#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 4.23 -0.04 2.12 3.01 -1.23 -2.13 119.74 125.69 2c57 s LYS 2 Ca 0.00 0.01 0.07 0.00 -1.01 0.00 0.00 55.97 55.04 2c57 s LYS 2 Cb 0.00 -3.44 -0.02 0.00 -1.01 0.00 0.00 37.83 33.36 2c57 s LYS 2 CO 0.00 0.22 -0.24 0.42 0.51 0.00 0.00 175.35 176.25 2c57 s ILE 3 N 0.55 2.16 -0.21 2.17 -1.09 0.31 -1.10 121.20 123.98 2c57 s ILE 3 Ca 0.14 -1.05 -0.10 0.00 -2.23 0.00 0.00 60.65 57.42 2c57 s ILE 3 Cb -0.13 -1.77 -0.05 0.00 -1.58 0.00 0.00 42.46 38.93 2c57 s ILE 3 CO 0.03 0.58 0.13 -0.22 -1.23 0.00 0.00 174.94 174.22 2c57 s LEU 4 N -0.39 4.08 -0.26 2.97 2.96 0.21 -1.58 118.68 126.67 2c57 s LEU 4 Ca 0.03 0.15 -0.07 0.00 -0.22 0.00 0.00 54.13 54.02 2c57 s LEU 4 Cb -0.12 -2.07 -0.01 0.00 0.50 0.00 0.00 46.19 44.49 2c57 s LEU 4 CO 0.01 0.13 0.06 -0.69 -1.32 0.00 0.00 176.35 174.54 2c57 s VAL 5 N 0.65 4.06 -0.33 1.68 1.01 0.25 -0.06 120.40 127.66 2c57 s VAL 5 Ca 0.07 -0.39 -0.05 0.00 0.00 0.00 0.00 61.98 61.61 2c57 s VAL 5 Cb -0.12 -2.96 0.04 0.00 0.00 0.00 0.00 36.38 33.34 2c57 s VAL 5 CO 0.01 0.27 0.09 -0.63 0.00 0.00 0.00 175.10 174.83 2c57 s ILE 6 N 1.56 3.61 -0.19 2.22 1.01 0.13 -1.56 121.20 127.99 2c57 s ILE 6 Ca 0.05 -1.21 -0.13 0.00 0.00 0.00 0.00 60.65 59.36 2c57 s ILE 6 Cb -0.16 -3.06 -0.05 0.00 0.01 0.00 0.00 42.46 39.20 2c57 s ILE 6 CO 0.02 -0.18 0.26 -1.10 0.00 0.00 0.00 174.94 173.95 2c57 s GLN 7 N 1.36 4.21 0.00 2.79 -1.52 0.25 -0.51 119.66 126.25 2c57 s GLN 7 Ca -0.02 0.01 0.00 0.00 -1.95 0.00 0.00 55.36 53.40 2c57 s GLN 7 Cb -0.20 -3.46 0.00 0.00 -0.22 0.00 0.00 33.01 29.13 2c57 s GLN 7 CO 0.02 0.17 0.00 0.41 -0.25 0.00 0.00 175.29 175.64 2c57 n GLY 8 N 3.64 -0.13 3.68 3.09 0.00 -0.09 -1.25 105.19 114.12 2c57 n GLY 8 Ca -0.12 -1.77 -0.36 0.00 0.00 0.00 0.00 46.02 43.76 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 -0.50 0.74 0.00 1.61 -0.04 -0.75 -2.68 135.00 133.37 2c57 n PRO 9 Ca 0.00 0.31 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 2c57 n PRO 9 Cb 0.00 -2.40 0.00 0.00 -0.04 0.00 0.00 33.50 31.06 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 -2.03 0.00 -0.24 3.54 3.02 -1.26 -4.64 115.26 113.64 2c57 n ASN 10 Ca 0.15 0.00 0.27 0.00 -0.03 0.00 0.00 54.58 54.97 2c57 n ASN 10 Cb 0.49 -0.46 0.66 0.00 -0.61 0.00 0.00 39.78 39.86 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 0.14 -1.21 3.41 3.38 -1.87 0.91 115.31 120.07 2c57 h LEU 11 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 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 0.04 0.00 -0.55 0.09 0.00 0.00 178.44 178.02 2c57 h ASN 12 N 0.13 0.00 -0.24 -0.43 -1.07 -1.85 -3.06 115.58 109.07 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 1.70 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.95 2c57 h ASN 12 CO -0.08 0.00 0.00 0.23 0.07 0.00 0.00 177.43 177.65 2c57 n MET 13 N -2.40 1.63 -2.07 4.14 2.81 0.32 -4.69 117.12 116.86 2c57 n MET 13 Ca 0.00 -0.88 -0.42 0.00 -1.81 0.00 0.00 57.70 54.59 2c57 n MET 13 Cb 0.16 -1.25 -0.03 0.00 -0.71 0.00 0.00 33.22 31.39 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 -0.99 4.35 0.00 4.03 1.43 -1.16 -2.31 118.68 124.04 2c57 s LEU 14 Ca 0.16 2.37 0.00 0.00 -1.03 0.00 0.00 54.13 55.63 2c57 s LEU 14 Cb 0.09 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.74 2c57 s LEU 14 CO 0.10 -0.77 0.00 0.61 0.23 0.00 0.00 176.35 176.52 2c57 n GLY 15 N 3.74 1.58 0.13 -3.19 0.00 -1.20 -3.92 105.19 102.35 2c57 n GLY 15 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.18 0.24 0.00 1.61 1.44 -0.98 -4.94 115.22 112.42 2c57 n HIS 16 Ca 0.00 0.09 0.00 0.00 -2.01 0.00 0.00 57.72 55.80 2c57 n HIS 16 Cb 0.00 -1.03 0.00 0.00 0.12 0.00 0.00 29.99 29.08 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 -4.08 0.00 -0.66 -1.40 1.85 -0.98 -5.16 116.66 106.23 2c57 n ARG 17 Ca -0.48 0.58 -0.19 0.00 -1.00 0.00 0.00 57.85 56.76 2c57 n ARG 17 Cb 0.88 -1.43 0.10 0.00 -1.05 0.00 0.00 32.46 30.96 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 -0.95 -2.23 2.37 2.89 0.00 -1.26 -5.11 105.19 100.90 2c57 n GLY 23 Ca 0.00 -0.53 -0.21 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.34 2.20 -4.92 1.61 0.00 -1.26 -4.59 117.12 109.82 2c57 n MET 24 Ca 0.03 -1.35 -0.26 0.00 -0.00 0.00 0.00 57.70 56.12 2c57 n MET 24 Cb 0.36 -2.31 -0.15 0.00 0.00 0.00 0.00 33.22 31.12 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 2.46 1.50 0.48 1.12 1.01 -1.26 -4.89 120.40 120.82 2c57 s VAL 25 Ca 0.49 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.64 2c57 s VAL 25 Cb 0.17 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 35.29 2c57 s VAL 25 CO -0.03 0.43 0.74 0.42 0.00 0.00 0.00 175.10 176.66 2c57 s THR 26 N -0.43 4.22 0.27 3.92 -4.23 -1.25 -3.20 115.64 114.94 2c57 s THR 26 Ca 0.07 -0.21 -0.02 0.00 -1.18 0.00 0.00 61.69 60.34 2c57 s THR 26 Cb -0.08 -3.60 0.17 0.00 1.34 0.00 0.00 72.50 70.34 2c57 s THR 26 CO -0.01 -0.50 1.83 0.25 -0.54 0.00 0.00 174.62 175.65 2c57 h LEU 27 N 0.25 0.85 -0.48 4.79 5.85 -1.81 -1.87 115.31 122.88 2c57 h LEU 27 Ca -0.46 -0.13 0.07 0.00 0.84 0.00 0.00 57.88 58.20 2c57 h LEU 27 Cb 1.24 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.99 2c57 h LEU 27 CO 0.60 0.79 0.12 0.44 -0.34 0.00 0.00 178.44 180.05 2c57 h ASP 28 N 0.90 0.07 -0.06 1.25 3.32 -1.94 -0.80 116.42 119.15 2c57 h ASP 28 Ca 0.20 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.30 2c57 h ASP 28 Cb 0.24 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 2c57 h ASP 28 CO -0.01 0.07 -0.04 1.56 -1.72 0.00 0.00 179.24 179.10 2c57 h GLN 29 N 0.27 0.26 -0.31 3.56 4.20 -1.80 -0.41 115.11 120.88 2c57 h GLN 29 Ca 0.24 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.85 2c57 h GLN 29 Cb 0.29 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 2c57 h GLN 29 CO -0.28 0.32 -0.01 0.82 -0.67 0.00 0.00 178.83 179.00 2c57 h ILE 30 N 0.25 1.26 -0.28 2.54 2.04 -0.41 -0.90 117.51 122.03 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 0.24 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 2c57 h ILE 30 CO 0.01 0.32 0.17 0.45 0.00 0.00 0.00 178.15 179.09 2c57 h HIS 31 N 0.36 0.36 0.00 1.37 3.86 -0.59 -1.18 115.15 119.32 2c57 h HIS 31 Ca 0.09 -0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.24 2c57 h HIS 31 Cb 0.46 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.80 2c57 h HIS 31 CO 0.04 0.27 -0.28 1.05 0.86 0.00 0.00 177.93 179.86 2c57 h GLU 32 N 0.35 0.00 0.17 2.45 4.11 -1.05 -1.42 114.58 119.19 2c57 h GLU 32 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.53 2c57 h GLU 32 Cb 0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2c57 h GLU 32 CO -0.02 0.28 -0.16 0.82 0.07 0.00 0.00 179.01 180.01 2c57 h ILE 33 N 0.00 0.65 -0.33 -1.06 2.04 -0.30 0.78 117.51 119.30 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 0.55 0.65 -0.08 0.00 -0.74 0.00 0.00 36.82 37.20 2c57 h ILE 33 CO 0.04 0.00 -0.32 0.24 0.00 0.00 0.00 178.15 178.11 2c57 h MET 34 N -0.35 -0.27 -0.68 2.37 2.86 -0.31 0.33 114.93 118.87 2c57 h MET 34 Ca -0.00 0.02 0.09 0.00 -2.06 0.00 0.00 59.70 57.74 2c57 h MET 34 Cb 0.33 0.06 -0.11 0.00 0.06 0.00 0.00 31.60 31.94 2c57 h MET 34 CO -0.03 -0.18 -0.50 1.96 1.06 0.00 0.00 176.91 179.22 2c57 h GLN 35 N -0.28 -0.19 -0.98 1.72 7.50 -0.99 -0.27 115.11 121.62 2c57 h GLN 35 Ca 0.15 0.01 0.20 0.00 0.50 0.00 0.00 58.65 59.52 2c57 h GLN 35 Cb 0.53 0.04 -0.11 0.00 0.05 0.00 0.00 27.48 27.99 2c57 h GLN 35 CO -0.48 -0.12 0.57 1.15 -1.50 0.00 0.00 178.83 178.45 2c57 h THR 36 N -0.19 0.64 -0.61 -0.54 2.02 0.92 1.34 112.91 116.49 2c57 h THR 36 Ca 0.17 -0.23 -0.08 0.00 0.77 0.00 0.00 66.41 67.04 2c57 h THR 36 Cb 0.54 -0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.84 2c57 h THR 36 CO -0.76 0.12 0.06 0.15 0.37 0.00 0.00 175.52 175.47 2c57 h PHE 37 N 0.67 1.08 0.03 3.16 3.57 0.69 -1.38 116.94 124.77 2c57 h PHE 37 Ca 0.59 -0.16 -0.00 0.00 3.53 0.00 0.00 57.97 61.93 2c57 h PHE 37 Cb 0.99 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.43 2c57 h PHE 37 CO -0.02 0.93 -0.02 0.28 -2.23 0.00 0.00 178.31 177.25 2c57 h VAL 38 N 0.95 0.80 -0.72 1.41 2.07 0.22 0.62 116.25 121.59 2c57 h VAL 38 Ca 0.18 -1.52 0.21 0.00 0.82 0.00 0.00 66.70 66.40 2c57 h VAL 38 Cb 0.46 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 2c57 h VAL 38 CO 0.02 0.26 0.58 0.11 0.02 0.00 0.00 177.57 178.56 2c57 h LYS 39 N -0.98 0.00 0.00 1.57 6.56 0.15 -0.25 116.57 123.62 2c57 h LYS 39 Ca -0.00 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.54 2c57 h LYS 39 Cb 0.46 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.12 2c57 h LYS 39 CO 0.01 0.00 -0.75 0.94 -2.06 0.00 0.00 179.45 177.59 2c57 n GLN 40 N -4.09 0.48 0.00 3.15 0.00 -0.52 -4.32 117.38 112.09 2c57 n GLN 40 Ca 0.15 0.47 0.00 0.00 -0.00 0.00 0.00 57.00 57.62 2c57 n GLN 40 Cb 0.85 -1.65 0.00 0.00 0.00 0.00 0.00 30.24 29.44 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 1.56 0.00 2.44 1.69 0.00 0.22 -4.75 105.19 106.34 2c57 n GLY 41 Ca -0.13 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.89 -5.25 -4.74 1.61 2.85 -0.16 -4.95 115.26 103.73 2c57 n ASN 42 Ca 0.00 0.27 -0.40 0.00 -0.11 0.00 0.00 54.58 54.35 2c57 n ASN 42 Cb 0.00 -4.54 -0.05 0.00 1.24 0.00 0.00 39.78 36.43 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 -5.16 4.44 -0.93 1.20 1.43 -1.19 -4.98 118.68 113.48 2c57 s LEU 43 Ca 0.00 1.43 -0.24 0.00 -1.03 0.00 0.00 54.13 54.29 2c57 s LEU 43 Cb 0.00 -3.22 -0.02 0.00 0.03 0.00 0.00 46.19 42.98 2c57 s LEU 43 CO 0.00 0.00 1.78 -0.62 0.23 0.00 0.00 176.35 177.75 2c57 s ASP 44 N 0.01 5.57 -0.20 2.29 -1.08 -1.26 -4.83 116.67 117.18 2c57 s ASP 44 Ca 0.39 -0.88 -0.04 0.00 -0.52 0.00 0.00 52.55 51.49 2c57 s ASP 44 Cb -0.20 -2.56 0.09 0.00 -1.46 0.00 0.00 42.92 38.78 2c57 s ASP 44 CO 0.23 -2.35 0.19 -0.69 0.52 0.00 0.00 175.17 173.07 2c57 s VAL 45 N 8.44 -0.27 -0.21 1.11 1.01 -1.26 -3.78 120.40 125.44 2c57 s VAL 45 Ca 0.62 -0.14 -0.29 0.00 0.00 0.00 0.00 61.98 62.17 2c57 s VAL 45 Cb -0.05 -0.66 0.01 0.00 0.00 0.00 0.00 36.38 35.68 2c57 s VAL 45 CO -0.03 -0.23 1.03 -1.61 0.00 0.00 0.00 175.10 174.26 2c57 s GLU 46 N 2.28 4.28 0.08 2.72 8.01 -0.90 -4.94 118.70 130.22 2c57 s GLU 46 Ca 0.06 1.35 0.03 0.00 0.01 0.00 0.00 54.97 56.42 2c57 s GLU 46 Cb -0.16 -3.63 -0.04 0.00 -4.31 0.00 0.00 34.13 26.00 2c57 s GLU 46 CO -0.12 -0.58 0.07 -0.51 0.01 0.00 0.00 175.26 174.13 2c57 s LEU 47 N 3.02 3.78 -0.03 1.80 1.43 -1.26 0.11 118.68 127.54 2c57 s LEU 47 Ca 0.44 -0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.54 2c57 s LEU 47 Cb -0.15 -2.47 0.01 0.00 0.03 0.00 0.00 46.19 43.61 2c57 s LEU 47 CO 0.08 0.17 -0.08 -0.70 0.23 0.00 0.00 176.35 176.05 2c57 s GLU 48 N -2.38 0.92 -0.13 1.70 2.12 -0.61 -4.92 118.70 115.39 2c57 s GLU 48 Ca 0.29 -0.25 -0.04 0.00 0.36 0.00 0.00 54.97 55.33 2c57 s GLU 48 Cb -0.12 -0.86 -0.04 0.00 0.26 0.00 0.00 34.13 33.37 2c57 s GLU 48 CO 0.22 0.06 0.03 -0.06 -0.54 0.00 0.00 175.26 174.97 2c57 s PHE 49 N 0.37 3.21 -0.03 5.30 0.08 -1.26 -0.59 117.98 125.06 2c57 s PHE 49 Ca -0.06 0.10 -0.01 0.00 0.12 0.00 0.00 56.93 57.09 2c57 s PHE 49 Cb -0.10 -1.93 0.03 0.00 -0.57 0.00 0.00 43.02 40.46 2c57 s PHE 49 CO 0.01 0.31 0.06 0.12 -0.10 0.00 0.00 175.22 175.62 2c57 s PHE 50 N -0.28 -0.01 0.03 0.36 5.36 -0.60 -5.00 117.98 117.84 2c57 s PHE 50 Ca 0.07 0.23 0.08 0.00 -0.96 0.00 0.00 56.93 56.35 2c57 s PHE 50 Cb -0.12 -0.25 -0.02 0.00 -0.34 0.00 0.00 43.02 42.28 2c57 s PHE 50 CO 0.02 -0.13 -0.23 -1.14 -1.46 0.00 0.00 175.22 172.28 2c57 s GLN 51 N 1.33 1.64 -0.01 10.12 -0.44 -1.26 -0.58 119.66 130.46 2c57 s GLN 51 Ca -0.06 -0.96 -0.21 0.00 -2.50 0.00 0.00 55.36 51.62 2c57 s GLN 51 Cb -0.13 -1.73 0.04 0.00 -1.64 0.00 0.00 33.01 29.56 2c57 s GLN 51 CO -0.04 0.45 0.46 -0.08 0.50 0.00 0.00 175.29 176.59 2c57 s THR 52 N -0.73 0.04 -2.08 -0.34 -1.32 -0.38 -4.95 115.64 105.87 2c57 s THR 52 Ca 0.09 -0.31 0.18 0.00 -1.21 0.00 0.00 61.69 60.45 2c57 s THR 52 Cb -0.09 -0.84 0.48 0.00 -1.51 0.00 0.00 72.50 70.54 2c57 s THR 52 CO 0.01 -0.17 1.42 0.59 -2.21 0.00 0.00 174.62 174.26 2c57 n ASN 53 N 0.91 2.90 -4.48 8.08 3.02 -1.26 -1.81 115.26 122.62 2c57 n ASN 53 Ca -0.20 -1.97 -0.37 0.00 -0.03 0.00 0.00 54.58 52.01 2c57 n ASN 53 Cb 0.58 -0.33 -0.12 0.00 -0.61 0.00 0.00 39.78 39.29 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 -1.33 3.12 0.19 3.10 0.40 -1.26 -4.76 117.98 117.43 2c57 s PHE 54 Ca 0.37 -0.29 -0.16 0.00 -0.60 0.00 0.00 56.93 56.24 2c57 s PHE 54 Cb 0.19 -2.27 0.16 0.00 0.51 0.00 0.00 43.02 41.61 2c57 s PHE 54 CO 0.26 -0.31 1.64 1.49 0.70 0.00 0.00 175.22 179.00 2c57 h GLU 55 N 8.27 -0.03 -0.29 0.44 4.81 -2.00 -1.72 114.58 124.05 2c57 h GLU 55 Ca -0.38 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 58.86 2c57 h GLU 55 Cb 1.18 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 2c57 h GLU 55 CO 0.57 -0.02 0.20 0.78 -0.73 0.00 0.00 179.01 179.81 2c57 h GLY 56 N -0.03 0.40 2.00 1.92 0.00 -1.99 -2.03 103.07 103.33 2c57 h GLY 56 Ca 0.25 -0.15 -0.08 0.00 0.00 0.00 0.00 47.33 47.35 2c57 h GLY 56 CO -0.55 0.14 -0.37 0.83 0.00 0.00 0.00 176.54 176.59 2c57 h GLU 57 N 0.38 0.00 -0.02 4.80 5.08 -1.74 0.21 114.58 123.29 2c57 h GLU 57 Ca 0.11 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 2c57 h GLU 57 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2c57 h GLU 57 CO -0.02 0.37 -0.06 0.82 -1.00 0.00 0.00 179.01 179.12 2c57 h ILE 58 N 0.00 1.47 -0.21 3.13 2.04 -1.00 -1.82 117.51 121.11 2c57 h ILE 58 Ca -0.00 -1.46 0.05 0.00 1.00 0.00 0.00 64.86 64.44 2c57 h ILE 58 Cb 0.88 2.40 -0.05 0.00 -0.74 0.00 0.00 36.82 39.31 2c57 h ILE 58 CO 0.05 0.39 -0.09 0.40 0.00 0.00 0.00 178.15 178.90 2c57 h ILE 59 N -0.50 0.70 -0.64 -0.67 2.04 -1.21 -0.51 117.51 116.73 2c57 h ILE 59 Ca -0.00 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.96 2c57 h ILE 59 Cb 0.67 0.70 -0.07 0.00 -0.74 0.00 0.00 36.82 37.37 2c57 h ILE 59 CO 0.01 0.00 0.25 0.44 0.00 0.00 0.00 178.15 178.85 2c57 h ASP 60 N -0.06 0.26 -0.10 1.72 5.19 -0.63 -1.16 116.42 121.64 2c57 h ASP 60 Ca 0.11 0.08 -0.13 0.00 -0.62 0.00 0.00 57.03 56.47 2c57 h ASP 60 Cb 0.23 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.78 2c57 h ASP 60 CO -0.25 0.15 -0.35 0.50 -3.12 0.00 0.00 179.24 176.16 2c57 h LYS 61 N 0.44 0.61 -0.19 3.56 1.63 -0.25 -0.11 116.57 122.26 2c57 h LYS 61 Ca 0.32 -0.29 -0.05 0.00 -0.85 0.00 0.00 60.65 59.78 2c57 h LYS 61 Cb 0.40 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.02 2c57 h LYS 61 CO -0.31 0.87 -0.08 0.82 -3.45 0.00 0.00 179.45 177.31 2c57 h ILE 62 N 0.51 1.30 -0.70 2.00 2.04 -0.90 -2.04 117.51 119.72 2c57 h ILE 62 Ca 0.05 -1.11 0.10 0.00 1.00 0.00 0.00 64.86 64.91 2c57 h ILE 62 Cb 0.85 1.64 -0.05 0.00 -0.74 0.00 0.00 36.82 38.52 2c57 h ILE 62 CO 0.07 0.33 0.46 1.56 0.00 0.00 0.00 178.15 180.58 2c57 h GLN 63 N 0.09 0.53 0.00 2.37 4.20 -0.84 -0.48 115.11 120.97 2c57 h GLN 63 Ca 0.04 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.67 2c57 h GLN 63 Cb 0.55 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 2c57 h GLN 63 CO 0.03 0.35 -0.24 0.93 -0.67 0.00 0.00 178.83 179.22 2c57 h GLU 64 N 0.54 0.00 -0.79 1.46 5.08 -0.65 -3.24 114.58 116.99 2c57 h GLU 64 Ca 0.33 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.65 2c57 h GLU 64 Cb 0.54 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.76 2c57 h GLU 64 CO -0.11 0.24 0.34 0.66 -1.00 0.00 0.00 179.01 179.14 2c57 h SER 65 N 0.00 1.05 0.00 1.42 4.64 -0.36 -3.02 113.55 117.28 2c57 h SER 65 Ca -0.00 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 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 0.92 0.48 0.52 -0.87 0.00 0.00 176.83 177.91 2c57 n VAL 66 N -4.29 0.36 -3.19 0.95 0.31 -1.22 -4.31 118.33 106.94 2c57 n VAL 66 Ca 0.07 0.65 -0.39 0.00 -0.01 0.00 0.00 64.34 64.67 2c57 n VAL 66 Cb 0.17 -1.65 -0.05 0.00 -0.91 0.00 0.00 33.84 31.39 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 -2.57 2.52 0.00 2.92 0.00 -1.15 -5.03 107.32 104.02 2c57 s GLY 67 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 44.72 44.70 2c57 s GLY 67 CO 0.03 0.93 0.00 1.44 0.00 0.00 0.00 173.10 175.51 2c57 n SER 68 N 3.56 0.00 0.00 1.64 7.64 -1.26 -3.88 113.62 121.32 2c57 n SER 68 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.83 2c57 n SER 68 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 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 -4.66 6.43 3.85 -1.26 -4.45 116.55 116.46 2c57 n ASP 69 Ca 0.00 0.00 -0.38 0.00 -0.71 0.00 0.00 54.79 53.70 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 -1.11 3.35 -0.12 2.11 1.51 -1.25 -3.58 117.35 118.26 2c57 s TYR 70 Ca 0.00 0.52 0.22 0.00 -1.01 0.00 0.00 57.07 56.80 2c57 s TYR 70 Cb 0.00 -2.48 -0.28 0.00 -0.11 0.00 0.00 41.96 39.09 2c57 s TYR 70 CO 0.00 -0.02 0.59 0.39 -1.11 0.00 0.00 175.55 175.40 2c57 n GLU 71 N 4.55 0.61 -3.60 -0.62 1.02 -0.26 -4.94 120.64 117.40 2c57 n GLU 71 Ca -0.10 -0.14 -0.12 0.00 -0.02 0.00 0.00 57.16 56.79 2c57 n GLU 71 Cb 0.51 -1.56 -0.05 0.00 -0.02 0.00 0.00 31.44 30.32 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 -4.41 -0.34 -0.08 0.62 0.00 -1.26 -4.01 107.32 97.84 2c57 s GLY 72 Ca -0.06 0.20 0.03 0.00 0.00 0.00 0.00 44.72 44.88 2c57 s GLY 72 CO 0.89 -0.08 -0.15 -0.42 0.00 0.00 0.00 173.10 173.34 2c57 s ILE 73 N -3.31 1.36 -0.14 0.90 1.01 0.13 -0.62 121.20 120.52 2c57 s ILE 73 Ca -0.00 -0.60 -0.06 0.00 0.00 0.00 0.00 60.65 59.98 2c57 s ILE 73 Cb 0.01 -1.22 -0.04 0.00 0.01 0.00 0.00 42.46 41.21 2c57 s ILE 73 CO -0.09 0.41 0.07 -0.63 0.00 0.00 0.00 174.94 174.70 2c57 s ILE 74 N 0.64 4.89 -0.11 2.92 1.01 0.92 -0.83 121.20 130.64 2c57 s ILE 74 Ca -0.15 -0.01 -0.08 0.00 0.00 0.00 0.00 60.65 60.41 2c57 s ILE 74 Cb -0.16 -3.15 0.04 0.00 0.01 0.00 0.00 42.46 39.19 2c57 s ILE 74 CO 0.04 0.54 0.28 -0.51 0.00 0.00 0.00 174.94 175.29 2c57 s ILE 75 N -0.31 -0.01 -0.64 2.92 2.07 -0.19 -0.69 121.20 124.35 2c57 s ILE 75 Ca 0.09 0.05 0.01 0.00 -1.41 0.00 0.00 60.65 59.39 2c57 s ILE 75 Cb -0.12 -0.41 0.16 0.00 0.13 0.00 0.00 42.46 42.23 2c57 s ILE 75 CO 0.02 0.02 0.43 0.21 -1.91 0.00 0.00 174.94 173.71 2c57 s ASN 76 N 0.60 4.94 0.00 4.50 3.84 0.33 -0.91 114.94 128.25 2c57 s ASN 76 Ca -0.04 -3.22 0.03 0.00 0.21 0.00 0.00 52.86 49.85 2c57 s ASN 76 Cb -0.05 -1.75 0.17 0.00 -0.55 0.00 0.00 41.25 39.07 2c57 s ASN 76 CO -0.04 -0.24 0.93 -2.65 -2.79 0.00 0.00 177.10 172.31 2c57 n PRO 77 N 2.91 0.05 0.00 0.43 -0.02 -1.26 -0.92 135.00 136.19 2c57 n PRO 77 Ca 0.11 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 2c57 n PRO 77 Cb 0.35 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 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 -1.00 2.69 0.35 -1.23 0.00 -1.26 -1.73 105.19 103.01 2c57 n GLY 78 Ca 0.02 -0.30 0.18 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.75 1.65 0.00 4.61 0.00 -1.91 0.88 119.26 123.74 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 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2c57 h ALA 79 CO 0.00 -0.35 0.00 0.74 0.00 0.00 0.00 179.25 179.64 2c57 h PHE 80 N 0.00 0.00 -0.71 0.00 0.04 -1.74 -2.96 116.94 111.58 2c57 h PHE 80 Ca 0.08 0.00 0.12 0.00 2.80 0.00 0.00 57.97 60.96 2c57 h PHE 80 Cb 0.61 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 38.67 2c57 h PHE 80 CO 0.00 0.00 0.29 0.77 -0.60 0.00 0.00 178.31 178.77 2c57 h SER 81 N 0.00 0.30 1.61 2.17 0.02 -0.89 0.20 113.55 116.96 2c57 h SER 81 Ca 0.00 0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 2c57 h SER 81 Cb 0.47 0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.07 2c57 h SER 81 CO 0.00 0.14 -0.12 0.45 -1.14 0.00 0.00 176.83 176.16 2c57 h HIS 82 N 0.46 0.00 0.00 3.45 3.86 -1.72 -0.37 115.15 120.84 2c57 h HIS 82 Ca 0.37 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.58 2c57 h HIS 82 Cb 0.50 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.97 2c57 h HIS 82 CO -0.16 0.12 -0.61 0.25 0.86 0.00 0.00 177.93 178.39 2c57 n THR 83 N -3.15 0.00 -2.90 2.45 -2.24 -0.94 -4.49 114.28 103.00 2c57 n THR 83 Ca 0.03 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.37 2c57 n THR 83 Cb 0.52 -0.06 -0.02 0.00 -2.10 0.00 0.00 70.33 68.67 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 -1.62 6.72 0.34 3.42 0.15 0.64 -4.81 113.70 118.54 2c57 s SER 84 Ca 0.00 -2.21 0.06 0.00 0.70 0.00 0.00 55.95 54.50 2c57 s SER 84 Cb 0.00 -2.41 0.72 0.00 -1.71 0.00 0.00 66.02 62.62 2c57 s SER 84 CO 0.00 -1.03 1.91 0.40 1.20 0.00 0.00 173.24 175.72 2c57 h ILE 85 N 5.65 0.95 -0.04 6.45 2.04 -1.93 -2.79 117.51 127.84 2c57 h ILE 85 Ca 0.20 -0.27 0.03 0.00 1.00 0.00 0.00 64.86 65.82 2c57 h ILE 85 Cb 0.99 0.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 2c57 h ILE 85 CO 1.16 0.15 -0.17 0.00 0.00 0.00 0.00 178.15 179.29 2c57 h ALA 86 N 1.58 -0.18 0.00 1.87 0.00 -1.98 0.12 119.26 120.67 2c57 h ALA 86 Ca 0.39 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.29 2c57 h ALA 86 Cb 0.44 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 2c57 h ALA 86 CO -0.16 -0.65 -0.12 0.82 0.00 0.00 0.00 179.25 179.14 2c57 h ILE 87 N -0.26 0.68 0.01 0.00 2.04 -1.89 0.36 117.51 118.44 2c57 h ILE 87 Ca 0.07 -0.50 -0.10 0.00 1.00 0.00 0.00 64.86 65.33 2c57 h ILE 87 Cb 0.35 1.30 0.01 0.00 -0.74 0.00 0.00 36.82 37.74 2c57 h ILE 87 CO -0.19 0.12 -0.40 0.00 0.00 0.00 0.00 178.15 177.68 2c57 h ALA 88 N 1.88 0.04 -0.98 1.87 0.00 -1.17 -0.78 119.26 120.12 2c57 h ALA 88 Ca -0.00 -0.52 0.19 0.00 0.00 0.00 0.00 54.91 54.58 2c57 h ALA 88 Cb 0.30 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.02 2c57 h ALA 88 CO 0.02 0.19 0.61 -0.44 0.00 0.00 0.00 179.25 179.63 2c57 h ASP 89 N -0.37 0.69 0.10 0.00 5.19 -0.01 -0.86 116.42 121.15 2c57 h ASP 89 Ca -0.05 0.07 -0.00 0.00 -0.62 0.00 0.00 57.03 56.43 2c57 h ASP 89 Cb 1.15 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.61 2c57 h ASP 89 CO 0.08 0.27 -0.05 0.00 -3.12 0.00 0.00 179.24 176.42 2c57 h ALA 90 N 1.62 -0.13 -1.17 3.45 0.00 -0.82 -2.99 119.26 119.22 2c57 h ALA 90 Ca 0.54 -0.27 0.35 0.00 0.00 0.00 0.00 54.91 55.53 2c57 h ALA 90 Cb 0.94 0.05 -0.11 0.00 0.00 0.00 0.00 17.79 18.67 2c57 h ALA 90 CO -0.31 -0.25 0.76 0.82 0.00 0.00 0.00 179.25 180.27 2c57 h ILE 91 N -0.77 0.34 0.00 0.00 2.04 -0.74 0.55 117.51 118.92 2c57 h ILE 91 Ca -0.01 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 2c57 h ILE 91 Cb 0.57 0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 2c57 h ILE 91 CO 0.02 0.04 -0.08 0.24 0.00 0.00 0.00 178.15 178.38 2c57 h MET 92 N 0.23 0.00 -0.02 2.37 2.86 -1.01 -2.75 114.93 116.61 2c57 h MET 92 Ca 0.69 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.33 2c57 h MET 92 Cb 2.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.68 2c57 h MET 92 CO -0.34 0.08 -0.04 1.28 1.06 0.00 0.00 176.91 178.96 2c57 n LEU 93 N -3.17 2.21 0.05 1.22 4.77 0.14 -4.17 117.00 118.06 2c57 n LEU 93 Ca 0.01 -0.74 0.19 0.00 -0.03 0.00 0.00 56.01 55.45 2c57 n LEU 93 Cb 0.41 -0.01 0.71 0.00 -2.33 0.00 0.00 43.42 42.21 2c57 n LEU 93 CO 0.31 0.37 1.17 0.00 -1.33 0.00 0.00 177.39 177.91 2c57 h ALA 94 N 4.47 2.33 -6.43 -1.18 0.00 -1.13 -3.46 119.26 113.86 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 0.75 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2c57 h ALA 94 CO 0.00 -0.57 -0.92 0.41 0.00 0.00 0.00 179.25 178.18 2c57 n GLY 95 N -1.59 -0.54 0.00 0.00 0.00 -1.26 -4.79 105.19 97.01 2c57 n GLY 95 Ca 0.08 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 -4.37 0.00 -1.68 1.61 2.85 -1.26 -5.13 118.16 110.18 2c57 n LYS 96 Ca -0.22 0.00 -0.48 0.00 -1.05 0.00 0.00 58.31 56.56 2c57 n LYS 96 Cb 0.64 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 -0.35 2.19 -4.99 -1.58 -0.02 -1.26 -4.83 135.00 124.16 2c57 n PRO 97 Ca 0.00 0.80 -0.32 0.00 -2.02 0.00 0.00 63.50 61.95 2c57 n PRO 97 Cb 0.00 -2.63 -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 3.37 2.50 -0.18 -1.45 1.01 -1.26 -0.70 120.40 123.70 2c57 s VAL 98 Ca 0.90 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 62.02 2c57 s VAL 98 Cb -0.68 -2.01 0.01 0.00 0.00 0.00 0.00 36.38 33.70 2c57 s VAL 98 CO 0.48 0.54 -0.17 -0.63 0.00 0.00 0.00 175.10 175.32 2c57 s ILE 99 N 0.38 2.30 -0.05 2.22 1.01 -0.01 -2.68 121.20 124.37 2c57 s ILE 99 Ca -0.15 -0.86 -0.22 0.00 0.00 0.00 0.00 60.65 59.42 2c57 s ILE 99 Cb -0.17 -1.98 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 2c57 s ILE 99 CO 0.07 0.52 0.65 -0.70 0.00 0.00 0.00 174.94 175.48 2c57 s GLU 100 N 1.27 4.40 -0.04 2.79 2.12 -0.83 -1.02 118.70 127.38 2c57 s GLU 100 Ca 0.04 0.80 0.04 0.00 0.36 0.00 0.00 54.97 56.21 2c57 s GLU 100 Cb -0.13 -3.42 -0.03 0.00 0.26 0.00 0.00 34.13 30.81 2c57 s GLU 100 CO -0.10 0.16 -0.15 0.08 -0.54 0.00 0.00 175.26 174.71 2c57 s VAL 101 N 0.48 2.97 -0.02 3.70 1.01 -0.08 -0.62 120.40 127.84 2c57 s VAL 101 Ca 0.34 -0.79 0.04 0.00 0.00 0.00 0.00 61.98 61.58 2c57 s VAL 101 Cb -0.18 -2.16 -0.01 0.00 0.00 0.00 0.00 36.38 34.04 2c57 s VAL 101 CO 0.17 0.57 -0.14 -1.00 0.00 0.00 0.00 175.10 174.70 2c57 s HIS 102 N -0.74 1.29 0.00 5.22 3.76 0.15 -4.29 115.29 120.68 2c57 s HIS 102 Ca 0.12 -0.28 -0.25 0.00 -0.15 0.00 0.00 55.06 54.50 2c57 s HIS 102 Cb -0.11 -0.85 -0.18 0.00 1.11 0.00 0.00 32.58 32.55 2c57 s HIS 102 CO 0.01 -0.06 1.35 -0.07 -0.85 0.00 0.00 174.74 175.11 2c57 h LEU 103 N 5.98 0.07-10.66 0.89 3.38 -1.88 -2.50 115.31 110.59 2c57 h LEU 103 Ca -0.34 -0.42 -0.47 0.00 0.09 0.00 0.00 57.88 56.75 2c57 h LEU 103 Cb 1.16 -0.02 0.07 0.00 0.09 0.00 0.00 40.66 41.96 2c57 h LEU 103 CO 0.49 0.47 0.04 0.42 0.09 0.00 0.00 178.44 179.95 2c57 s THR 104 N -4.53 2.23 -0.60 0.22 -4.23 -1.26 -0.47 115.64 107.00 2c57 s THR 104 Ca -0.15 -0.68 -0.15 0.00 -1.18 0.00 0.00 61.69 59.53 2c57 s THR 104 Cb 0.03 -2.56 0.15 0.00 1.34 0.00 0.00 72.50 71.46 2c57 s THR 104 CO 0.69 0.00 0.56 0.21 -0.54 0.00 0.00 174.62 175.53 2c57 s ASN 105 N -4.67 6.31 0.46 3.99 3.84 -1.26 -0.72 114.94 122.88 2c57 s ASN 105 Ca 0.64 -1.99 0.31 0.00 0.21 0.00 0.00 52.86 52.03 2c57 s ASN 105 Cb -0.06 -2.21 1.35 0.00 -0.55 0.00 0.00 41.25 39.78 2c57 s ASN 105 CO 0.42 -0.79 1.92 0.16 -2.79 0.00 0.00 177.10 176.02 2c57 h ILE 106 N 5.65 0.00 -0.60 -5.21 3.07 -1.92 0.22 117.51 118.72 2c57 h ILE 106 Ca -0.21 -0.35 0.15 0.00 1.55 0.00 0.00 64.86 66.00 2c57 h ILE 106 Cb 1.09 1.25 -0.03 0.00 -0.27 0.00 0.00 36.82 38.85 2c57 h ILE 106 CO 0.97 0.00 0.42 1.56 -1.05 0.00 0.00 178.15 180.05 2c57 h GLN 107 N 0.00 0.12 -0.48 0.16 1.08 -1.84 -3.30 115.11 110.85 2c57 h GLN 107 Ca 0.00 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 2c57 h GLN 107 Cb 0.39 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 2c57 h GLN 107 CO 0.00 0.08 0.00 0.00 -0.95 0.00 0.00 178.83 177.96 2c57 n ALA 108 N -2.61 2.33 -2.84 3.87 0.00 0.78 -4.91 120.51 117.12 2c57 n ALA 108 Ca 0.11 -1.14 0.00 0.00 0.00 0.00 0.00 53.44 52.42 2c57 n ALA 108 Cb 0.59 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.33 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 1.17 3.76 -1.32 0.00 1.74 -1.24 -5.04 116.66 115.73 2c57 n ARG 109 Ca 0.18 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.95 2c57 n ARG 109 Cb 0.53 0.00 0.10 0.00 -1.02 0.00 0.00 32.46 32.07 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 2.96 1.98 0.18 5.56 8.01 -1.26 -4.90 118.70 131.23 2c57 s GLU 110 Ca 0.00 0.95 -0.20 0.00 0.01 0.00 0.00 54.97 55.73 2c57 s GLU 110 Cb 0.00 -1.88 0.12 0.00 -4.31 0.00 0.00 34.13 28.06 2c57 s GLU 110 CO 0.00 -1.78 1.60 1.49 0.01 0.00 0.00 175.26 176.58 2c57 h GLU 111 N -1.22 -0.16 0.00 1.61 4.57 -1.96 -1.18 114.58 116.25 2c57 h GLU 111 Ca -0.46 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 2c57 h GLU 111 Cb 1.25 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.88 2c57 h GLU 111 CO 0.54 -0.11 0.00 1.97 -1.18 0.00 0.00 179.01 180.24 2c57 n PHE 112 N -5.43 0.75 1.16 0.92 1.16 -1.26 -0.83 117.46 113.93 2c57 n PHE 112 Ca 0.04 0.38 0.12 0.00 -1.87 0.00 0.00 57.45 56.13 2c57 n PHE 112 Cb 0.35 -1.12 0.29 0.00 -1.61 0.00 0.00 39.48 37.39 2c57 n PHE 112 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 2c57 n ARG 113 N -2.27 0.71 0.25 3.97 1.74 -0.45 -4.64 116.66 115.98 2c57 n ARG 113 Ca -0.01 -0.45 -0.10 0.00 -0.77 0.00 0.00 57.85 56.51 2c57 n ARG 113 Cb 0.05 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 29.95 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 1.11 -0.63 -7.04 5.56 1.57 -1.04 -3.42 116.57 112.68 2c57 h LYS 114 Ca 0.00 0.04 -0.55 0.00 -1.87 0.00 0.00 60.65 58.27 2c57 h LYS 114 Cb 0.54 0.14 0.14 0.00 0.08 0.00 0.00 32.23 33.13 2c57 h LYS 114 CO 0.00 -0.42 0.64 1.21 -0.57 0.00 0.00 179.45 180.31 2c57 s ASN 115 N -3.56 5.37 -0.20 0.86 2.47 -1.26 -4.59 114.94 114.02 2c57 s ASN 115 Ca -0.10 2.83 0.01 0.00 0.42 0.00 0.00 52.86 56.03 2c57 s ASN 115 Cb 0.01 -2.64 0.04 0.00 -1.45 0.00 0.00 41.25 37.21 2c57 s ASN 115 CO 0.29 -1.51 -0.11 -0.55 -3.72 0.00 0.00 177.10 171.49 2c57 s SER 116 N -0.82 3.45 0.06 -4.21 0.15 -1.26 -4.36 113.70 106.72 2c57 s SER 116 Ca 0.69 -0.90 -0.27 0.00 0.70 0.00 0.00 55.95 56.17 2c57 s SER 116 Cb -0.42 -1.29 -0.17 0.00 -1.71 0.00 0.00 66.02 62.43 2c57 s SER 116 CO 0.51 -0.13 1.59 1.88 1.20 0.00 0.00 173.24 178.28 2c57 h TYR 117 N 7.95 -0.38 -0.84 3.44 0.05 -1.28 -2.85 116.97 123.05 2c57 h TYR 117 Ca -0.29 -0.01 0.13 0.00 0.05 0.00 0.00 58.73 58.61 2c57 h TYR 117 Cb 1.10 0.13 -0.06 0.00 1.01 0.00 0.00 36.73 38.90 2c57 h TYR 117 CO 0.51 -0.18 0.55 1.79 -1.05 0.00 0.00 178.16 179.78 2c57 h THR 118 N -0.50 0.86 -0.47 -2.88 1.35 -1.78 -2.17 112.91 107.33 2c57 h THR 118 Ca -0.04 -0.23 -0.08 0.00 -0.55 0.00 0.00 66.41 65.50 2c57 h THR 118 Cb 0.37 0.14 -0.02 0.00 -1.73 0.00 0.00 68.15 66.91 2c57 h THR 118 CO 0.07 0.12 -0.04 1.23 -0.25 0.00 0.00 175.52 176.65 2c57 h GLY 119 N 0.67 0.92 1.66 5.82 0.00 -1.82 -1.99 103.07 108.33 2c57 h GLY 119 Ca 0.41 -0.71 0.04 0.00 0.00 0.00 0.00 47.33 47.07 2c57 h GLY 119 CO -0.17 0.65 0.13 0.00 0.00 0.00 0.00 176.54 177.15 2c57 h ALA 120 N 0.90 1.83 0.20 3.60 0.00 -1.15 -2.47 119.26 122.17 2c57 h ALA 120 Ca 0.13 -0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.68 2c57 h ALA 120 Cb 0.56 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.37 2c57 h ALA 120 CO 0.03 -0.20 -1.70 0.00 0.00 0.00 0.00 179.25 177.38 2c57 h ALA 121 N 1.86 0.09 -3.01 0.00 0.00 -1.27 -3.44 119.26 113.50 2c57 h ALA 121 Ca 0.06 -1.08 -0.55 0.00 0.00 0.00 0.00 54.91 53.34 2c57 h ALA 121 Cb 0.33 0.40 0.15 0.00 0.00 0.00 0.00 17.79 18.67 2c57 h ALA 121 CO -0.00 0.96 0.50 0.00 0.00 0.00 0.00 179.25 180.70 2c57 h GLY 123 N 0.53 1.09 -3.69 0.00 0.00 -1.75 -3.46 103.07 95.78 2c57 h GLY 123 Ca -0.51 -0.30 0.06 0.00 0.00 0.00 0.00 47.33 46.58 2c57 h GLY 123 CO 0.53 0.15 0.43 -0.32 0.00 0.00 0.00 176.54 177.33 2c57 s GLY 124 N -3.62 -0.45 -0.04 4.60 0.00 -1.26 -5.08 107.32 101.47 2c57 s GLY 124 Ca -0.10 1.26 0.03 0.00 0.00 0.00 0.00 44.72 45.91 2c57 s GLY 124 CO 0.78 0.59 -0.11 0.14 0.00 0.00 0.00 173.10 174.51 2c57 s VAL 125 N -2.38 0.94 -0.12 1.40 1.01 -1.26 -1.97 120.40 118.01 2c57 s VAL 125 Ca 0.00 -0.42 -0.00 0.00 0.00 0.00 0.00 61.98 61.56 2c57 s VAL 125 Cb -0.01 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 2c57 s VAL 125 CO -0.04 0.30 -0.11 -0.63 0.00 0.00 0.00 175.10 174.61 2c57 s ILE 126 N 0.36 3.22 -0.12 2.22 1.01 0.21 -5.00 121.20 123.10 2c57 s ILE 126 Ca -0.07 -0.61 -0.15 0.00 0.00 0.00 0.00 60.65 59.82 2c57 s ILE 126 Cb -0.11 -2.35 0.04 0.00 0.01 0.00 0.00 42.46 40.04 2c57 s ILE 126 CO 0.01 0.53 0.40 0.00 0.00 0.00 0.00 174.94 175.89 2c57 s MET 127 N 0.18 0.55 0.00 2.79 0.23 -1.26 -0.68 119.30 121.12 2c57 s MET 127 Ca -0.06 0.38 0.00 0.00 -1.03 0.00 0.00 55.69 54.97 2c57 s MET 127 Cb -0.15 0.26 0.00 0.00 -1.53 0.00 0.00 34.83 33.41 2c57 s MET 127 CO 0.05 -0.10 0.00 0.41 -2.03 0.00 0.00 175.02 173.34 2c57 n GLY 128 N 2.39 0.64 0.56 3.16 0.00 0.10 -4.72 105.19 107.33 2c57 n GLY 128 Ca -0.15 -0.76 0.07 0.00 0.00 0.00 0.00 46.02 45.17 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 -3.07 0.07 -4.27 1.61 3.01 -0.78 -4.72 117.46 109.32 2c57 n PHE 129 Ca 0.00 -0.07 0.00 0.00 1.01 0.00 0.00 57.45 58.39 2c57 n PHE 129 Cb 0.21 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.68 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 0.75 1.00 0.26 1.37 0.00 0.38 -3.52 105.19 105.43 2c57 n GLY 130 Ca 0.09 -0.61 -0.02 0.00 0.00 0.00 0.00 46.02 45.47 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 0.53 -1.44 1.61 0.11 -1.92 -1.86 132.00 129.03 2c57 h PRO 131 Ca 0.00 -0.15 0.48 0.00 0.11 0.00 0.00 66.00 66.45 2c57 h PRO 131 Cb 0.00 -0.06 -0.13 0.00 0.11 0.00 0.00 31.00 30.92 2c57 h PRO 131 CO 0.00 0.63 0.94 1.25 -0.21 0.00 0.00 178.00 180.61 2c57 h LEU 132 N 0.50 0.18 -1.95 2.35 5.85 -1.98 0.71 115.31 120.97 2c57 h LEU 132 Ca 0.09 0.14 0.10 0.00 0.84 0.00 0.00 57.88 59.05 2c57 h LEU 132 Cb 0.47 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 2c57 h LEU 132 CO 0.03 -0.23 0.27 1.23 -0.34 0.00 0.00 178.44 179.39 2c57 h GLY 133 N 0.01 0.09 0.65 3.75 0.00 -1.50 0.65 103.07 106.72 2c57 h GLY 133 Ca 0.88 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 48.18 2c57 h GLY 133 CO -0.42 0.02 -0.01 -0.97 0.00 0.00 0.00 176.54 175.16 2c57 h TYR 134 N 0.06 0.05 -0.53 5.60 -1.99 0.24 0.15 116.97 120.54 2c57 h TYR 134 Ca 0.18 -0.01 0.04 0.00 2.00 0.00 0.00 58.73 60.93 2c57 h TYR 134 Cb 0.62 -0.01 -0.04 0.00 2.00 0.00 0.00 36.73 39.30 2c57 h TYR 134 CO -0.00 0.41 0.29 -0.91 -0.00 0.00 0.00 178.16 177.95 2c57 h ASN 135 N -0.32 0.44 -0.98 3.88 2.35 -1.31 0.13 115.58 119.77 2c57 h ASN 135 Ca 0.01 0.02 0.26 0.00 -0.55 0.00 0.00 56.30 56.03 2c57 h ASN 135 Cb 0.39 -0.07 -0.13 0.00 0.05 0.00 0.00 38.32 38.56 2c57 h ASN 135 CO 0.00 0.31 0.55 0.24 -1.65 0.00 0.00 177.43 176.88 2c57 h MET 136 N 0.57 0.47 -0.03 0.81 2.86 -0.69 0.17 114.93 119.09 2c57 h MET 136 Ca 0.23 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.83 2c57 h MET 136 Cb 0.10 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.65 2c57 h MET 136 CO -0.14 0.31 -0.03 0.00 1.06 0.00 0.00 176.91 178.11 2c57 h ALA 137 N 1.76 0.05 -0.66 6.32 0.00 0.13 -1.89 119.26 124.97 2c57 h ALA 137 Ca 0.65 -0.26 0.13 0.00 0.00 0.00 0.00 54.91 55.43 2c57 h ALA 137 Cb 1.30 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.95 2c57 h ALA 137 CO -0.52 -0.18 -0.18 -0.07 0.00 0.00 0.00 179.25 178.30 2c57 h LEU 138 N -0.37 -0.67 -0.71 0.00 3.38 -0.60 0.18 115.31 116.52 2c57 h LEU 138 Ca 0.01 0.20 0.12 0.00 0.09 0.00 0.00 57.88 58.30 2c57 h LEU 138 Cb 0.52 0.43 -0.08 0.00 0.09 0.00 0.00 40.66 41.61 2c57 h LEU 138 CO 0.01 -0.23 0.30 -0.03 0.09 0.00 0.00 178.44 178.58 2c57 h MET 139 N -0.02 0.47 0.01 1.13 4.05 -0.41 -0.87 114.93 119.29 2c57 h MET 139 Ca 0.31 -0.03 -0.05 0.00 -0.28 0.00 0.00 59.70 59.65 2c57 h MET 139 Cb 0.49 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.19 2c57 h MET 139 CO -0.68 0.31 -0.20 0.00 0.23 0.00 0.00 176.91 176.56 2c57 h ALA 140 N 1.49 0.02 -0.38 0.39 0.00 -0.41 -2.99 119.26 117.37 2c57 h ALA 140 Ca 0.37 -0.47 0.08 0.00 0.00 0.00 0.00 54.91 54.90 2c57 h ALA 140 Cb 0.50 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.22 2c57 h ALA 140 CO -0.35 0.05 -0.34 1.98 0.00 0.00 0.00 179.25 180.60 2c57 h MET 141 N -0.60 -0.26 -0.83 0.00 -1.53 -0.28 0.20 114.93 111.63 2c57 h MET 141 Ca -0.03 0.02 0.17 0.00 -3.44 0.00 0.00 59.70 56.42 2c57 h MET 141 Cb 0.99 0.06 -0.16 0.00 -0.55 0.00 0.00 31.60 31.94 2c57 h MET 141 CO 0.04 -0.17 -0.17 0.28 0.14 0.00 0.00 176.91 177.03 2c57 h VAL 142 N -0.27 0.18 -0.38 -5.77 2.07 -1.25 -0.69 116.25 110.14 2c57 h VAL 142 Ca 0.16 -0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.66 2c57 h VAL 142 Cb 0.54 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 2c57 h VAL 142 CO -0.53 0.00 0.17 0.78 0.02 0.00 0.00 177.57 178.01 2c57 h ASN 143 N 0.01 0.51 -0.36 0.57 2.35 -0.52 -1.64 115.58 116.51 2c57 h ASN 143 Ca 0.41 -0.15 -0.12 0.00 -0.55 0.00 0.00 56.30 55.90 2c57 h ASN 143 Cb 0.66 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 2c57 h ASN 143 CO -0.83 0.52 -0.23 0.40 -1.65 0.00 0.00 177.43 175.63 2c57 h ILE 144 N 0.47 1.29 -0.59 2.81 2.04 -0.05 -1.18 117.51 122.31 2c57 h ILE 144 Ca 0.13 -1.37 -0.07 0.00 1.00 0.00 0.00 64.86 64.55 2c57 h ILE 144 Cb 0.15 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 2c57 h ILE 144 CO -0.01 0.45 0.10 -0.07 0.00 0.00 0.00 178.15 178.62 2c57 h LEU 145 N 0.58 0.89 -0.63 1.44 3.38 -1.20 0.16 115.31 119.92 2c57 h LEU 145 Ca 0.07 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2c57 h LEU 145 Cb 0.79 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 2c57 h LEU 145 CO 0.06 0.89 0.40 0.00 0.09 0.00 0.00 178.44 179.89 2c57 h ALA 146 N 1.22 0.81 0.09 1.53 0.00 -1.01 -2.32 119.26 119.58 2c57 h ALA 146 Ca 0.18 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2c57 h ALA 146 Cb 0.38 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2c57 h ALA 146 CO 0.01 0.26 -0.05 1.49 0.00 0.00 0.00 179.25 180.96 2c57 h GLU 147 N 0.86 -0.12 -0.89 0.00 4.81 -0.27 -1.92 114.58 117.05 2c57 h GLU 147 Ca 0.23 0.01 0.14 0.00 -0.13 0.00 0.00 59.36 59.60 2c57 h GLU 147 Cb -0.06 0.03 -0.15 0.00 0.63 0.00 0.00 28.75 29.20 2c57 h GLU 147 CO -0.05 0.40 -0.39 0.52 -0.73 0.00 0.00 179.01 178.77 2c57 h MET 148 N -0.82 -0.04 -0.72 1.92 2.86 -0.82 -1.31 114.93 116.00 2c57 h MET 148 Ca -0.01 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.66 2c57 h MET 148 Cb 0.58 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.21 2c57 h MET 148 CO 0.02 -0.03 0.47 0.87 1.06 0.00 0.00 176.91 179.30 2c57 h LYS 149 N -0.05 0.84 -0.63 1.72 1.57 -1.35 -0.96 116.57 117.70 2c57 h LYS 149 Ca 0.30 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.95 2c57 h LYS 149 Cb 0.58 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 2c57 h LYS 149 CO -0.91 0.55 0.06 0.00 -0.57 0.00 0.00 179.45 178.59 2c57 h ALA 150 N 1.58 0.85 -0.08 3.86 0.00 -0.50 -3.31 119.26 121.67 2c57 h ALA 150 Ca 0.29 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2c57 h ALA 150 Cb 0.07 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2c57 h ALA 150 CO -0.08 0.65 -0.35 0.35 0.00 0.00 0.00 179.25 179.82 2c57 h PHE 151 N 0.99 0.50 0.00 0.00 3.04 -0.13 -1.51 116.94 119.83 2c57 h PHE 151 Ca 0.19 -0.22 0.00 0.00 3.98 0.00 0.00 57.97 61.92 2c57 h PHE 151 Cb 0.49 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 38.92 2c57 h PHE 151 CO 0.04 0.96 0.00 1.04 -2.02 0.00 0.00 178.31 178.33 2c57 n GLN 152 N -4.39 0.06 -0.06 1.11 6.02 -0.66 -1.24 117.38 118.23 2c57 n GLN 152 Ca -0.08 0.39 -0.01 0.00 -0.01 0.00 0.00 57.00 57.28 2c57 n GLN 152 Cb 0.52 -1.64 -0.16 0.00 1.02 0.00 0.00 30.24 29.97 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 -1.77 0.67 0.12 -1.09 1.02 -1.20 -2.93 120.64 115.47 2c57 n GLU 153 Ca 0.02 -0.07 -0.14 0.00 -0.02 0.00 0.00 57.16 56.95 2c57 n GLU 153 Cb 0.14 -1.54 -0.08 0.00 -0.02 0.00 0.00 31.44 29.94 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 1.41 -0.27 0.10 0.62 0.00 -0.23 -3.28 119.26 117.61 2c57 h ALA 154 Ca -0.31 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 2c57 h ALA 154 Cb 1.73 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.62 2c57 h ALA 154 CO 0.02 -0.57 -0.05 1.96 0.00 0.00 0.00 179.25 180.61 2c57 h GLN 155 N -0.45 -0.13 0.00 0.00 4.20 -1.38 -3.28 115.11 114.08 2c57 h GLN 155 Ca -0.03 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2c57 h GLN 155 Cb 0.34 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.15 2c57 h GLN 155 CO 0.05 -0.09 0.00 0.36 -0.67 0.00 0.00 178.83 178.48 2c57 n LYS 156 N -4.02 0.00 -0.07 1.46 2.85 -1.15 0.38 118.16 117.61 2c57 n LYS 156 Ca -0.02 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.21 2c57 n LYS 156 Cb 0.05 -1.18 -0.16 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 -0.53 0.01 0.00 -5.58 4.13 -1.24 -5.00 115.26 107.05 2c57 n ASN 157 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 2c57 n ASN 157 Cb 0.00 1.30 0.00 0.00 -1.54 0.00 0.00 39.78 39.54 2c57 n ASN 157 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34