0.00 0.00 0.00 178.15 178.99 2c57 h HIS 31 N 0.24 0.13 0.00 1.37 3.86 -0.66 -1.39 115.15 118.70 2c57 h HIS 31 Ca 0.07 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.24 2c57 h HIS 31 Cb 0.47 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.89 2c57 h HIS 31 CO 0.04 0.08 -0.22 1.05 0.86 0.00 0.00 177.93 179.74 2c57 h GLU 32 N 0.14 0.00 0.33 2.45 4.11 -0.97 -1.03 114.58 119.61 2c57 h GLU 32 Ca 0.04 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.46 2c57 h GLU 32 Cb -0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2c57 h GLU 32 CO -0.01 0.22 -0.24 0.82 0.07 0.00 0.00 179.01 179.87 2c57 h ILE 33 N 0.00 0.50 -0.42 -1.06 2.04 -0.30 0.45 117.51 118.71 2c57 h ILE 33 Ca -0.00 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.93 2c57 h ILE 33 Cb 0.43 0.50 -0.09 0.00 -0.74 0.00 0.00 36.82 36.91 2c57 h ILE 33 CO 0.03 0.00 -0.41 0.24 0.00 0.00 0.00 178.15 178.01 2c57 h MET 34 N -0.57 -0.29 -0.78 2.37 2.86 -0.19 0.11 114.93 118.45 2c57 h MET 34 Ca -0.03 0.02 0.08 0.00 -2.06 0.00 0.00 59.70 57.72 2c57 h MET 34 Cb 0.49 0.07 -0.11 0.00 0.06 0.00 0.00 31.60 32.10 2c57 h MET 34 CO 0.00 -0.19 -0.54 1.96 1.06 0.00 0.00 176.91 179.20 2c57 h GLN 35 N -0.30 -0.14 -0.94 1.72 7.50 -0.95 0.24 115.11 122.25 2c57 h GLN 35 Ca 0.15 0.01 0.20 0.00 0.50 0.00 0.00 58.65 59.51 2c57 h GLN 35 Cb 0.57 0.03 -0.11 0.00 0.05 0.00 0.00 27.48 28.02 2c57 h GLN 35 CO -0.58 -0.09 0.51 1.15 -1.50 0.00 0.00 178.83 178.31 2c57 h THR 36 N -0.14 0.61 -0.77 -0.54 2.02 0.14 1.18 112.91 115.42 2c57 h THR 36 Ca 0.15 -0.20 -0.05 0.00 0.77 0.00 0.00 66.41 67.08 2c57 h THR 36 Cb 0.50 -0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.84 2c57 h THR 36 CO -0.82 0.11 0.30 0.15 0.37 0.00 0.00 175.52 175.63 2c57 h PHE 37 N 0.59 1.18 0.09 3.16 3.57 0.11 -1.24 116.94 124.40 2c57 h PHE 37 Ca 0.56 -0.09 -0.00 0.00 3.53 0.00 0.00 57.97 61.96 2c57 h PHE 37 Cb 0.95 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.34 2c57 h PHE 37 CO -0.06 0.90 -0.04 0.28 -2.23 0.00 0.00 178.31 177.15 2c57 h VAL 38 N 1.11 0.67 -1.05 1.41 2.07 0.38 0.74 116.25 121.58 2c57 h VAL 38 Ca 0.25 -1.31 0.30 0.00 0.82 0.00 0.00 66.70 66.77 2c57 h VAL 38 Cb 0.23 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 2c57 h VAL 38 CO -0.02 0.21 0.76 0.11 0.02 0.00 0.00 177.57 178.64 2c57 h LYS 39 N -0.97 0.00 0.00 1.57 6.56 0.12 -0.25 116.57 123.60 2c57 h LYS 39 Ca -0.01 -0.00 -0.06 0.00 -1.06 0.00 0.00 60.65 59.51 2c57 h LYS 39 Cb 0.43 -0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.08 2c57 h LYS 39 CO 0.02 0.00 -0.82 0.94 -2.06 0.00 0.00 179.45 177.54 2c57 n GLN 40 N -4.22 0.49 0.00 3.15 0.00 -0.47 -4.27 117.38 112.06 2c57 n GLN 40 Ca 0.22 0.47 0.00 0.00 -0.00 0.00 0.00 57.00 57.70 2c57 n GLN 40 Cb 1.11 -1.65 0.00 0.00 0.00 0.00 0.00 30.24 29.70 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 1.54 0.00 2.34 1.69 0.00 0.26 -4.74 105.19 106.27 2c57 n GLY 41 Ca -0.15 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.88 -4.39 -4.73 1.61 2.85 -0.16 -4.95 115.26 104.62 2c57 n ASN 42 Ca 0.00 0.21 -0.40 0.00 -0.11 0.00 0.00 54.58 54.28 2c57 n ASN 42 Cb 0.00 -3.80 -0.05 0.00 1.24 0.00 0.00 39.78 37.17 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 -5.15 4.36 -0.77 1.20 1.43 -1.20 -4.98 118.68 113.57 2c57 s LEU 43 Ca 0.00 1.26 -0.25 0.00 -1.03 0.00 0.00 54.13 54.11 2c57 s LEU 43 Cb 0.00 -3.12 -0.06 0.00 0.03 0.00 0.00 46.19 43.04 2c57 s LEU 43 CO 0.00 -0.07 2.07 -0.62 0.23 0.00 0.00 176.35 177.96 2c57 s ASP 44 N 0.53 4.84 -0.21 2.29 -1.08 -1.26 -4.83 116.67 116.94 2c57 s ASP 44 Ca 0.38 -0.12 -0.04 0.00 -0.52 0.00 0.00 52.55 52.25 2c57 s ASP 44 Cb -0.19 -2.54 0.10 0.00 -1.46 0.00 0.00 42.92 38.83 2c57 s ASP 44 CO 0.20 -2.91 0.28 -0.69 0.52 0.00 0.00 175.17 172.56 2c57 s VAL 45 N 11.04 -0.42 -0.21 1.11 1.01 -1.26 -3.93 120.40 127.74 2c57 s VAL 45 Ca 0.77 -0.08 -0.27 0.00 0.00 0.00 0.00 61.98 62.40 2c57 s VAL 45 Cb -0.10 -0.71 0.00 0.00 0.00 0.00 0.00 36.38 35.57 2c57 s VAL 45 CO 0.09 -0.16 0.95 -1.61 0.00 0.00 0.00 175.10 174.37 2c57 s GLU 46 N 2.40 4.26 0.08 2.72 8.01 -0.95 -4.95 118.70 130.27 2c57 s GLU 46 Ca 0.08 1.20 0.04 0.00 0.01 0.00 0.00 54.97 56.30 2c57 s GLU 46 Cb -0.15 -3.62 -0.04 0.00 -4.31 0.00 0.00 34.13 26.00 2c57 s GLU 46 CO -0.13 -0.53 0.04 -0.51 0.01 0.00 0.00 175.26 174.14 2c57 s LEU 47 N 2.84 3.63 -0.03 1.80 1.43 -1.26 0.14 118.68 127.23 2c57 s LEU 47 Ca 0.41 -0.09 0.03 0.00 -1.03 0.00 0.00 54.13 53.46 2c57 s LEU 47 Cb -0.16 -2.32 -0.00 0.00 0.03 0.00 0.00 46.19 43.74 2c57 s LEU 47 CO 0.08 0.18 -0.12 -0.70 0.23 0.00 0.00 176.35 176.02 2c57 s GLU 48 N -2.30 1.21 -0.11 1.70 2.12 -0.58 -4.92 118.70 115.83 2c57 s GLU 48 Ca 0.27 -0.42 -0.02 0.00 0.36 0.00 0.00 54.97 55.16 2c57 s GLU 48 Cb -0.12 -1.11 -0.03 0.00 0.26 0.00 0.00 34.13 33.13 2c57 s GLU 48 CO 0.19 0.18 -0.04 -0.06 -0.54 0.00 0.00 175.26 175.00 2c57 s PHE 49 N 0.05 3.04 -0.05 5.30 0.08 -1.26 -0.61 117.98 124.52 2c57 s PHE 49 Ca -0.02 -0.05 -0.02 0.00 0.12 0.00 0.00 56.93 56.96 2c57 s PHE 49 Cb -0.09 -1.83 0.04 0.00 -0.57 0.00 0.00 43.02 40.57 2c57 s PHE 49 CO 0.01 0.23 0.11 0.12 -0.10 0.00 0.00 175.22 175.58 2c57 s PHE 50 N -0.36 -0.08 0.03 0.36 5.36 -0.60 -5.00 117.98 117.69 2c57 s PHE 50 Ca 0.06 0.39 0.07 0.00 -0.96 0.00 0.00 56.93 56.49 2c57 s PHE 50 Cb -0.12 -0.25 -0.03 0.00 -0.34 0.00 0.00 43.02 42.28 2c57 s PHE 50 CO 0.02 -0.18 -0.20 -1.14 -1.46 0.00 0.00 175.22 172.26 2c57 s GLN 51 N 1.65 2.03 0.06 10.12 -0.44 -1.26 -0.70 119.66 131.12 2c57 s GLN 51 Ca -0.03 -1.00 -0.16 0.00 -2.50 0.00 0.00 55.36 51.67 2c57 s GLN 51 Cb -0.12 -2.14 0.03 0.00 -1.64 0.00 0.00 33.01 29.14 2c57 s GLN 51 CO -0.05 0.54 0.38 -0.08 0.50 0.00 0.00 175.29 176.58 2c57 s THR 52 N -0.87 0.07 -2.12 -0.34 -1.32 -0.22 -4.95 115.64 105.88 2c57 s THR 52 Ca 0.13 -0.56 0.22 0.00 -1.21 0.00 0.00 61.69 60.28 2c57 s THR 52 Cb -0.10 -1.02 0.58 0.00 -1.51 0.00 0.00 72.50 70.45 2c57 s THR 52 CO 0.04 -0.31 1.50 0.59 -2.21 0.00 0.00 174.62 174.23 2c57 n ASN 53 N 0.32 3.70 -4.36 8.08 3.02 -1.26 -1.53 115.26 123.24 2c57 n ASN 53 Ca -0.18 -1.99 -0.36 0.00 -0.03 0.00 0.00 54.58 52.02 2c57 n ASN 53 Cb 0.61 -0.42 -0.13 0.00 -0.61 0.00 0.00 39.78 39.23 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 -1.17 3.01 0.15 3.10 0.40 -1.26 -4.77 117.98 117.45 2c57 s PHE 54 Ca 0.45 -0.74 -0.19 0.00 -0.60 0.00 0.00 56.93 55.85 2c57 s PHE 54 Cb 0.24 -2.16 0.05 0.00 0.51 0.00 0.00 43.02 41.66 2c57 s PHE 54 CO 0.32 -0.48 1.66 1.49 0.70 0.00 0.00 175.22 178.92 2c57 h GLU 55 N 8.16 -0.09 -0.46 0.44 4.81 -2.00 -1.97 114.58 123.46 2c57 h GLU 55 Ca -0.40 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 58.92 2c57 h GLU 55 Cb 1.17 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.54 2c57 h GLU 55 CO 0.59 -0.06 0.32 0.78 -0.73 0.00 0.00 179.01 179.91 2c57 h GLY 56 N -0.09 0.35 1.87 1.92 0.00 -1.99 -1.77 103.07 103.36 2c57 h GLY 56 Ca 0.15 -0.11 -0.12 0.00 0.00 0.00 0.00 47.33 47.25 2c57 h GLY 56 CO -0.35 0.07 -0.53 0.83 0.00 0.00 0.00 176.54 176.56 2c57 h GLU 57 N 0.26 0.14 0.05 4.80 5.08 -1.79 0.20 114.58 123.33 2c57 h GLU 57 Ca 0.21 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2c57 h GLU 57 Cb 0.49 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2c57 h GLU 57 CO -0.04 0.64 -0.02 0.82 -1.00 0.00 0.00 179.01 179.40 2c57 h ILE 58 N 0.11 1.20 -0.44 3.13 2.04 -0.96 -1.24 117.51 121.35 2c57 h ILE 58 Ca 0.00 -0.85 0.08 0.00 1.00 0.00 0.00 64.86 65.09 2c57 h ILE 58 Cb 0.97 1.76 -0.07 0.00 -0.74 0.00 0.00 36.82 38.74 2c57 h ILE 58 CO 0.08 0.21 0.05 0.40 0.00 0.00 0.00 178.15 178.88 2c57 h ILE 59 N -0.45 0.71 -0.73 -0.67 2.04 -1.31 -0.23 117.51 116.88 2c57 h ILE 59 Ca -0.01 -0.06 0.04 0.00 1.00 0.00 0.00 64.86 65.84 2c57 h ILE 59 Cb 0.40 0.53 -0.05 0.00 -0.74 0.00 0.00 36.82 36.96 2c57 h ILE 59 CO 0.01 0.03 0.45 0.44 0.00 0.00 0.00 178.15 179.08 2c57 h ASP 60 N 0.16 0.72 -0.42 1.72 5.19 -0.53 -1.50 116.42 121.76 2c57 h ASP 60 Ca 0.22 0.01 -0.12 0.00 -0.62 0.00 0.00 57.03 56.51 2c57 h ASP 60 Cb 0.30 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.66 2c57 h ASP 60 CO -0.32 0.48 -0.22 0.50 -3.12 0.00 0.00 179.24 176.56 2c57 h LYS 61 N 0.85 0.89 -0.49 3.56 1.63 0.04 0.45 116.57 123.50 2c57 h LYS 61 Ca 0.31 -0.40 -0.06 0.00 -0.85 0.00 0.00 60.65 59.65 2c57 h LYS 61 Cb 0.08 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.67 2c57 h LYS 61 CO -0.14 1.05 0.07 0.82 -3.45 0.00 0.00 179.45 177.81 2c57 h ILE 62 N 0.71 1.25 -0.34 2.00 2.04 -0.87 -1.73 117.51 120.57 2c57 h ILE 62 Ca 0.09 -0.94 -0.00 0.00 1.00 0.00 0.00 64.86 65.01 2c57 h ILE 62 Cb 0.79 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 2c57 h ILE 62 CO 0.07 0.33 0.19 1.56 0.00 0.00 0.00 178.15 180.30 2c57 h GLN 63 N 0.70 0.46 0.00 2.37 4.20 -1.05 -1.84 115.11 119.95 2c57 h GLN 63 Ca 0.15 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.78 2c57 h GLN 63 Cb 0.40 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 2c57 h GLN 63 CO 0.01 0.33 -0.22 0.93 -0.67 0.00 0.00 178.83 179.21 2c57 h GLU 64 N 0.47 0.00 -0.83 1.46 5.08 -0.22 -3.24 114.58 117.30 2c57 h GLU 64 Ca 0.12 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 2c57 h GLU 64 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 2c57 h GLU 64 CO -0.02 0.22 0.43 0.66 -1.00 0.00 0.00 179.01 179.30 2c57 h SER 65 N 0.00 1.05 0.00 1.42 4.64 -0.47 -3.10 113.55 117.09 2c57 h SER 65 Ca -0.00 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 2c57 h SER 65 Cb 0.81 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2c57 h SER 65 CO 0.03 0.86 0.44 0.52 -0.87 0.00 0.00 176.83 177.81 2c57 n VAL 66 N -4.37 0.32 -3.55 0.95 0.31 -1.22 -4.28 118.33 106.49 2c57 n VAL 66 Ca 0.08 0.52 -0.37 0.00 -0.01 0.00 0.00 64.34 64.57 2c57 n VAL 66 Cb 0.11 -1.52 -0.07 0.00 -0.91 0.00 0.00 33.84 31.45 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 -2.21 2.28 0.00 2.92 0.00 -1.17 -5.04 107.32 104.09 2c57 s GLY 67 Ca -0.00 -0.40 0.00 0.00 0.00 0.00 0.00 44.72 44.32 2c57 s GLY 67 CO 0.00 0.31 0.00 1.44 0.00 0.00 0.00 173.10 174.85 2c57 n SER 68 N 3.01 0.00 0.00 1.64 7.64 -1.26 -3.83 113.62 120.82 2c57 n SER 68 Ca -0.13 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.75 2c57 n SER 68 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 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 -4.68 6.43 3.85 -1.26 -4.42 116.55 116.47 2c57 n ASP 69 Ca 0.00 0.00 -0.37 0.00 -0.71 0.00 0.00 54.79 53.71 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 -0.60 3.36 -0.31 2.11 1.51 -1.25 -3.63 117.35 118.54 2c57 s TYR 70 Ca 0.00 0.44 0.22 0.00 -1.01 0.00 0.00 57.07 56.72 2c57 s TYR 70 Cb 0.00 -2.38 -0.23 0.00 -0.11 0.00 0.00 41.96 39.23 2c57 s TYR 70 CO 0.00 0.06 0.69 0.39 -1.11 0.00 0.00 175.55 175.58 2c57 n GLU 71 N 4.25 0.48 -3.51 -0.62 1.02 -0.25 -4.95 120.64 117.06 2c57 n GLU 71 Ca -0.12 -0.11 -0.13 0.00 -0.02 0.00 0.00 57.16 56.79 2c57 n GLU 71 Cb 0.52 -1.55 -0.04 0.00 -0.02 0.00 0.00 31.44 30.34 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 -4.10 -0.50 -0.07 0.62 0.00 -1.26 -4.06 107.32 97.95 2c57 s GLY 72 Ca -0.03 0.53 0.03 0.00 0.00 0.00 0.00 44.72 45.26 2c57 s GLY 72 CO 0.88 0.22 -0.17 -0.42 0.00 0.00 0.00 173.10 173.60 2c57 s ILE 73 N -3.07 1.51 -0.13 0.90 1.01 -0.02 -0.80 121.20 120.60 2c57 s ILE 73 Ca -0.02 -0.72 -0.04 0.00 0.00 0.00 0.00 60.65 59.87 2c57 s ILE 73 Cb -0.00 -1.33 -0.03 0.00 0.01 0.00 0.00 42.46 41.10 2c57 s ILE 73 CO -0.07 0.44 0.02 -0.63 0.00 0.00 0.00 174.94 174.70 2c57 s ILE 74 N 0.41 4.48 -0.12 2.92 1.01 0.11 -0.63 121.20 129.38 2c57 s ILE 74 Ca -0.14 -0.17 -0.08 0.00 0.00 0.00 0.00 60.65 60.26 2c57 s ILE 74 Cb -0.16 -2.94 0.04 0.00 0.01 0.00 0.00 42.46 39.41 2c57 s ILE 74 CO 0.05 0.55 0.30 -0.51 0.00 0.00 0.00 174.94 175.33 2c57 s ILE 75 N -0.33 -0.02 -0.65 2.92 2.07 0.45 -0.64 121.20 125.01 2c57 s ILE 75 Ca 0.07 0.07 0.01 0.00 -1.41 0.00 0.00 60.65 59.39 2c57 s ILE 75 Cb -0.12 -0.44 0.16 0.00 0.13 0.00 0.00 42.46 42.19 2c57 s ILE 75 CO 0.02 0.03 0.45 0.21 -1.91 0.00 0.00 174.94 173.73 2c57 s ASN 76 N 0.76 5.00 0.00 4.50 3.84 -0.07 -0.36 114.94 128.62 2c57 s ASN 76 Ca -0.05 -3.19 0.00 0.00 0.21 0.00 0.00 52.86 49.83 2c57 s ASN 76 Cb -0.06 -1.77 0.00 0.00 -0.55 0.00 0.00 41.25 38.87 2c57 s ASN 76 CO -0.05 -0.26 0.87 -2.65 -2.79 0.00 0.00 177.10 172.22 2c57 n PRO 77 N 2.96 0.00 0.00 0.43 -0.02 -1.26 -0.95 135.00 136.16 2c57 n PRO 77 Ca 0.11 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 2c57 n PRO 77 Cb 0.35 -1.53 0.00 0.00 -0.02 0.00 0.00 33.50 32.30 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 -1.37 2.85 0.35 -1.23 0.00 -1.26 -1.95 105.19 102.58 2c57 n GLY 78 Ca 0.00 -0.33 0.17 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.87 2.02 0.00 4.61 0.00 -1.91 0.09 119.26 123.20 2c57 h ALA 79 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2c57 h ALA 79 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2c57 h ALA 79 CO 0.00 -0.39 0.00 0.74 0.00 0.00 0.00 179.25 179.60 2c57 h PHE 80 N 0.00 0.00 -0.79 0.00 0.04 -1.79 -2.81 116.94 111.59 2c57 h PHE 80 Ca 0.13 0.00 0.17 0.00 2.80 0.00 0.00 57.97 61.07 2c57 h PHE 80 Cb 0.64 0.00 -0.11 0.00 2.20 0.00 0.00 35.95 38.67 2c57 h PHE 80 CO 0.00 0.00 0.27 0.77 -0.60 0.00 0.00 178.31 178.75 2c57 h SER 81 N 0.00 0.17 1.77 2.17 0.02 -1.06 0.39 113.55 117.00 2c57 h SER 81 Ca 0.00 0.14 -0.04 0.00 -0.84 0.00 0.00 61.79 61.05 2c57 h SER 81 Cb 0.29 0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 2c57 h SER 81 CO 0.00 0.01 -0.24 0.45 -1.14 0.00 0.00 176.83 175.91 2c57 h HIS 82 N 0.35 0.00 0.00 3.45 3.86 -1.70 -0.52 115.15 120.59 2c57 h HIS 82 Ca 0.46 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.67 2c57 h HIS 82 Cb 0.80 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.27 2c57 h HIS 82 CO -0.20 0.18 -0.69 0.25 0.86 0.00 0.00 177.93 178.33 2c57 n THR 83 N -3.12 0.00 -2.59 2.45 -2.24 -0.75 -4.50 114.28 103.52 2c57 n THR 83 Ca 0.03 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.40 2c57 n THR 83 Cb 0.61 -0.64 -0.03 0.00 -2.10 0.00 0.00 70.33 68.17 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 -2.56 6.49 0.42 3.42 0.15 0.13 -4.80 113.70 116.94 2c57 s SER 84 Ca 0.00 -1.43 0.09 0.00 0.70 0.00 0.00 55.95 55.31 2c57 s SER 84 Cb 0.00 -2.55 0.91 0.00 -1.71 0.00 0.00 66.02 62.66 2c57 s SER 84 CO 0.00 -1.49 2.04 0.40 1.20 0.00 0.00 173.24 175.39 2c57 h ILE 85 N 6.66 1.10 0.39 6.45 2.04 -1.93 -2.87 117.51 129.34 2c57 h ILE 85 Ca 0.16 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 2c57 h ILE 85 Cb 1.01 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 2c57 h ILE 85 CO 1.39 0.11 -0.19 0.00 0.00 0.00 0.00 178.15 179.47 2c57 h ALA 86 N 1.76 -0.52 -0.83 1.87 0.00 -1.98 0.77 119.26 120.34 2c57 h ALA 86 Ca 0.11 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 54.96 2c57 h ALA 86 Cb 0.03 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 2c57 h ALA 86 CO -0.02 -0.73 0.54 0.82 0.00 0.00 0.00 179.25 179.86 2c57 h ILE 87 N -0.64 0.97 0.20 0.00 2.04 -1.92 0.19 117.51 118.35 2c57 h ILE 87 Ca -0.05 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 2c57 h ILE 87 Cb 0.47 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 2c57 h ILE 87 CO 0.09 0.15 -0.10 0.00 0.00 0.00 0.00 178.15 178.29 2c57 h ALA 88 N 1.58 -0.27 -0.98 1.87 0.00 -1.30 0.14 119.26 120.30 2c57 h ALA 88 Ca 0.38 -0.14 0.24 0.00 0.00 0.00 0.00 54.91 55.40 2c57 h ALA 88 Cb 0.40 0.10 -0.13 0.00 0.00 0.00 0.00 17.79 18.17 2c57 h ALA 88 CO -0.15 -0.55 0.55 -0.44 0.00 0.00 0.00 179.25 178.66 2c57 h ASP 89 N -0.48 0.59 0.30 0.00 5.19 0.05 -0.17 116.42 121.91 2c57 h ASP 89 Ca -0.03 0.14 -0.01 0.00 -0.62 0.00 0.00 57.03 56.51 2c57 h ASP 89 Cb 0.36 0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.94 2c57 h ASP 89 CO 0.05 0.07 -0.15 0.00 -3.12 0.00 0.00 179.24 176.08 2c57 h ALA 90 N 1.73 -0.41 -1.19 3.45 0.00 -0.10 -2.86 119.26 119.88 2c57 h ALA 90 Ca 0.63 -0.19 0.34 0.00 0.00 0.00 0.00 54.91 55.69 2c57 h ALA 90 Cb 1.22 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 19.10 2c57 h ALA 90 CO -0.50 -0.51 0.83 0.82 0.00 0.00 0.00 179.25 179.89 2c57 h ILE 91 N -0.84 0.40 0.00 0.00 2.04 0.05 0.24 117.51 119.41 2c57 h ILE 91 Ca -0.04 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 2c57 h ILE 91 Cb 0.52 0.29 -0.00 0.00 -0.74 0.00 0.00 36.82 36.89 2c57 h ILE 91 CO 0.07 0.02 -0.02 0.24 0.00 0.00 0.00 178.15 178.46 2c57 h MET 92 N 0.11 0.00 -0.03 2.37 2.86 -0.82 -2.87 114.93 116.55 2c57 h MET 92 Ca 0.60 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.24 2c57 h MET 92 Cb 2.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.81 2c57 h MET 92 CO -0.11 0.02 -0.05 1.28 1.06 0.00 0.00 176.91 179.11 2c57 n LEU 93 N -3.12 2.78 -0.05 1.22 4.77 0.82 -4.25 117.00 119.17 2c57 n LEU 93 Ca 0.01 -0.97 0.22 0.00 -0.03 0.00 0.00 56.01 55.24 2c57 n LEU 93 Cb 0.33 0.00 0.70 0.00 -2.33 0.00 0.00 43.42 42.12 2c57 n LEU 93 CO 0.28 0.47 1.21 0.00 -1.33 0.00 0.00 177.39 178.02 2c57 h ALA 94 N 4.35 2.59 -6.42 -1.18 0.00 -1.22 -3.46 119.26 113.92 2c57 h ALA 94 Ca 0.00 -0.02 -0.48 0.00 0.00 0.00 0.00 54.91 54.41 2c57 h ALA 94 Cb 0.92 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 2c57 h ALA 94 CO 0.00 -0.77 -0.91 0.41 0.00 0.00 0.00 179.25 177.98 2c57 n GLY 95 N -1.66 -0.50 0.00 0.00 0.00 -1.26 -4.80 105.19 96.97 2c57 n GLY 95 Ca 0.12 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 -4.36 0.00 -1.68 1.61 2.85 -1.26 -5.13 118.16 110.19 2c57 n LYS 96 Ca -0.23 0.00 -0.48 0.00 -1.05 0.00 0.00 58.31 56.55 2c57 n LYS 96 Cb 0.65 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.98 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 -0.32 2.17 -4.94 -1.58 -0.02 -1.26 -4.84 135.00 124.22 2c57 n PRO 97 Ca 0.00 0.79 -0.32 0.00 -2.02 0.00 0.00 63.50 61.95 2c57 n PRO 97 Cb 0.00 -2.62 -0.16 0.00 -0.02 0.00 0.00 33.50 30.69 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 3.39 2.24 -0.20 -1.45 1.01 -1.26 -0.84 120.40 123.30 2c57 s VAL 98 Ca 0.90 -0.94 -0.03 0.00 0.00 0.00 0.00 61.98 61.91 2c57 s VAL 98 Cb -0.69 -1.89 -0.01 0.00 0.00 0.00 0.00 36.38 33.79 2c57 s VAL 98 CO 0.49 0.55 -0.06 -0.63 0.00 0.00 0.00 175.10 175.45 2c57 s ILE 99 N 0.53 3.38 0.01 2.22 1.01 0.20 -2.59 121.20 125.95 2c57 s ILE 99 Ca -0.13 -0.51 -0.22 0.00 0.00 0.00 0.00 60.65 59.79 2c57 s ILE 99 Cb -0.17 -2.51 -0.05 0.00 0.01 0.00 0.00 42.46 39.74 2c57 s ILE 99 CO 0.05 0.45 0.67 -0.70 0.00 0.00 0.00 174.94 175.40 2c57 s GLU 100 N 1.13 4.39 -0.04 2.79 2.12 -0.96 -0.41 118.70 127.72 2c57 s GLU 100 Ca 0.01 0.87 0.06 0.00 0.36 0.00 0.00 54.97 56.27 2c57 s GLU 100 Cb -0.15 -3.36 -0.02 0.00 0.26 0.00 0.00 34.13 30.87 2c57 s GLU 100 CO -0.01 0.32 -0.22 0.08 -0.54 0.00 0.00 175.26 174.89 2c57 s VAL 101 N -0.08 2.42 -0.02 3.70 1.01 0.52 -0.99 120.40 126.97 2c57 s VAL 101 Ca 0.34 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.41 2c57 s VAL 101 Cb -0.19 -1.89 -0.01 0.00 0.00 0.00 0.00 36.38 34.29 2c57 s VAL 101 CO 0.19 0.58 -0.14 -1.00 0.00 0.00 0.00 175.10 174.73 2c57 s HIS 102 N -0.55 1.29 0.02 5.22 3.76 -0.00 -4.27 115.29 120.76 2c57 s HIS 102 Ca 0.08 -0.26 -0.24 0.00 -0.15 0.00 0.00 55.06 54.49 2c57 s HIS 102 Cb -0.11 -0.84 -0.17 0.00 1.11 0.00 0.00 32.58 32.57 2c57 s HIS 102 CO 0.00 -0.04 1.38 -0.07 -0.85 0.00 0.00 174.74 175.16 2c57 h LEU 103 N 5.89 0.11-10.58 0.89 3.38 -1.89 -2.31 115.31 110.80 2c57 h LEU 103 Ca -0.34 -0.39 -0.45 0.00 0.09 0.00 0.00 57.88 56.78 2c57 h LEU 103 Cb 1.16 -0.03 0.05 0.00 0.09 0.00 0.00 40.66 41.93 2c57 h LEU 103 CO 0.49 0.48 -0.03 0.42 0.09 0.00 0.00 178.44 179.89 2c57 s THR 104 N -4.63 2.46 -0.70 0.22 -4.23 -1.26 -0.63 115.64 106.87 2c57 s THR 104 Ca -0.15 -0.73 -0.17 0.00 -1.18 0.00 0.00 61.69 59.46 2c57 s THR 104 Cb 0.04 -2.74 0.15 0.00 1.34 0.00 0.00 72.50 71.29 2c57 s THR 104 CO 0.69 0.00 0.75 0.21 -0.54 0.00 0.00 174.62 175.73 2c57 s ASN 105 N -4.55 6.42 0.59 3.99 3.84 -1.26 -1.20 114.94 122.77 2c57 s ASN 105 Ca 0.60 -1.96 0.39 0.00 0.21 0.00 0.00 52.86 52.10 2c57 s ASN 105 Cb -0.08 -2.27 1.94 0.00 -0.55 0.00 0.00 41.25 40.29 2c57 s ASN 105 CO 0.40 -0.90 2.17 0.16 -2.79 0.00 0.00 177.10 176.14 2c57 h ILE 106 N 5.57 0.00 -0.61 -5.21 3.07 -1.92 0.40 117.51 118.80 2c57 h ILE 106 Ca -0.11 -0.18 0.13 0.00 1.55 0.00 0.00 64.86 66.24 2c57 h ILE 106 Cb 1.07 1.14 -0.03 0.00 -0.27 0.00 0.00 36.82 38.72 2c57 h ILE 106 CO 0.99 0.00 0.42 1.56 -1.05 0.00 0.00 178.15 180.06 2c57 h GLN 107 N 0.00 0.25 -0.66 0.16 1.08 -1.83 -3.28 115.11 110.83 2c57 h GLN 107 Ca 0.00 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 2c57 h GLN 107 Cb 0.19 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 2c57 h GLN 107 CO 0.00 0.17 0.00 0.00 -0.95 0.00 0.00 178.83 178.05 2c57 n ALA 108 N -2.56 2.76 -3.00 3.87 0.00 0.14 -4.89 120.51 116.83 2c57 n ALA 108 Ca 0.11 -1.48 0.00 0.00 0.00 0.00 0.00 53.44 52.07 2c57 n ALA 108 Cb 0.50 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 19.01 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 1.26 3.42 -1.15 0.00 1.74 -1.24 -5.04 116.66 115.66 2c57 n ARG 109 Ca 0.25 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 57.00 2c57 n ARG 109 Cb 0.77 0.00 0.12 0.00 -1.02 0.00 0.00 32.46 32.32 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 1.53 1.75 0.21 5.56 8.01 -1.26 -4.88 118.70 129.61 2c57 s GLU 110 Ca 0.00 1.61 -0.21 0.00 0.01 0.00 0.00 54.97 56.38 2c57 s GLU 110 Cb 0.00 -1.80 0.16 0.00 -4.31 0.00 0.00 34.13 28.17 2c57 s GLU 110 CO 0.00 -2.10 1.56 1.49 0.01 0.00 0.00 175.26 176.22 2c57 h GLU 111 N -0.97 -0.06 0.00 1.61 4.57 -1.94 -0.50 114.58 117.29 2c57 h GLU 111 Ca -0.45 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 2c57 h GLU 111 Cb 1.28 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.88 2c57 h GLU 111 CO 0.47 -0.04 0.15 0.27 -1.18 0.00 0.00 179.01 178.68 2c57 h PHE 112 N -0.06 0.00 -0.01 0.92 -5.15 -1.97 0.04 116.94 110.71 2c57 h PHE 112 Ca 0.28 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.05 2c57 h PHE 112 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.73 2c57 h PHE 112 CO -0.83 0.00 -0.39 0.54 -2.00 0.00 0.00 178.31 175.62 2c57 n ARG 113 N -2.44 0.89 0.06 6.09 1.74 -0.20 -4.70 116.66 118.10 2c57 n ARG 113 Ca -0.02 -0.63 -0.02 0.00 -0.77 0.00 0.00 57.85 56.41 2c57 n ARG 113 Cb 0.19 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.13 2c57 n ARG 113 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2c57 h LYS 114 N 1.54 -0.15 -6.74 5.56 1.57 -1.04 -3.43 116.57 113.89 2c57 h LYS 114 Ca 0.00 0.01 -0.57 0.00 -1.87 0.00 0.00 60.65 58.22 2c57 h LYS 114 Cb 0.60 0.03 0.13 0.00 0.08 0.00 0.00 32.23 33.07 2c57 h LYS 114 CO 0.00 -0.10 0.35 -1.71 -0.57 0.00 0.00 179.45 177.42 2c57 n ASN 115 N -2.50 1.98 -4.03 0.86 5.15 -1.26 -4.60 115.26 110.87 2c57 n ASN 115 Ca -0.02 1.08 -0.31 0.00 -0.60 0.00 0.00 54.58 54.73 2c57 n ASN 115 Cb 0.06 -1.43 -0.16 0.00 -0.53 0.00 0.00 39.78 37.72 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 -0.62 3.20 0.06 1.20 0.15 -1.26 -4.39 113.70 112.04 2c57 s SER 116 Ca 0.62 -0.76 -0.24 0.00 0.70 0.00 0.00 55.95 56.27 2c57 s SER 116 Cb -0.54 -1.29 -0.17 0.00 -1.71 0.00 0.00 66.02 62.32 2c57 s SER 116 CO 0.58 -0.09 1.59 1.88 1.20 0.00 0.00 173.24 178.39 2c57 h TYR 117 N 7.98 -0.07 -0.32 3.44 0.05 -1.32 -2.71 116.97 124.02 2c57 h TYR 117 Ca -0.34 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.44 2c57 h TYR 117 Cb 1.11 0.02 -0.02 0.00 1.01 0.00 0.00 36.73 38.86 2c57 h TYR 117 CO 0.50 0.08 0.21 1.79 -1.05 0.00 0.00 178.16 179.70 2c57 h THR 118 N -0.22 1.08 -0.51 -2.88 1.35 -1.79 -2.23 112.91 107.72 2c57 h THR 118 Ca -0.01 -0.15 -0.11 0.00 -0.55 0.00 0.00 66.41 65.59 2c57 h THR 118 Cb 0.19 0.61 -0.02 0.00 -1.73 0.00 0.00 68.15 67.20 2c57 h THR 118 CO 0.01 0.08 -0.11 1.23 -0.25 0.00 0.00 175.52 176.48 2c57 h GLY 119 N 0.44 1.07 2.00 5.82 0.00 -1.81 -1.80 103.07 108.79 2c57 h GLY 119 Ca 0.12 -0.87 -0.01 0.00 0.00 0.00 0.00 47.33 46.56 2c57 h GLY 119 CO -0.03 0.80 -0.07 0.00 0.00 0.00 0.00 176.54 177.24 2c57 h ALA 120 N 0.91 1.50 0.15 3.60 0.00 -1.08 -2.95 119.26 121.39 2c57 h ALA 120 Ca 0.13 -0.06 -0.33 0.00 0.00 0.00 0.00 54.91 54.64 2c57 h ALA 120 Cb 0.68 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2c57 h ALA 120 CO 0.05 0.09 -1.67 0.00 0.00 0.00 0.00 179.25 177.72 2c57 h ALA 121 N 1.93 0.22 -2.96 0.00 0.00 -1.27 -3.44 119.26 113.73 2c57 h ALA 121 Ca -0.00 -1.14 -0.55 0.00 0.00 0.00 0.00 54.91 53.22 2c57 h ALA 121 Cb 0.17 0.39 0.16 0.00 0.00 0.00 0.00 17.79 18.51 2c57 h ALA 121 CO 0.01 1.09 0.47 0.00 0.00 0.00 0.00 179.25 180.82 2c57 h GLY 123 N 0.22 0.00 -4.36 0.00 0.00 -1.75 -3.46 103.07 93.73 2c57 h GLY 123 Ca -0.50 0.00 0.20 0.00 0.00 0.00 0.00 47.33 47.03 2c57 h GLY 123 CO 0.52 0.00 0.79 -0.32 0.00 0.00 0.00 176.54 177.52 2c57 s GLY 124 N -4.11 -0.15 -0.04 4.60 0.00 -1.26 -5.10 107.32 101.25 2c57 s GLY 124 Ca -0.05 2.15 0.03 0.00 0.00 0.00 0.00 44.72 46.85 2c57 s GLY 124 CO 0.59 0.87 -0.12 0.14 0.00 0.00 0.00 173.10 174.58 2c57 s VAL 125 N -1.58 1.03 -0.14 1.40 1.01 -1.26 -2.27 120.40 118.59 2c57 s VAL 125 Ca 0.06 -0.47 -0.03 0.00 0.00 0.00 0.00 61.98 61.54 2c57 s VAL 125 Cb -0.01 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.43 2c57 s VAL 125 CO -0.04 0.32 -0.06 -0.63 0.00 0.00 0.00 175.10 174.69 2c57 s ILE 126 N 0.31 3.74 -0.13 2.22 1.01 -0.16 -5.01 121.20 123.17 2c57 s ILE 126 Ca -0.07 -0.42 -0.14 0.00 0.00 0.00 0.00 60.65 60.03 2c57 s ILE 126 Cb -0.11 -2.62 0.04 0.00 0.01 0.00 0.00 42.46 39.77 2c57 s ILE 126 CO 0.02 0.51 0.38 0.00 0.00 0.00 0.00 174.94 175.85 2c57 s MET 127 N 0.23 0.47 0.00 2.79 0.23 -1.26 -0.82 119.30 120.94 2c57 s MET 127 Ca -0.04 0.47 0.00 0.00 -1.03 0.00 0.00 55.69 55.09 2c57 s MET 127 Cb -0.14 0.23 0.00 0.00 -1.53 0.00 0.00 34.83 33.39 2c57 s MET 127 CO 0.03 -0.07 0.00 0.41 -2.03 0.00 0.00 175.02 173.37 2c57 n GLY 128 N 2.72 0.88 0.55 3.16 0.00 -0.34 -4.70 105.19 107.46 2c57 n GLY 128 Ca -0.14 -0.31 0.06 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.25 0.14 -3.55 1.61 3.01 -0.71 -4.69 117.46 111.01 2c57 n PHE 129 Ca 0.00 -0.13 0.00 0.00 1.01 0.00 0.00 57.45 58.33 2c57 n PHE 129 Cb 0.01 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.48 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 0.67 0.95 0.27 1.37 0.00 0.20 -3.48 105.19 105.17 2c57 n GLY 130 Ca 0.09 -0.64 -0.02 0.00 0.00 0.00 0.00 46.02 45.44 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 0.61 -1.38 1.61 0.11 -1.93 -1.68 132.00 129.34 2c57 h PRO 131 Ca 0.00 -0.16 0.45 0.00 0.11 0.00 0.00 66.00 66.40 2c57 h PRO 131 Cb 0.00 -0.07 -0.11 0.00 0.11 0.00 0.00 31.00 30.93 2c57 h PRO 131 CO 0.00 0.67 0.93 -0.11 -0.21 0.00 0.00 178.00 179.28 2c57 n LEU 132 N -4.23 0.13 0.04 2.35 7.94 -1.23 0.11 117.00 122.12 2c57 n LEU 132 Ca 0.02 1.13 0.07 0.00 -1.11 0.00 0.00 56.01 56.12 2c57 n LEU 132 Cb 0.29 -0.56 0.49 0.00 0.53 0.00 0.00 43.42 44.18 2c57 n LEU 132 CO 0.40 -1.21 1.15 1.23 -1.11 0.00 0.00 177.39 177.85 2c57 h GLY 133 N 0.00 0.44 0.81 -3.96 0.00 -1.46 0.30 103.07 99.20 2c57 h GLY 133 Ca 0.80 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.96 2c57 h GLY 133 CO -0.30 0.14 -0.13 -0.97 0.00 0.00 0.00 176.54 175.28 2c57 h TYR 134 N 0.40 -0.35 -0.48 5.60 -1.99 0.65 0.54 116.97 121.34 2c57 h TYR 134 Ca 0.15 -0.01 0.09 0.00 2.00 0.00 0.00 58.73 60.96 2c57 h TYR 134 Cb 0.10 0.11 -0.07 0.00 2.00 0.00 0.00 36.73 38.88 2c57 h TYR 134 CO -0.00 -0.09 0.06 -0.91 -0.00 0.00 0.00 178.16 177.22 2c57 h ASN 135 N -0.57 -0.07 -0.98 3.88 4.21 -1.41 0.40 115.58 121.04 2c57 h ASN 135 Ca -0.04 0.10 0.32 0.00 1.21 0.00 0.00 56.30 57.89 2c57 h ASN 135 Cb 0.41 0.15 -0.16 0.00 -1.12 0.00 0.00 38.32 37.61 2c57 h ASN 135 CO 0.06 -0.01 0.46 0.24 -1.29 0.00 0.00 177.43 176.90 2c57 h MET 136 N 0.19 0.21 0.01 0.81 2.86 -0.77 0.43 114.93 118.66 2c57 h MET 136 Ca 0.24 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.87 2c57 h MET 136 Cb 0.34 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.95 2c57 h MET 136 CO -0.35 0.14 -0.00 0.00 1.06 0.00 0.00 176.91 177.76 2c57 h ALA 137 N 1.88 -0.01 -0.67 6.32 0.00 0.21 -1.99 119.26 124.99 2c57 h ALA 137 Ca 0.71 -0.28 0.12 0.00 0.00 0.00 0.00 54.91 55.47 2c57 h ALA 137 Cb 1.66 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 19.32 2c57 h ALA 137 CO -0.67 -0.22 -0.28 -0.07 0.00 0.00 0.00 179.25 178.01 2c57 h LEU 138 N -0.57 -0.99 -0.80 0.00 3.38 -0.75 0.33 115.31 115.92 2c57 h LEU 138 Ca -0.00 0.23 0.18 0.00 0.09 0.00 0.00 57.88 58.38 2c57 h LEU 138 Cb 0.56 0.54 -0.12 0.00 0.09 0.00 0.00 40.66 41.73 2c57 h LEU 138 CO 0.00 -0.28 0.23 -0.03 0.09 0.00 0.00 178.44 178.45 2c57 h MET 139 N -0.09 0.28 0.01 1.13 4.05 -0.74 0.11 114.93 119.68 2c57 h MET 139 Ca 0.29 -0.02 -0.07 0.00 -0.28 0.00 0.00 59.70 59.62 2c57 h MET 139 Cb 0.55 -0.06 0.01 0.00 -0.80 0.00 0.00 31.60 31.29 2c57 h MET 139 CO -0.73 0.18 -0.26 0.00 0.23 0.00 0.00 176.91 176.33 2c57 h ALA 140 N 1.66 0.01 -0.19 0.39 0.00 -0.31 -3.00 119.26 117.83 2c57 h ALA 140 Ca 0.47 -0.49 0.05 0.00 0.00 0.00 0.00 54.91 54.94 2c57 h ALA 140 Cb 0.84 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.58 2c57 h ALA 140 CO -0.54 0.10 -0.36 1.98 0.00 0.00 0.00 179.25 180.42 2c57 h MET 141 N -0.57 -0.39 -0.89 0.00 -1.53 0.21 0.18 114.93 111.95 2c57 h MET 141 Ca -0.04 0.03 0.18 0.00 -3.44 0.00 0.00 59.70 56.43 2c57 h MET 141 Cb 1.06 0.09 -0.17 0.00 -0.55 0.00 0.00 31.60 32.03 2c57 h MET 141 CO 0.05 -0.26 -0.21 0.28 0.14 0.00 0.00 176.91 176.91 2c57 h VAL 142 N -0.40 0.11 -0.48 -5.77 2.07 -1.09 -0.64 116.25 110.05 2c57 h VAL 142 Ca 0.10 -0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.60 2c57 h VAL 142 Cb 0.57 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 2c57 h VAL 142 CO -0.41 0.00 0.21 0.78 0.02 0.00 0.00 177.57 178.16 2c57 h ASN 143 N 0.00 0.65 -0.30 0.57 2.35 -0.55 -1.30 115.58 117.01 2c57 h ASN 143 Ca 0.43 -0.15 -0.18 0.00 -0.55 0.00 0.00 56.30 55.84 2c57 h ASN 143 Cb 0.67 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.87 2c57 h ASN 143 CO -0.91 0.62 -0.53 0.40 -1.65 0.00 0.00 177.43 175.36 2c57 h ILE 144 N 0.63 1.27 -0.74 2.81 2.04 -0.06 -1.46 117.51 122.01 2c57 h ILE 144 Ca 0.16 -1.71 -0.04 0.00 1.00 0.00 0.00 64.86 64.26 2c57 h ILE 144 Cb 0.17 1.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.83 2c57 h ILE 144 CO -0.02 0.56 0.30 -0.07 0.00 0.00 0.00 178.15 178.92 2c57 h LEU 145 N 0.67 1.03 -0.85 1.44 3.38 -1.17 0.19 115.31 120.00 2c57 h LEU 145 Ca 0.02 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.82 2c57 h LEU 145 Cb 1.14 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.58 2c57 h LEU 145 CO 0.12 0.92 0.55 0.00 0.09 0.00 0.00 178.44 180.12 2c57 h ALA 146 N 1.15 1.08 0.03 1.53 0.00 -0.96 -2.23 119.26 119.85 2c57 h ALA 146 Ca 0.25 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2c57 h ALA 146 Cb 0.22 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2c57 h ALA 146 CO -0.02 0.49 -0.01 1.49 0.00 0.00 0.00 179.25 181.20 2c57 h GLU 147 N 1.15 -0.03 -0.69 0.00 4.81 -0.53 -1.88 114.58 117.40 2c57 h GLU 147 Ca 0.31 0.00 0.12 0.00 -0.13 0.00 0.00 59.36 59.66 2c57 h GLU 147 Cb -0.11 0.01 -0.13 0.00 0.63 0.00 0.00 28.75 29.15 2c57 h GLU 147 CO -0.06 0.67 -0.34 0.52 -0.73 0.00 0.00 179.01 179.06 2c57 h MET 148 N -0.81 -0.11 -0.93 1.92 2.86 -0.73 -1.60 114.93 115.53 2c57 h MET 148 Ca -0.00 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.70 2c57 h MET 148 Cb 0.71 0.03 -0.06 0.00 0.06 0.00 0.00 31.60 32.34 2c57 h MET 148 CO 0.01 -0.08 0.60 0.87 1.06 0.00 0.00 176.91 179.38 2c57 h LYS 149 N -0.12 1.07 -0.77 1.72 1.57 -1.38 -1.30 116.57 117.36 2c57 h LYS 149 Ca 0.26 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.95 2c57 h LYS 149 Cb 0.56 -0.24 -0.04 0.00 0.08 0.00 0.00 32.23 32.59 2c57 h LYS 149 CO -0.76 0.71 0.36 0.00 -0.57 0.00 0.00 179.45 179.19 2c57 h ALA 150 N 1.48 1.00 -0.03 3.86 0.00 -0.53 -3.29 119.26 121.75 2c57 h ALA 150 Ca 0.39 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 2c57 h ALA 150 Cb 0.12 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2c57 h ALA 150 CO -0.13 0.58 -0.24 0.35 0.00 0.00 0.00 179.25 179.80 2c57 h PHE 151 N 1.10 0.30 0.00 0.00 -0.00 -0.37 -1.58 116.94 116.39 2c57 h PHE 151 Ca 0.26 -0.14 0.00 0.00 -0.00 0.00 0.00 57.97 58.09 2c57 h PHE 151 Cb 0.14 -0.04 0.00 0.00 -0.00 0.00 0.00 35.95 36.05 2c57 h PHE 151 CO 0.01 0.88 0.00 1.04 -0.00 0.00 0.00 178.31 180.24 2c57 n GLN 152 N -4.52 0.11 -0.06 1.11 6.02 -0.59 -1.26 117.38 118.19 2c57 n GLN 152 Ca -0.09 0.54 -0.00 0.00 -0.01 0.00 0.00 57.00 57.44 2c57 n GLN 152 Cb 0.47 -1.81 -0.16 0.00 1.02 0.00 0.00 30.24 29.76 2c57 n GLN 152 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2c57 n GLU 153 N -2.03 0.67 0.24 -1.09 1.02 -1.20 -2.95 120.64 115.31 2c57 n GLU 153 Ca -0.00 -0.08 -0.15 0.00 -0.02 0.00 0.00 57.16 56.90 2c57 n GLU 153 Cb 0.07 -1.53 -0.08 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 1.46 -0.59 0.22 0.62 0.00 -0.21 -3.28 119.26 117.48 2c57 h ALA 154 Ca -0.29 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 2c57 h ALA 154 Cb 1.68 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.69 2c57 h ALA 154 CO 0.02 -0.75 -0.11 1.96 0.00 0.00 0.00 179.25 180.37 2c57 h GLN 155 N -0.74 -0.29 0.00 0.00 4.20 -1.39 -3.28 115.11 113.61 2c57 h GLN 155 Ca -0.06 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2c57 h GLN 155 Cb 0.53 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.37 2c57 h GLN 155 CO 0.10 -0.19 0.00 0.36 -0.67 0.00 0.00 178.83 178.43 2c57 n LYS 156 N -3.81 0.00 -0.06 1.46 2.85 -1.15 0.34 118.16 117.79 2c57 n LYS 156 Ca -0.04 0.00 -0.06 0.00 -1.05 0.00 0.00 58.31 57.17 2c57 n LYS 156 Cb 0.12 -1.26 -0.15 0.00 -0.65 0.00 0.00 35.03 33.09 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 -0.59 0.18 0.00 -5.58 4.13 -1.24 -5.01 115.26 107.17 2c57 n ASN 157 Ca 0.00 0.08 0.00 0.00 1.68 0.00 0.00 54.58 56.34 2c57 n ASN 157 Cb 0.00 0.95 0.00 0.00 -1.54 0.00 0.00 39.78 39.19 2c57 n ASN 157 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34