#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 4.20 -0.08 2.12 3.01 -1.24 -2.05 119.74 125.70 2c57 s LYS 2 Ca 0.00 -0.00 0.03 0.00 -1.01 0.00 0.00 55.97 54.99 2c57 s LYS 2 Cb 0.00 -3.47 -0.02 0.00 -1.01 0.00 0.00 37.83 33.33 2c57 s LYS 2 CO 0.00 0.15 -0.18 0.42 0.51 0.00 0.00 175.35 176.26 2c57 s ILE 3 N 0.74 2.69 -0.15 2.17 -1.09 0.17 -0.79 121.20 124.94 2c57 s ILE 3 Ca 0.14 -0.83 -0.14 0.00 -2.23 0.00 0.00 60.65 57.59 2c57 s ILE 3 Cb -0.13 -2.05 -0.05 0.00 -1.58 0.00 0.00 42.46 38.65 2c57 s ILE 3 CO 0.04 0.56 0.31 -0.22 -1.23 0.00 0.00 174.94 174.40 2c57 s LEU 4 N -0.18 4.26 -0.26 2.97 2.96 0.00 -1.59 118.68 126.85 2c57 s LEU 4 Ca -0.01 0.55 -0.06 0.00 -0.22 0.00 0.00 54.13 54.38 2c57 s LEU 4 Cb -0.14 -2.40 -0.01 0.00 0.50 0.00 0.00 46.19 44.15 2c57 s LEU 4 CO 0.03 0.11 0.05 -0.69 -1.32 0.00 0.00 176.35 174.53 2c57 s VAL 5 N 0.36 3.93 -0.30 1.68 1.01 0.27 0.34 120.40 127.69 2c57 s VAL 5 Ca 0.17 -0.48 -0.05 0.00 0.00 0.00 0.00 61.98 61.62 2c57 s VAL 5 Cb -0.13 -2.91 0.02 0.00 0.00 0.00 0.00 36.38 33.36 2c57 s VAL 5 CO 0.05 0.24 0.05 -0.63 0.00 0.00 0.00 175.10 174.81 2c57 s ILE 6 N 1.53 3.61 -0.17 2.22 1.01 0.13 -1.37 121.20 128.16 2c57 s ILE 6 Ca 0.05 -0.95 -0.07 0.00 0.00 0.00 0.00 60.65 59.67 2c57 s ILE 6 Cb -0.16 -2.93 -0.04 0.00 0.01 0.00 0.00 42.46 39.34 2c57 s ILE 6 CO 0.01 0.01 0.08 -1.10 0.00 0.00 0.00 174.94 173.94 2c57 s GLN 7 N 1.41 3.90 0.00 2.79 -1.52 0.36 -0.87 119.66 125.74 2c57 s GLN 7 Ca 0.00 -0.30 0.00 0.00 -1.95 0.00 0.00 55.36 53.11 2c57 s GLN 7 Cb -0.18 -3.22 0.00 0.00 -0.22 0.00 0.00 33.01 29.39 2c57 s GLN 7 CO 0.01 0.35 0.00 0.41 -0.25 0.00 0.00 175.29 175.81 2c57 n GLY 8 N 3.29 -0.14 3.73 3.09 0.00 -0.19 -1.58 105.19 113.40 2c57 n GLY 8 Ca -0.17 -1.79 -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 -1.54 2.46 0.00 1.61 0.04 -0.79 -2.48 135.00 134.31 2c57 s PRO 9 Ca 0.00 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.01 2c57 s PRO 9 Cb 0.00 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.69 2c57 s PRO 9 CO 0.00 -1.64 0.00 0.09 0.04 0.00 0.00 177.00 175.49 2c57 n ASN 10 N -2.10 0.00 -0.12 6.66 3.02 -1.26 -4.65 115.26 116.80 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 -0.29 0.72 0.00 -0.61 0.00 0.00 39.78 40.09 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 -1.09 3.41 3.38 -1.84 0.64 115.31 119.81 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 -0.29 -0.43 -1.07 -1.86 -3.10 115.58 108.83 2c57 h ASN 12 Ca 0.38 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.75 2c57 h ASN 12 Cb 1.60 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.85 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 -2.40 1.82 -2.14 4.14 2.81 0.22 -4.68 117.12 116.90 2c57 n MET 13 Ca 0.01 -1.11 -0.42 0.00 -1.81 0.00 0.00 57.70 54.37 2c57 n MET 13 Cb 0.19 -1.32 -0.03 0.00 -0.71 0.00 0.00 33.22 31.35 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 -1.02 4.37 0.00 4.03 1.43 -1.17 -2.22 118.68 124.10 2c57 s LEU 14 Ca 0.20 2.36 0.00 0.00 -1.03 0.00 0.00 54.13 55.67 2c57 s LEU 14 Cb 0.11 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.75 2c57 s LEU 14 CO 0.13 -0.68 0.00 0.61 0.23 0.00 0.00 176.35 176.64 2c57 n GLY 15 N 3.54 2.40 0.13 -3.19 0.00 -1.16 -3.88 105.19 103.02 2c57 n GLY 15 Ca 0.12 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 -0.59 0.23 0.00 1.61 1.44 -0.98 -4.94 115.22 111.99 2c57 n HIS 16 Ca 0.00 0.07 0.00 0.00 -2.01 0.00 0.00 57.72 55.78 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 -3.68 0.00 -0.65 -1.40 1.85 -0.94 -5.17 116.66 106.67 2c57 n ARG 17 Ca -0.46 0.53 -0.16 0.00 -1.00 0.00 0.00 57.85 56.77 2c57 n ARG 17 Cb 0.94 -1.49 0.09 0.00 -1.05 0.00 0.00 32.46 30.95 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 -0.99 -2.11 2.38 2.89 0.00 -1.26 -5.12 105.19 100.99 2c57 n GLY 23 Ca 0.00 -0.50 -0.26 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.24 2.66 -4.82 1.61 0.00 -1.26 -4.56 117.12 110.51 2c57 n MET 24 Ca 0.03 -1.63 -0.25 0.00 -0.00 0.00 0.00 57.70 55.85 2c57 n MET 24 Cb 0.31 -2.48 -0.15 0.00 0.00 0.00 0.00 33.22 30.89 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 2.49 1.36 0.50 1.12 1.01 -1.26 -4.89 120.40 120.72 2c57 s VAL 25 Ca 0.55 -0.72 -0.04 0.00 0.00 0.00 0.00 61.98 61.77 2c57 s VAL 25 Cb 0.16 -1.14 -0.02 0.00 0.00 0.00 0.00 36.38 35.39 2c57 s VAL 25 CO -0.04 0.39 0.78 0.42 0.00 0.00 0.00 175.10 176.65 2c57 s THR 26 N -0.31 4.38 0.24 3.92 -4.23 -1.25 -3.00 115.64 115.39 2c57 s THR 26 Ca 0.04 -0.04 -0.05 0.00 -1.18 0.00 0.00 61.69 60.46 2c57 s THR 26 Cb -0.08 -3.67 0.19 0.00 1.34 0.00 0.00 72.50 70.28 2c57 s THR 26 CO -0.00 -0.62 1.84 0.25 -0.54 0.00 0.00 174.62 175.55 2c57 h LEU 27 N 0.17 1.03 -0.39 4.79 5.85 -1.81 -1.95 115.31 123.01 2c57 h LEU 27 Ca -0.47 -0.13 0.08 0.00 0.84 0.00 0.00 57.88 58.21 2c57 h LEU 27 Cb 1.23 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 41.92 2c57 h LEU 27 CO 0.61 0.88 -0.10 0.44 -0.34 0.00 0.00 178.44 179.92 2c57 h ASP 28 N 1.12 -0.37 -0.19 1.25 3.32 -1.94 -0.84 116.42 118.76 2c57 h ASP 28 Ca 0.27 0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.43 2c57 h ASP 28 Cb 0.13 0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 2c57 h ASP 28 CO -0.03 -0.13 0.11 1.56 -1.72 0.00 0.00 179.24 179.02 2c57 h GLN 29 N -0.01 0.29 -0.35 3.56 4.20 -1.80 -0.04 115.11 120.96 2c57 h GLN 29 Ca 0.19 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.84 2c57 h GLN 29 Cb 0.29 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 2c57 h GLN 29 CO -0.40 0.22 0.09 0.82 -0.67 0.00 0.00 178.83 178.90 2c57 h ILE 30 N 0.30 1.22 -0.44 2.54 2.04 -0.46 -0.95 117.51 121.76 2c57 h ILE 30 Ca 0.08 -0.74 -0.02 0.00 1.00 0.00 0.00 64.86 65.18 2c57 h ILE 30 Cb 0.03 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 2c57 h ILE 30 CO -0.01 0.25 0.19 0.45 0.00 0.00 0.00 178.15 179.02 2c57 h HIS 31 N 0.42 0.65 0.00 1.37 3.86 -0.31 -1.19 115.15 119.95 2c57 h HIS 31 Ca 0.11 -0.04 -0.07 0.00 -1.16 0.00 0.00 60.37 59.21 2c57 h HIS 31 Cb 0.29 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.55 2c57 h HIS 31 CO 0.01 0.56 -0.31 1.05 0.86 0.00 0.00 177.93 180.10 2c57 h GLU 32 N 0.56 0.00 0.01 2.45 4.11 -1.00 -1.04 114.58 119.67 2c57 h GLU 32 Ca 0.15 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.58 2c57 h GLU 32 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2c57 h GLU 32 CO -0.01 0.31 -0.00 0.82 0.07 0.00 0.00 179.01 180.19 2c57 h ILE 33 N 0.00 1.03 -0.06 -1.06 2.04 -0.19 -0.01 117.51 119.26 2c57 h ILE 33 Ca -0.00 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.77 2c57 h ILE 33 Cb 0.69 1.11 -0.05 0.00 -0.74 0.00 0.00 36.82 37.83 2c57 h ILE 33 CO 0.04 0.03 -0.29 0.24 0.00 0.00 0.00 178.15 178.17 2c57 h MET 34 N -0.07 -0.39 -0.84 2.37 2.86 -0.38 0.22 114.93 118.71 2c57 h MET 34 Ca -0.00 0.03 0.11 0.00 -2.06 0.00 0.00 59.70 57.77 2c57 h MET 34 Cb 0.06 0.09 -0.13 0.00 0.06 0.00 0.00 31.60 31.68 2c57 h MET 34 CO 0.00 -0.26 -0.48 1.96 1.06 0.00 0.00 176.91 179.19 2c57 h GLN 35 N -0.40 -0.09 -0.85 1.72 7.50 -0.97 0.04 115.11 122.06 2c57 h GLN 35 Ca 0.08 0.01 0.18 0.00 0.50 0.00 0.00 58.65 59.41 2c57 h GLN 35 Cb 0.52 0.02 -0.11 0.00 0.05 0.00 0.00 27.48 27.96 2c57 h GLN 35 CO -0.29 -0.06 0.39 1.15 -1.50 0.00 0.00 178.83 178.52 2c57 h THR 36 N -0.09 0.59 -0.65 -0.54 2.02 0.31 1.49 112.91 116.03 2c57 h THR 36 Ca 0.21 -0.17 -0.05 0.00 0.77 0.00 0.00 66.41 67.18 2c57 h THR 36 Cb 0.52 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 2c57 h THR 36 CO -0.86 0.09 0.23 0.15 0.37 0.00 0.00 175.52 175.50 2c57 h PHE 37 N 0.48 1.00 0.00 3.16 3.57 0.87 -1.30 116.94 124.72 2c57 h PHE 37 Ca 0.50 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.91 2c57 h PHE 37 Cb 0.84 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 39.28 2c57 h PHE 37 CO -0.13 0.79 -0.08 0.28 -2.23 0.00 0.00 178.31 176.94 2c57 h VAL 38 N 0.96 0.97 -0.91 1.41 2.07 0.29 0.62 116.25 121.65 2c57 h VAL 38 Ca 0.22 -1.75 0.26 0.00 0.82 0.00 0.00 66.70 66.25 2c57 h VAL 38 Cb 0.24 1.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.83 2c57 h VAL 38 CO -0.01 0.33 0.68 0.11 0.02 0.00 0.00 177.57 178.69 2c57 h LYS 39 N -1.00 0.00 0.00 1.57 6.56 0.19 -0.11 116.57 123.77 2c57 h LYS 39 Ca -0.02 0.00 -0.08 0.00 -1.06 0.00 0.00 60.65 59.49 2c57 h LYS 39 Cb 0.60 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.24 2c57 h LYS 39 CO -0.01 0.00 -0.89 0.94 -2.06 0.00 0.00 179.45 177.44 2c57 n GLN 40 N -4.20 0.50 0.00 3.15 0.00 -0.49 -4.30 117.38 112.04 2c57 n GLN 40 Ca 0.19 0.48 0.00 0.00 -0.00 0.00 0.00 57.00 57.67 2c57 n GLN 40 Cb 1.00 -1.66 0.00 0.00 0.00 0.00 0.00 30.24 29.58 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 1.53 -0.09 2.45 1.69 0.00 0.22 -4.74 105.19 106.24 2c57 n GLY 41 Ca -0.17 0.00 -0.19 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 -1.03 -5.23 -4.73 1.61 2.85 -0.12 -4.95 115.26 103.66 2c57 n ASN 42 Ca 0.00 0.31 -0.40 0.00 -0.11 0.00 0.00 54.58 54.38 2c57 n ASN 42 Cb 0.02 -4.55 -0.05 0.00 1.24 0.00 0.00 39.78 36.44 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 -5.06 4.39 -0.94 1.20 1.43 -1.18 -4.97 118.68 113.55 2c57 s LEU 43 Ca 0.00 1.38 -0.24 0.00 -1.03 0.00 0.00 54.13 54.24 2c57 s LEU 43 Cb 0.00 -3.22 -0.06 0.00 0.03 0.00 0.00 46.19 42.95 2c57 s LEU 43 CO 0.00 -0.06 1.96 -0.62 0.23 0.00 0.00 176.35 177.86 2c57 s ASP 44 N 0.36 5.08 -0.15 2.29 -1.08 -1.26 -4.83 116.67 117.08 2c57 s ASP 44 Ca 0.40 -0.80 -0.04 0.00 -0.52 0.00 0.00 52.55 51.59 2c57 s ASP 44 Cb -0.20 -2.56 0.07 0.00 -1.46 0.00 0.00 42.92 38.77 2c57 s ASP 44 CO 0.22 -2.83 0.14 -0.69 0.52 0.00 0.00 175.17 172.53 2c57 s VAL 45 N 10.38 -0.20 -0.23 1.11 1.01 -1.26 -3.76 120.40 127.46 2c57 s VAL 45 Ca 0.71 0.00 -0.25 0.00 0.00 0.00 0.00 61.98 62.43 2c57 s VAL 45 Cb -0.06 -0.52 -0.00 0.00 0.00 0.00 0.00 36.38 35.80 2c57 s VAL 45 CO 0.02 -0.14 0.86 -1.61 0.00 0.00 0.00 175.10 174.23 2c57 s GLU 46 N 2.23 4.21 0.02 2.72 8.01 -0.87 -4.95 118.70 130.07 2c57 s GLU 46 Ca 0.04 1.02 0.01 0.00 0.01 0.00 0.00 54.97 56.05 2c57 s GLU 46 Cb -0.15 -3.63 -0.04 0.00 -4.31 0.00 0.00 34.13 26.00 2c57 s GLU 46 CO -0.09 -0.51 0.04 -0.51 0.01 0.00 0.00 175.26 174.20 2c57 s LEU 47 N 2.81 3.69 -0.02 1.80 1.43 -1.26 0.45 118.68 127.57 2c57 s LEU 47 Ca 0.37 0.03 0.05 0.00 -1.03 0.00 0.00 54.13 53.54 2c57 s LEU 47 Cb -0.15 -2.20 -0.01 0.00 0.03 0.00 0.00 46.19 43.86 2c57 s LEU 47 CO 0.08 0.25 -0.16 -0.70 0.23 0.00 0.00 176.35 176.05 2c57 s GLU 48 N -1.82 1.41 -0.13 1.70 2.12 -0.62 -4.94 118.70 116.43 2c57 s GLU 48 Ca 0.23 -0.56 -0.02 0.00 0.36 0.00 0.00 54.97 54.98 2c57 s GLU 48 Cb -0.12 -1.32 -0.02 0.00 0.26 0.00 0.00 34.13 32.93 2c57 s GLU 48 CO 0.14 0.30 -0.07 -0.06 -0.54 0.00 0.00 175.26 175.03 2c57 s PHE 49 N -0.21 2.95 -0.05 5.30 0.08 -1.26 -0.56 117.98 124.23 2c57 s PHE 49 Ca 0.03 -0.30 -0.00 0.00 0.12 0.00 0.00 56.93 56.78 2c57 s PHE 49 Cb -0.08 -1.87 0.03 0.00 -0.57 0.00 0.00 43.02 40.53 2c57 s PHE 49 CO 0.00 0.02 -0.01 0.12 -0.10 0.00 0.00 175.22 175.25 2c57 s PHE 50 N 0.06 0.51 0.04 0.36 5.36 -0.47 -5.00 117.98 118.84 2c57 s PHE 50 Ca -0.02 -0.09 0.08 0.00 -0.96 0.00 0.00 56.93 55.95 2c57 s PHE 50 Cb -0.14 -0.59 -0.03 0.00 -0.34 0.00 0.00 43.02 41.93 2c57 s PHE 50 CO 0.03 -0.20 -0.24 -1.14 -1.46 0.00 0.00 175.22 172.21 2c57 s GLN 51 N 1.32 1.66 -0.01 10.12 -0.44 -1.26 -0.49 119.66 130.56 2c57 s GLN 51 Ca -0.05 -1.04 -0.27 0.00 -2.50 0.00 0.00 55.36 51.50 2c57 s GLN 51 Cb -0.13 -1.80 0.06 0.00 -1.64 0.00 0.00 33.01 29.49 2c57 s GLN 51 CO -0.02 0.47 0.60 -0.08 0.50 0.00 0.00 175.29 176.75 2c57 s THR 52 N -0.79 0.01 -2.12 -0.34 -1.32 -0.61 -4.95 115.64 105.52 2c57 s THR 52 Ca 0.10 -0.11 0.21 0.00 -1.21 0.00 0.00 61.69 60.68 2c57 s THR 52 Cb -0.10 -0.95 0.53 0.00 -1.51 0.00 0.00 72.50 70.48 2c57 s THR 52 CO 0.02 -0.06 1.46 0.59 -2.21 0.00 0.00 174.62 174.42 2c57 n ASN 53 N 0.75 3.34 -4.42 8.08 3.02 -1.26 -1.89 115.26 122.87 2c57 n ASN 53 Ca -0.19 -1.98 -0.37 0.00 -0.03 0.00 0.00 54.58 52.01 2c57 n ASN 53 Cb 0.58 -0.37 -0.13 0.00 -0.61 0.00 0.00 39.78 39.25 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 -1.25 3.08 0.17 3.10 0.40 -1.26 -4.76 117.98 117.47 2c57 s PHE 54 Ca 0.41 -0.55 -0.20 0.00 -0.60 0.00 0.00 56.93 56.00 2c57 s PHE 54 Cb 0.22 -2.23 0.10 0.00 0.51 0.00 0.00 43.02 41.61 2c57 s PHE 54 CO 0.30 -0.41 1.62 1.49 0.70 0.00 0.00 175.22 178.92 2c57 h GLU 55 N 8.23 -0.16 -0.69 0.44 4.81 -2.00 -1.88 114.58 123.33 2c57 h GLU 55 Ca -0.38 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 58.98 2c57 h GLU 55 Cb 1.17 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.54 2c57 h GLU 55 CO 0.59 -0.10 0.46 0.78 -0.73 0.00 0.00 179.01 180.00 2c57 h GLY 56 N -0.16 0.70 1.92 1.92 0.00 -1.99 -1.37 103.07 104.09 2c57 h GLY 56 Ca 0.20 -0.19 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 2c57 h GLY 56 CO -0.51 0.10 -0.56 0.83 0.00 0.00 0.00 176.54 176.39 2c57 h GLU 57 N 0.46 0.08 -0.11 4.80 5.08 -1.77 0.32 114.58 123.43 2c57 h GLU 57 Ca 0.33 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.61 2c57 h GLU 57 Cb 0.65 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 2c57 h GLU 57 CO -0.10 0.62 -0.05 0.82 -1.00 0.00 0.00 179.01 179.30 2c57 h ILE 58 N 0.06 1.31 -0.20 3.13 2.04 -0.95 -0.57 117.51 122.32 2c57 h ILE 58 Ca -0.00 -1.04 0.01 0.00 1.00 0.00 0.00 64.86 64.83 2c57 h ILE 58 Cb 1.01 1.77 -0.02 0.00 -0.74 0.00 0.00 36.82 38.84 2c57 h ILE 58 CO 0.08 0.30 0.10 0.40 0.00 0.00 0.00 178.15 179.02 2c57 h ILE 59 N -0.11 0.99 -0.64 -0.67 2.04 -1.25 -0.23 117.51 117.64 2c57 h ILE 59 Ca 0.03 -0.07 0.09 0.00 1.00 0.00 0.00 64.86 65.90 2c57 h ILE 59 Cb 0.49 0.76 -0.07 0.00 -0.74 0.00 0.00 36.82 37.26 2c57 h ILE 59 CO 0.01 0.04 0.29 0.44 0.00 0.00 0.00 178.15 178.93 2c57 h ASP 60 N 0.21 0.34 0.19 1.72 5.19 -0.32 -1.53 116.42 122.24 2c57 h ASP 60 Ca 0.08 0.07 -0.14 0.00 -0.62 0.00 0.00 57.03 56.42 2c57 h ASP 60 Cb 0.02 0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.54 2c57 h ASP 60 CO -0.06 0.20 -0.51 0.50 -3.12 0.00 0.00 179.24 176.25 2c57 h LYS 61 N 0.50 0.36 -0.31 3.56 1.63 0.30 0.11 116.57 122.72 2c57 h LYS 61 Ca 0.32 -0.21 -0.08 0.00 -0.85 0.00 0.00 60.65 59.82 2c57 h LYS 61 Cb 0.35 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.99 2c57 h LYS 61 CO -0.28 0.79 -0.14 0.82 -3.45 0.00 0.00 179.45 177.20 2c57 h ILE 62 N 0.28 1.29 -0.33 2.00 2.04 -0.90 -2.36 117.51 119.54 2c57 h ILE 62 Ca 0.01 -1.23 -0.01 0.00 1.00 0.00 0.00 64.86 64.63 2c57 h ILE 62 Cb 1.00 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 38.50 2c57 h ILE 62 CO 0.09 0.39 0.14 1.56 0.00 0.00 0.00 178.15 180.33 2c57 h GLN 63 N 0.40 0.45 0.00 2.37 4.20 -0.64 -1.24 115.11 120.65 2c57 h GLN 63 Ca 0.07 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.66 2c57 h GLN 63 Cb 0.65 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 2c57 h GLN 63 CO 0.04 0.37 -0.36 0.93 -0.67 0.00 0.00 178.83 179.14 2c57 h GLU 64 N 0.45 0.00 -0.86 1.46 5.08 -0.62 -3.24 114.58 116.86 2c57 h GLU 64 Ca 0.11 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.49 2c57 h GLU 64 Cb 0.08 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 2c57 h GLU 64 CO -0.01 0.36 0.57 0.66 -1.00 0.00 0.00 179.01 179.59 2c57 h SER 65 N 0.00 0.97 0.00 1.42 4.64 -0.68 -3.00 113.55 116.89 2c57 h SER 65 Ca -0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2c57 h SER 65 Cb 0.82 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 2c57 h SER 65 CO 0.05 0.69 0.41 0.52 -0.87 0.00 0.00 176.83 177.62 2c57 n VAL 66 N -4.41 0.52 -3.37 0.95 0.31 -1.23 -4.31 118.33 106.79 2c57 n VAL 66 Ca 0.10 0.60 -0.38 0.00 -0.01 0.00 0.00 64.34 64.65 2c57 n VAL 66 Cb 0.04 -1.60 -0.06 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 -2.54 2.42 0.00 2.92 0.00 -1.14 -5.04 107.32 103.95 2c57 s GLY 67 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 44.72 44.52 2c57 s GLY 67 CO 0.03 0.59 0.00 1.44 0.00 0.00 0.00 173.10 175.16 2c57 n SER 68 N 3.12 0.00 0.00 1.64 7.64 -1.26 -3.90 113.62 120.86 2c57 n SER 68 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.79 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 -4.67 6.43 3.85 -1.26 -4.42 116.55 116.48 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 -0.83 3.37 -0.53 2.11 1.51 -1.25 -3.66 117.35 118.07 2c57 s TYR 70 Ca 0.00 0.54 0.22 0.00 -1.01 0.00 0.00 57.07 56.82 2c57 s TYR 70 Cb 0.00 -2.47 -0.13 0.00 -0.11 0.00 0.00 41.96 39.26 2c57 s TYR 70 CO 0.00 0.02 0.84 0.39 -1.11 0.00 0.00 175.55 175.69 2c57 n GLU 71 N 4.39 0.33 -3.45 -0.62 1.02 0.03 -4.95 120.64 117.39 2c57 n GLU 71 Ca -0.10 -0.05 -0.11 0.00 -0.02 0.00 0.00 57.16 56.88 2c57 n GLU 71 Cb 0.51 -1.56 -0.02 0.00 -0.02 0.00 0.00 31.44 30.35 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 -3.76 -0.57 -0.06 0.62 0.00 -1.26 -4.13 107.32 98.15 2c57 s GLY 72 Ca 0.01 0.66 0.03 0.00 0.00 0.00 0.00 44.72 45.42 2c57 s GLY 72 CO 0.85 0.23 -0.15 -0.42 0.00 0.00 0.00 173.10 173.61 2c57 s ILE 73 N -3.51 1.30 -0.11 0.90 1.01 -0.04 -0.82 121.20 119.93 2c57 s ILE 73 Ca 0.02 -0.59 -0.04 0.00 0.00 0.00 0.00 60.65 60.04 2c57 s ILE 73 Cb -0.01 -1.16 -0.04 0.00 0.01 0.00 0.00 42.46 41.27 2c57 s ILE 73 CO -0.11 0.39 0.04 -0.63 0.00 0.00 0.00 174.94 174.62 2c57 s ILE 74 N 0.48 4.61 -0.14 2.92 1.01 0.15 -1.07 121.20 129.17 2c57 s ILE 74 Ca -0.13 -0.13 -0.08 0.00 0.00 0.00 0.00 60.65 60.31 2c57 s ILE 74 Cb -0.15 -2.98 0.05 0.00 0.01 0.00 0.00 42.46 39.39 2c57 s ILE 74 CO 0.04 0.59 0.34 -0.51 0.00 0.00 0.00 174.94 175.40 2c57 s ILE 75 N -0.70 -0.03 -0.71 2.92 2.07 -0.20 -0.69 121.20 123.86 2c57 s ILE 75 Ca 0.12 0.09 -0.01 0.00 -1.41 0.00 0.00 60.65 59.44 2c57 s ILE 75 Cb -0.12 -0.51 0.18 0.00 0.13 0.00 0.00 42.46 42.14 2c57 s ILE 75 CO 0.02 0.04 0.54 0.21 -1.91 0.00 0.00 174.94 173.84 2c57 s ASN 76 N 1.12 5.34 0.00 4.50 3.84 -0.05 -0.83 114.94 128.86 2c57 s ASN 76 Ca -0.08 -3.25 0.01 0.00 0.21 0.00 0.00 52.86 49.75 2c57 s ASN 76 Cb -0.08 -1.83 0.03 0.00 -0.55 0.00 0.00 41.25 38.82 2c57 s ASN 76 CO -0.09 -0.27 0.94 -2.65 -2.79 0.00 0.00 177.10 172.25 2c57 n PRO 77 N 2.93 0.00 0.00 0.43 -0.02 -1.26 -1.02 135.00 136.06 2c57 n PRO 77 Ca 0.13 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 2c57 n PRO 77 Cb 0.37 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 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 2.65 0.38 -1.23 0.00 -1.26 -2.02 105.19 102.33 2c57 n GLY 78 Ca 0.00 -0.40 0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.98 2.23 0.00 4.61 0.00 -1.91 0.18 119.26 123.41 2c57 h ALA 79 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2c57 h ALA 79 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2c57 h ALA 79 CO 0.00 -0.61 0.00 0.74 0.00 0.00 0.00 179.25 179.38 2c57 h PHE 80 N 0.00 0.00 -0.88 0.00 0.04 -1.81 -2.83 116.94 111.46 2c57 h PHE 80 Ca 0.21 0.00 0.16 0.00 2.80 0.00 0.00 57.97 61.14 2c57 h PHE 80 Cb 0.97 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 39.02 2c57 h PHE 80 CO 0.00 0.00 0.46 0.77 -0.60 0.00 0.00 178.31 178.94 2c57 h SER 81 N 0.00 0.55 1.76 2.17 0.02 -0.71 0.23 113.55 117.57 2c57 h SER 81 Ca 0.00 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2c57 h SER 81 Cb 0.24 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.80 2c57 h SER 81 CO 0.00 0.20 -0.20 0.45 -1.14 0.00 0.00 176.83 176.15 2c57 h HIS 82 N 0.62 0.00 0.00 3.45 3.86 -1.69 0.27 115.15 121.65 2c57 h HIS 82 Ca 0.50 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.71 2c57 h HIS 82 Cb 0.75 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.22 2c57 h HIS 82 CO -0.08 0.00 -0.55 0.25 0.86 0.00 0.00 177.93 178.41 2c57 n THR 83 N -2.95 0.00 -2.81 2.45 -2.24 -0.89 -4.56 114.28 103.28 2c57 n THR 83 Ca 0.03 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.38 2c57 n THR 83 Cb 0.53 -0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 68.54 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 -1.66 6.60 0.30 3.42 0.15 0.77 -4.80 113.70 118.47 2c57 s SER 84 Ca 0.00 -1.89 0.02 0.00 0.70 0.00 0.00 55.95 54.78 2c57 s SER 84 Cb 0.00 -2.45 0.58 0.00 -1.71 0.00 0.00 66.02 62.44 2c57 s SER 84 CO 0.00 -1.19 1.86 0.40 1.20 0.00 0.00 173.24 175.51 2c57 h ILE 85 N 6.10 0.94 0.13 6.45 2.04 -1.93 -2.96 117.51 128.28 2c57 h ILE 85 Ca 0.18 -0.33 0.01 0.00 1.00 0.00 0.00 64.86 65.71 2c57 h ILE 85 Cb 1.02 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 2c57 h ILE 85 CO 1.21 0.18 -0.15 0.00 0.00 0.00 0.00 178.15 179.39 2c57 h ALA 86 N 1.54 -0.28 -0.59 1.87 0.00 -1.98 0.25 119.26 120.08 2c57 h ALA 86 Ca 0.47 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.40 2c57 h ALA 86 Cb 0.46 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2c57 h ALA 86 CO -0.23 -0.68 0.39 0.82 0.00 0.00 0.00 179.25 179.55 2c57 h ILE 87 N -0.31 1.01 -0.07 0.00 2.04 -1.92 0.52 117.51 118.78 2c57 h ILE 87 Ca 0.01 -0.21 -0.04 0.00 1.00 0.00 0.00 64.86 65.63 2c57 h ILE 87 Cb 0.31 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 36.75 2c57 h ILE 87 CO -0.05 0.11 -0.10 0.00 0.00 0.00 0.00 178.15 178.10 2c57 h ALA 88 N 1.67 0.11 -1.01 1.87 0.00 -1.28 0.59 119.26 121.22 2c57 h ALA 88 Ca 0.25 -0.32 0.24 0.00 0.00 0.00 0.00 54.91 55.08 2c57 h ALA 88 Cb 0.23 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 17.90 2c57 h ALA 88 CO -0.07 -0.04 0.63 -0.44 0.00 0.00 0.00 179.25 179.33 2c57 h ASP 89 N -0.27 0.61 0.02 0.00 5.19 0.15 -0.69 116.42 121.42 2c57 h ASP 89 Ca 0.01 0.10 -0.00 0.00 -0.62 0.00 0.00 57.03 56.52 2c57 h ASP 89 Cb 0.66 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.17 2c57 h ASP 89 CO 0.02 0.14 -0.01 0.00 -3.12 0.00 0.00 179.24 176.28 2c57 h ALA 90 N 1.67 -0.03 -0.99 3.45 0.00 -0.58 -2.99 119.26 119.78 2c57 h ALA 90 Ca 0.60 -0.31 0.29 0.00 0.00 0.00 0.00 54.91 55.49 2c57 h ALA 90 Cb 1.24 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 2c57 h ALA 90 CO -0.37 -0.19 0.73 0.82 0.00 0.00 0.00 179.25 180.23 2c57 h ILE 91 N -0.68 0.47 0.00 0.00 2.04 -0.32 -0.52 117.51 118.50 2c57 h ILE 91 Ca -0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 2c57 h ILE 91 Cb 0.63 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 37.20 2c57 h ILE 91 CO 0.01 0.00 -0.12 0.24 0.00 0.00 0.00 178.15 178.28 2c57 h MET 92 N 0.00 0.00 -0.06 2.37 2.86 -0.99 -2.88 114.93 116.24 2c57 h MET 92 Ca 0.47 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.11 2c57 h MET 92 Cb 1.92 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.58 2c57 h MET 92 CO -0.00 0.12 0.00 1.28 1.06 0.00 0.00 176.91 179.36 2c57 n LEU 93 N -3.15 2.29 0.21 1.22 4.77 -0.23 -4.18 117.00 117.93 2c57 n LEU 93 Ca 0.03 -0.79 0.15 0.00 -0.03 0.00 0.00 56.01 55.36 2c57 n LEU 93 Cb 0.53 -0.02 0.79 0.00 -2.33 0.00 0.00 43.42 42.38 2c57 n LEU 93 CO 0.34 0.40 1.13 0.00 -1.33 0.00 0.00 177.39 177.93 2c57 h ALA 94 N 4.50 1.88 -6.53 -1.18 0.00 -1.24 -3.46 119.26 113.23 2c57 h ALA 94 Ca 0.00 -0.01 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 2c57 h ALA 94 Cb 0.75 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 2c57 h ALA 94 CO 0.00 -0.21 -0.91 0.41 0.00 0.00 0.00 179.25 178.54 2c57 n GLY 95 N -1.45 -0.41 0.00 0.00 0.00 -1.26 -4.81 105.19 97.27 2c57 n GLY 95 Ca 0.01 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -4.43 0.00 -1.68 1.61 2.85 -1.26 -5.13 118.16 110.13 2c57 n LYS 96 Ca -0.26 0.00 -0.47 0.00 -1.05 0.00 0.00 58.31 56.53 2c57 n LYS 96 Cb 0.66 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 35.00 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 -0.16 2.21 -5.11 -1.58 -0.02 -1.26 -4.86 135.00 124.23 2c57 n PRO 97 Ca 0.00 0.81 -0.32 0.00 -2.02 0.00 0.00 63.50 61.96 2c57 n PRO 97 Cb 0.00 -2.63 -0.17 0.00 -0.02 0.00 0.00 33.50 30.68 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 2.88 2.14 -0.18 -1.45 1.01 -1.26 -0.87 120.40 122.67 2c57 s VAL 98 Ca 0.87 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.87 2c57 s VAL 98 Cb -0.67 -1.82 0.01 0.00 0.00 0.00 0.00 36.38 33.90 2c57 s VAL 98 CO 0.46 0.56 -0.19 -0.63 0.00 0.00 0.00 175.10 175.30 2c57 s ILE 99 N 0.41 2.21 -0.04 2.22 1.01 -0.23 -2.53 121.20 124.25 2c57 s ILE 99 Ca -0.17 -0.90 -0.22 0.00 0.00 0.00 0.00 60.65 59.36 2c57 s ILE 99 Cb -0.18 -1.93 -0.05 0.00 0.01 0.00 0.00 42.46 40.32 2c57 s ILE 99 CO 0.07 0.53 0.65 -0.70 0.00 0.00 0.00 174.94 175.49 2c57 s GLU 100 N 1.21 4.39 -0.05 2.79 2.12 -0.91 -1.04 118.70 127.21 2c57 s GLU 100 Ca 0.03 0.80 0.04 0.00 0.36 0.00 0.00 54.97 56.20 2c57 s GLU 100 Cb -0.14 -3.40 -0.02 0.00 0.26 0.00 0.00 34.13 30.83 2c57 s GLU 100 CO -0.10 0.21 -0.17 0.08 -0.54 0.00 0.00 175.26 174.74 2c57 s VAL 101 N 0.31 2.79 -0.02 3.70 1.01 -0.01 -0.81 120.40 127.37 2c57 s VAL 101 Ca 0.34 -0.82 0.05 0.00 0.00 0.00 0.00 61.98 61.55 2c57 s VAL 101 Cb -0.18 -2.08 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 2c57 s VAL 101 CO 0.18 0.58 -0.17 -1.00 0.00 0.00 0.00 175.10 174.69 2c57 s HIS 102 N -0.54 1.59 0.00 5.22 3.76 -0.04 -4.14 115.29 121.14 2c57 s HIS 102 Ca 0.07 -0.36 -0.23 0.00 -0.15 0.00 0.00 55.06 54.39 2c57 s HIS 102 Cb -0.11 -1.04 -0.18 0.00 1.11 0.00 0.00 32.58 32.36 2c57 s HIS 102 CO 0.01 -0.07 1.28 -0.07 -0.85 0.00 0.00 174.74 175.04 2c57 h LEU 103 N 5.91 0.18-10.62 0.89 3.38 -1.89 -2.43 115.31 110.73 2c57 h LEU 103 Ca -0.35 -0.51 -0.46 0.00 0.09 0.00 0.00 57.88 56.66 2c57 h LEU 103 Cb 1.16 -0.05 0.06 0.00 0.09 0.00 0.00 40.66 41.92 2c57 h LEU 103 CO 0.48 0.65 0.04 0.42 0.09 0.00 0.00 178.44 180.12 2c57 s THR 104 N -4.19 2.34 -0.72 0.22 -4.23 -1.26 -0.43 115.64 107.37 2c57 s THR 104 Ca -0.15 -0.65 -0.15 0.00 -1.18 0.00 0.00 61.69 59.56 2c57 s THR 104 Cb 0.03 -2.70 0.18 0.00 1.34 0.00 0.00 72.50 71.35 2c57 s THR 104 CO 0.71 0.00 0.69 0.21 -0.54 0.00 0.00 174.62 175.69 2c57 s ASN 105 N -4.61 6.52 0.29 3.99 3.84 -1.26 -0.67 114.94 123.04 2c57 s ASN 105 Ca 0.62 -2.26 0.24 0.00 0.21 0.00 0.00 52.86 51.68 2c57 s ASN 105 Cb -0.07 -2.23 1.04 0.00 -0.55 0.00 0.00 41.25 39.44 2c57 s ASN 105 CO 0.42 -0.74 1.73 0.16 -2.79 0.00 0.00 177.10 175.88 2c57 h ILE 106 N 5.30 0.00 -0.65 -5.21 3.07 -1.92 0.35 117.51 118.44 2c57 h ILE 106 Ca -0.06 -0.22 0.12 0.00 1.55 0.00 0.00 64.86 66.25 2c57 h ILE 106 Cb 1.06 0.94 -0.04 0.00 -0.27 0.00 0.00 36.82 38.51 2c57 h ILE 106 CO 0.90 0.00 0.44 1.56 -1.05 0.00 0.00 178.15 180.00 2c57 h GLN 107 N 0.00 0.38 -0.63 0.16 1.08 -1.84 -3.28 115.11 110.97 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 0.33 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 2c57 h GLN 107 CO 0.00 0.25 0.00 0.00 -0.95 0.00 0.00 178.83 178.13 2c57 n ALA 108 N -2.53 2.38 -2.81 3.87 0.00 0.12 -4.89 120.51 116.66 2c57 n ALA 108 Ca 0.11 -1.30 0.00 0.00 0.00 0.00 0.00 53.44 52.26 2c57 n ALA 108 Cb 0.44 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 19.08 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 1.33 3.21 -1.47 0.00 1.74 -1.25 -5.04 116.66 115.19 2c57 n ARG 109 Ca 0.22 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.99 2c57 n ARG 109 Cb 0.60 0.00 0.07 0.00 -1.02 0.00 0.00 32.46 32.10 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 4.45 2.66 0.17 5.56 8.01 -1.26 -4.92 118.70 133.36 2c57 s GLU 110 Ca 0.00 1.01 -0.27 0.00 0.01 0.00 0.00 54.97 55.72 2c57 s GLU 110 Cb 0.00 -1.95 0.02 0.00 -4.31 0.00 0.00 34.13 27.89 2c57 s GLU 110 CO 0.00 -1.31 1.56 1.49 0.01 0.00 0.00 175.26 177.01 2c57 h GLU 111 N -0.88 -0.20 0.00 1.61 4.57 -1.95 -1.43 114.58 116.31 2c57 h GLU 111 Ca -0.44 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.75 2c57 h GLU 111 Cb 1.22 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.86 2c57 h GLU 111 CO 0.55 -0.13 0.29 0.27 -1.18 0.00 0.00 179.01 178.81 2c57 h PHE 112 N -0.21 0.00 -0.01 0.92 -5.15 -1.97 0.57 116.94 111.10 2c57 h PHE 112 Ca 0.18 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.95 2c57 h PHE 112 Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.72 2c57 h PHE 112 CO -0.76 0.00 -0.37 0.54 -2.00 0.00 0.00 178.31 175.71 2c57 n ARG 113 N -2.63 0.70 0.20 6.09 1.74 -0.54 -4.64 116.66 117.59 2c57 n ARG 113 Ca -0.02 -0.46 -0.08 0.00 -0.77 0.00 0.00 57.85 56.53 2c57 n ARG 113 Cb 0.33 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.24 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 1.12 -0.49 -7.06 5.56 1.57 -0.93 -3.43 116.57 112.92 2c57 h LYS 114 Ca 0.00 0.03 -0.55 0.00 -1.87 0.00 0.00 60.65 58.27 2c57 h LYS 114 Cb 0.54 0.11 0.14 0.00 0.08 0.00 0.00 32.23 33.10 2c57 h LYS 114 CO 0.00 -0.32 0.58 1.21 -0.57 0.00 0.00 179.45 180.35 2c57 s ASN 115 N -3.05 5.21 -0.18 0.86 2.47 -1.26 -4.59 114.94 114.40 2c57 s ASN 115 Ca -0.07 2.71 0.01 0.00 0.42 0.00 0.00 52.86 55.92 2c57 s ASN 115 Cb 0.01 -2.63 0.03 0.00 -1.45 0.00 0.00 41.25 37.21 2c57 s ASN 115 CO 0.22 -1.61 -0.11 -0.55 -3.72 0.00 0.00 177.10 171.33 2c57 s SER 116 N -1.07 3.07 0.03 -4.21 0.15 -1.26 -4.36 113.70 106.06 2c57 s SER 116 Ca 0.73 -0.71 -0.27 0.00 0.70 0.00 0.00 55.95 56.40 2c57 s SER 116 Cb -0.39 -1.18 -0.17 0.00 -1.71 0.00 0.00 66.02 62.57 2c57 s SER 116 CO 0.45 -0.12 1.39 1.88 1.20 0.00 0.00 173.24 178.04 2c57 h TYR 117 N 8.02 -0.51 -0.82 3.44 0.05 -1.18 -2.87 116.97 123.10 2c57 h TYR 117 Ca -0.31 -0.01 0.16 0.00 0.05 0.00 0.00 58.73 58.62 2c57 h TYR 117 Cb 1.11 0.17 -0.06 0.00 1.01 0.00 0.00 36.73 38.96 2c57 h TYR 117 CO 0.49 -0.21 0.54 1.79 -1.05 0.00 0.00 178.16 179.72 2c57 h THR 118 N -0.76 0.77 -0.46 -2.88 1.35 -1.78 -1.51 112.91 107.65 2c57 h THR 118 Ca -0.06 -0.16 -0.13 0.00 -0.55 0.00 0.00 66.41 65.51 2c57 h THR 118 Cb 0.52 0.26 -0.01 0.00 -1.73 0.00 0.00 68.15 67.19 2c57 h THR 118 CO 0.09 0.09 -0.24 1.23 -0.25 0.00 0.00 175.52 176.44 2c57 h GLY 119 N 0.47 1.04 2.00 5.82 0.00 -1.80 -2.02 103.07 108.58 2c57 h GLY 119 Ca 0.41 -0.93 -0.03 0.00 0.00 0.00 0.00 47.33 46.78 2c57 h GLY 119 CO -0.15 0.85 -0.16 0.00 0.00 0.00 0.00 176.54 177.08 2c57 h ALA 120 N 0.90 1.17 0.16 3.60 0.00 -1.06 -2.90 119.26 121.13 2c57 h ALA 120 Ca 0.10 -0.14 -0.24 0.00 0.00 0.00 0.00 54.91 54.63 2c57 h ALA 120 Cb 0.81 -0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.60 2c57 h ALA 120 CO 0.07 0.20 -1.05 0.00 0.00 0.00 0.00 179.25 178.46 2c57 h ALA 121 N 1.84 -0.09 -2.98 0.00 0.00 -1.25 -3.44 119.26 113.34 2c57 h ALA 121 Ca -0.00 -0.74 -0.56 0.00 0.00 0.00 0.00 54.91 53.60 2c57 h ALA 121 Cb 0.49 0.12 0.16 0.00 0.00 0.00 0.00 17.79 18.56 2c57 h ALA 121 CO 0.02 0.50 0.33 0.00 0.00 0.00 0.00 179.25 180.11 2c57 h GLY 123 N 0.45 0.34 -3.67 0.00 0.00 -1.74 -3.46 103.07 94.99 2c57 h GLY 123 Ca -0.50 -0.14 0.15 0.00 0.00 0.00 0.00 47.33 46.84 2c57 h GLY 123 CO 0.52 0.14 0.60 -0.32 0.00 0.00 0.00 176.54 177.47 2c57 s GLY 124 N -3.88 -0.37 -0.04 4.60 0.00 -1.26 -5.10 107.32 101.27 2c57 s GLY 124 Ca -0.07 1.37 0.02 0.00 0.00 0.00 0.00 44.72 46.04 2c57 s GLY 124 CO 0.71 0.51 -0.07 0.14 0.00 0.00 0.00 173.10 174.40 2c57 s VAL 125 N -2.57 0.67 -0.12 1.40 1.01 -1.26 -2.15 120.40 117.38 2c57 s VAL 125 Ca 0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 61.98 61.77 2c57 s VAL 125 Cb -0.01 -0.64 -0.03 0.00 0.00 0.00 0.00 36.38 35.70 2c57 s VAL 125 CO -0.06 0.24 -0.05 -0.63 0.00 0.00 0.00 175.10 174.60 2c57 s ILE 126 N 0.60 3.85 -0.07 2.22 1.01 0.01 -5.01 121.20 123.81 2c57 s ILE 126 Ca -0.09 -0.39 -0.17 0.00 0.00 0.00 0.00 60.65 60.00 2c57 s ILE 126 Cb -0.12 -2.64 0.04 0.00 0.01 0.00 0.00 42.46 39.74 2c57 s ILE 126 CO 0.01 0.54 0.41 0.00 0.00 0.00 0.00 174.94 175.89 2c57 s MET 127 N -0.10 0.66 -0.01 2.79 0.23 -1.26 -0.86 119.30 120.75 2c57 s MET 127 Ca 0.02 0.16 0.00 0.00 -1.03 0.00 0.00 55.69 54.84 2c57 s MET 127 Cb -0.13 0.31 0.00 0.00 -1.53 0.00 0.00 34.83 33.48 2c57 s MET 127 CO 0.03 -0.16 0.00 0.41 -2.03 0.00 0.00 175.02 173.27 2c57 n GLY 128 N 1.80 0.38 0.53 3.16 0.00 0.16 -4.73 105.19 106.49 2c57 n GLY 128 Ca -0.18 -1.00 0.06 0.00 0.00 0.00 0.00 46.02 44.90 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 -3.45 0.11 -3.50 1.61 3.01 -0.86 -4.72 117.46 109.66 2c57 n PHE 129 Ca -0.00 -0.11 0.00 0.00 1.01 0.00 0.00 57.45 58.35 2c57 n PHE 129 Cb 0.23 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.69 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 0.96 0.32 1.37 0.00 0.42 -3.60 105.19 105.32 2c57 n GLY 130 Ca 0.08 -0.64 -0.07 0.00 0.00 0.00 0.00 46.02 45.40 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 1.06 -0.65 1.61 0.11 -1.92 -1.56 132.00 130.66 2c57 h PRO 131 Ca 0.00 -0.26 0.24 0.00 0.11 0.00 0.00 66.00 66.09 2c57 h PRO 131 Cb 0.00 -0.14 -0.12 0.00 0.11 0.00 0.00 31.00 30.86 2c57 h PRO 131 CO 0.00 0.96 0.25 -0.11 -0.21 0.00 0.00 178.00 178.88 2c57 n LEU 132 N -4.23 0.13 -0.31 2.35 7.94 -1.24 0.72 117.00 122.36 2c57 n LEU 132 Ca 0.05 1.08 0.18 0.00 -1.11 0.00 0.00 56.01 56.20 2c57 n LEU 132 Cb 0.27 -0.49 0.43 0.00 0.53 0.00 0.00 43.42 44.16 2c57 n LEU 132 CO 0.42 -1.18 1.21 1.23 -1.11 0.00 0.00 177.39 177.96 2c57 h GLY 133 N 0.00 1.37 0.97 -3.96 0.00 -1.43 0.88 103.07 100.90 2c57 h GLY 133 Ca 0.50 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.56 2c57 h GLY 133 CO -0.53 -0.07 -0.10 -0.97 0.00 0.00 0.00 176.54 174.87 2c57 h TYR 134 N 0.55 -0.26 -0.72 5.60 -1.99 0.09 0.49 116.97 120.74 2c57 h TYR 134 Ca 0.56 -0.01 0.06 0.00 2.00 0.00 0.00 58.73 61.34 2c57 h TYR 134 Cb 1.16 0.09 -0.06 0.00 2.00 0.00 0.00 36.73 39.92 2c57 h TYR 134 CO -0.00 -0.13 0.42 -0.91 -0.00 0.00 0.00 178.16 177.53 2c57 h ASN 135 N -0.32 0.62 -0.87 3.88 2.35 -1.13 0.19 115.58 120.31 2c57 h ASN 135 Ca -0.03 0.03 0.23 0.00 -0.55 0.00 0.00 56.30 55.98 2c57 h ASN 135 Cb 0.24 -0.10 -0.14 0.00 0.05 0.00 0.00 38.32 38.38 2c57 h ASN 135 CO 0.05 0.40 0.21 0.24 -1.65 0.00 0.00 177.43 176.68 2c57 h MET 136 N 0.76 0.20 0.14 0.81 2.86 -0.66 0.90 114.93 119.93 2c57 h MET 136 Ca 0.32 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.95 2c57 h MET 136 Cb 0.20 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.82 2c57 h MET 136 CO -0.19 0.13 -0.07 0.00 1.06 0.00 0.00 176.91 177.85 2c57 h ALA 137 N 1.77 -0.19 -0.82 6.32 0.00 0.16 -1.69 119.26 124.82 2c57 h ALA 137 Ca 0.54 -0.19 0.19 0.00 0.00 0.00 0.00 54.91 55.45 2c57 h ALA 137 Cb 1.07 0.07 -0.15 0.00 0.00 0.00 0.00 17.79 18.78 2c57 h ALA 137 CO -0.65 -0.42 -0.05 -0.07 0.00 0.00 0.00 179.25 178.05 2c57 h LEU 138 N -0.55 -0.49 -0.77 0.00 3.38 -0.82 0.22 115.31 116.27 2c57 h LEU 138 Ca -0.02 0.23 0.09 0.00 0.09 0.00 0.00 57.88 58.27 2c57 h LEU 138 Cb 0.43 0.42 -0.07 0.00 0.09 0.00 0.00 40.66 41.53 2c57 h LEU 138 CO 0.03 -0.24 0.42 -0.03 0.09 0.00 0.00 178.44 178.71 2c57 h MET 139 N 0.06 0.69 0.03 1.13 4.05 -0.36 -0.67 114.93 119.85 2c57 h MET 139 Ca 0.44 -0.04 -0.15 0.00 -0.28 0.00 0.00 59.70 59.67 2c57 h MET 139 Cb 0.78 -0.16 0.01 0.00 -0.80 0.00 0.00 31.60 31.44 2c57 h MET 139 CO -0.77 0.46 -0.60 0.00 0.23 0.00 0.00 176.91 176.23 2c57 h ALA 140 N 1.44 0.04 -0.11 0.39 0.00 -0.17 -3.03 119.26 117.81 2c57 h ALA 140 Ca 0.37 -0.58 0.04 0.00 0.00 0.00 0.00 54.91 54.74 2c57 h ALA 140 Cb 0.35 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 2c57 h ALA 140 CO -0.25 0.32 -0.18 1.98 0.00 0.00 0.00 179.25 181.12 2c57 h MET 141 N -0.21 -0.23 -0.81 0.00 -1.53 -0.07 0.33 114.93 112.41 2c57 h MET 141 Ca -0.08 0.02 0.15 0.00 -3.44 0.00 0.00 59.70 56.35 2c57 h MET 141 Cb 1.35 0.05 -0.15 0.00 -0.55 0.00 0.00 31.60 32.30 2c57 h MET 141 CO 0.12 -0.15 -0.25 0.28 0.14 0.00 0.00 176.91 177.04 2c57 h VAL 142 N -0.24 0.15 -0.41 -5.77 2.07 -1.24 -1.06 116.25 109.75 2c57 h VAL 142 Ca 0.09 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.61 2c57 h VAL 142 Cb 0.37 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 2c57 h VAL 142 CO -0.25 0.00 0.25 0.78 0.02 0.00 0.00 177.57 178.37 2c57 h ASN 143 N -0.03 0.48 -0.32 0.57 2.35 -0.85 -1.19 115.58 116.60 2c57 h ASN 143 Ca 0.36 -0.04 -0.10 0.00 -0.55 0.00 0.00 56.30 55.97 2c57 h ASN 143 Cb 0.60 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 2c57 h ASN 143 CO -0.84 0.38 -0.21 0.40 -1.65 0.00 0.00 177.43 175.51 2c57 h ILE 144 N 0.54 1.29 -0.65 2.81 2.04 -0.57 -1.74 117.51 121.24 2c57 h ILE 144 Ca 0.15 -1.34 -0.02 0.00 1.00 0.00 0.00 64.86 64.64 2c57 h ILE 144 Cb -0.02 1.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 2c57 h ILE 144 CO -0.03 0.43 0.32 -0.07 0.00 0.00 0.00 178.15 178.81 2c57 h LEU 145 N 0.46 0.84 -0.62 1.44 3.38 -1.25 0.23 115.31 119.79 2c57 h LEU 145 Ca 0.06 -0.12 0.06 0.00 0.09 0.00 0.00 57.88 57.97 2c57 h LEU 145 Cb 0.75 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.24 2c57 h LEU 145 CO 0.06 0.72 0.32 0.00 0.09 0.00 0.00 178.44 179.63 2c57 h ALA 146 N 1.15 0.81 0.02 1.53 0.00 -1.06 -2.07 119.26 119.64 2c57 h ALA 146 Ca 0.22 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2c57 h ALA 146 Cb 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2c57 h ALA 146 CO -0.03 -0.03 -0.01 1.49 0.00 0.00 0.00 179.25 180.67 2c57 h GLU 147 N 0.59 -0.02 -0.61 0.00 4.81 -0.62 -1.91 114.58 116.81 2c57 h GLU 147 Ca 0.28 0.00 0.12 0.00 -0.13 0.00 0.00 59.36 59.63 2c57 h GLU 147 Cb 0.21 0.01 -0.12 0.00 0.63 0.00 0.00 28.75 29.47 2c57 h GLU 147 CO -0.20 0.65 -0.26 0.52 -0.73 0.00 0.00 179.01 178.99 2c57 h MET 148 N -0.73 -0.10 -0.93 1.92 2.86 -0.64 -1.63 114.93 115.68 2c57 h MET 148 Ca -0.00 0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.70 2c57 h MET 148 Cb 0.68 0.02 -0.06 0.00 0.06 0.00 0.00 31.60 32.30 2c57 h MET 148 CO 0.00 -0.07 0.61 0.87 1.06 0.00 0.00 176.91 179.38 2c57 h LYS 149 N -0.10 1.06 -0.64 1.72 1.57 -1.33 -1.30 116.57 117.55 2c57 h LYS 149 Ca 0.27 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.93 2c57 h LYS 149 Cb 0.53 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 2c57 h LYS 149 CO -0.68 0.70 0.19 0.00 -0.57 0.00 0.00 179.45 179.09 2c57 h ALA 150 N 1.49 1.11 -0.00 3.86 0.00 -0.58 -3.29 119.26 121.84 2c57 h ALA 150 Ca 0.39 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 2c57 h ALA 150 Cb 0.15 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.69 2c57 h ALA 150 CO -0.14 0.60 -0.56 0.35 0.00 0.00 0.00 179.25 179.50 2c57 h PHE 151 N 0.95 0.57 0.00 0.00 -0.00 -0.36 -1.41 116.94 116.68 2c57 h PHE 151 Ca 0.21 -0.31 0.00 0.00 -0.00 0.00 0.00 57.97 57.87 2c57 h PHE 151 Cb 0.30 -0.07 0.00 0.00 -0.00 0.00 0.00 35.95 36.18 2c57 h PHE 151 CO 0.02 1.12 0.00 1.04 -0.00 0.00 0.00 178.31 180.49 2c57 n GLN 152 N -4.25 0.08 -0.06 1.11 6.02 -0.74 -1.30 117.38 118.24 2c57 n GLN 152 Ca -0.10 0.39 -0.03 0.00 -0.01 0.00 0.00 57.00 57.25 2c57 n GLN 152 Cb 0.65 -1.68 -0.16 0.00 1.02 0.00 0.00 30.24 30.08 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 -1.84 0.67 0.13 -1.09 1.02 -1.20 -2.83 120.64 115.50 2c57 n GLU 153 Ca 0.02 -0.04 -0.14 0.00 -0.02 0.00 0.00 57.16 56.98 2c57 n GLU 153 Cb 0.15 -1.55 -0.08 0.00 -0.02 0.00 0.00 31.44 29.93 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 1.33 -0.29 0.13 0.62 0.00 -0.26 -3.27 119.26 117.51 2c57 h ALA 154 Ca -0.35 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 2c57 h ALA 154 Cb 1.82 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.72 2c57 h ALA 154 CO 0.02 -0.60 -0.06 1.96 0.00 0.00 0.00 179.25 180.57 2c57 h GLN 155 N -0.42 -0.16 0.00 0.00 4.20 -1.40 -3.29 115.11 114.04 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 0.32 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.14 2c57 h GLN 155 CO 0.05 -0.11 0.00 0.36 -0.67 0.00 0.00 178.83 178.46 2c57 n LYS 156 N -3.72 0.00 -0.06 1.46 2.85 -1.13 0.37 118.16 117.94 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 0.07 -1.23 -0.16 0.00 -0.65 0.00 0.00 35.03 33.06 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 -0.56 0.10 0.00 -5.58 4.13 -1.23 -5.00 115.26 107.11 2c57 n ASN 157 Ca 0.00 0.05 0.00 0.00 1.68 0.00 0.00 54.58 56.31 2c57 n ASN 157 Cb 0.00 1.17 0.00 0.00 -1.54 0.00 0.00 39.78 39.41 2c57 n ASN 157 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34