#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h56 n HIS 3 N 0.00 -2.12 0.36 7.33 -0.00 -1.26 -4.94 115.22 114.58 1h56 n HIS 3 Ca 0.00 0.89 -0.14 0.00 -0.00 0.00 0.00 57.72 58.47 1h56 n HIS 3 Cb 0.00 -4.58 -0.07 0.00 -0.00 0.00 0.00 29.99 25.35 1h56 n HIS 3 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1h56 h PRO 4 N -1.98 -0.89 -0.26 -0.41 0.11 -2.06 -3.19 132.00 123.31 1h56 h PRO 4 Ca -0.60 0.06 -0.11 0.00 0.11 0.00 0.00 66.00 65.47 1h56 h PRO 4 Cb 1.36 0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.66 1h56 h PRO 4 CO 0.56 -0.60 -0.29 -0.44 -0.21 0.00 0.00 178.00 177.03 1h56 h ASP 5 N -1.02 0.54 0.29 -2.05 3.32 -2.00 -3.21 116.42 112.28 1h56 h ASP 5 Ca -0.09 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 56.75 1h56 h ASP 5 Cb 0.71 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1h56 h ASP 5 CO 0.16 0.80 -0.14 0.25 -1.72 0.00 0.00 179.24 178.59 1h56 h LEU 6 N 0.46 -0.33 -1.35 1.55 5.85 -1.98 -0.95 115.31 118.55 1h56 h LEU 6 Ca 0.06 -0.03 0.31 0.00 0.84 0.00 0.00 57.88 59.05 1h56 h LEU 6 Cb 0.73 0.09 -0.10 0.00 0.37 0.00 0.00 40.66 41.74 1h56 h LEU 6 CO 0.06 -0.18 0.70 0.78 -0.34 0.00 0.00 178.44 179.46 1h56 h ASN 7 N -0.46 0.41 -0.34 1.25 2.35 -1.61 0.46 115.58 117.64 1h56 h ASN 7 Ca -0.04 0.10 -0.06 0.00 -0.55 0.00 0.00 56.30 55.75 1h56 h ASN 7 Cb 0.35 0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 1h56 h ASN 7 CO 0.07 0.02 -0.02 0.50 -1.65 0.00 0.00 177.43 176.34 1h56 h LYS 8 N 0.32 0.62 -0.32 0.81 1.63 -1.34 -2.30 116.57 116.00 1h56 h LYS 8 Ca 0.65 -0.21 0.03 0.00 -0.85 0.00 0.00 60.65 60.28 1h56 h LYS 8 Cb 1.75 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 33.29 1h56 h LYS 8 CO -0.34 0.75 0.11 1.25 -3.45 0.00 0.00 179.45 177.78 1h56 h LEU 9 N 0.42 0.13 -1.47 5.20 5.85 0.12 -0.27 115.31 125.29 1h56 h LEU 9 Ca 0.09 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1h56 h LEU 9 Cb 0.48 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 1h56 h LEU 9 CO 0.02 0.11 0.31 -0.07 -0.34 0.00 0.00 178.44 178.48 1h56 h LEU 10 N 0.26 0.59 -0.52 2.25 -0.00 -1.21 0.22 115.31 116.90 1h56 h LEU 10 Ca 0.14 -0.02 -0.13 0.00 -0.00 0.00 0.00 57.88 57.87 1h56 h LEU 10 Cb 0.11 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 40.61 1h56 h LEU 10 CO -0.14 0.44 -0.17 -0.08 -0.00 0.00 0.00 178.44 178.48 1h56 h GLU 11 N 0.69 1.02 0.00 1.13 4.81 -0.60 -3.27 114.58 118.36 1h56 h GLU 11 Ca 0.18 -0.41 -0.19 0.00 -0.13 0.00 0.00 59.36 58.80 1h56 h GLU 11 Cb -0.05 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 1h56 h GLU 11 CO -0.04 1.10 -1.10 -0.07 -0.73 0.00 0.00 179.01 178.17 1h56 h LEU 12 N 0.89 0.00 -0.89 1.64 3.38 -0.62 -3.40 115.31 116.30 1h56 h LEU 12 Ca 0.12 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.28 1h56 h LEU 12 Cb 0.75 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.40 1h56 h LEU 12 CO 0.06 0.81 0.45 -0.25 0.09 0.00 0.00 178.44 179.60 1h56 h TRP 13 N 0.00 0.77 -0.63 1.13 2.91 -1.02 -1.77 115.95 117.35 1h56 h TRP 13 Ca -0.09 0.04 0.07 0.00 1.13 0.00 0.00 58.89 60.04 1h56 h TRP 13 Cb 1.70 -0.21 -0.04 0.00 -0.51 0.00 0.00 29.16 30.10 1h56 h TRP 13 CO 0.00 0.10 0.42 -1.35 -1.03 0.00 0.00 178.44 176.58 1h56 h PRO 14 N 0.56 0.55 0.01 2.65 0.11 -1.78 0.56 132.00 134.67 1h56 h PRO 14 Ca 0.52 -0.03 -0.20 0.00 0.11 0.00 0.00 66.00 66.40 1h56 h PRO 14 Cb 0.86 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.83 1h56 h PRO 14 CO -0.43 0.37 -0.91 0.45 -0.21 0.00 0.00 178.00 177.27 1h56 h HIS 15 N 0.57 0.23 -0.07 0.65 3.86 -1.63 -0.13 115.15 118.63 1h56 h HIS 15 Ca 0.28 -0.13 -0.01 0.00 -1.16 0.00 0.00 60.37 59.34 1h56 h HIS 15 Cb 0.36 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 28.80 1h56 h HIS 15 CO -0.00 0.98 -0.01 0.82 0.86 0.00 0.00 177.93 180.57 1h56 h ILE 16 N 0.07 1.28 -0.50 2.45 5.03 -0.69 0.29 117.51 125.44 1h56 h ILE 16 Ca -0.04 -0.88 -0.00 0.00 -0.12 0.00 0.00 64.86 63.81 1h56 h ILE 16 Cb 1.56 1.73 -0.02 0.00 -3.03 0.00 0.00 36.82 37.06 1h56 h ILE 16 CO 0.13 0.24 0.29 -0.61 -0.68 0.00 0.00 178.15 177.53 1h56 h GLN 17 N -0.19 0.68 -0.22 2.37 5.75 0.09 -0.30 115.11 123.29 1h56 h GLN 17 Ca 0.02 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 1h56 h GLN 17 Cb 0.39 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.79 1h56 h GLN 17 CO 0.01 0.51 0.15 1.49 -2.65 0.00 0.00 178.83 178.33 1h56 h GLU 18 N 0.67 0.29 -0.20 1.69 4.81 -0.91 -0.95 114.58 119.97 1h56 h GLU 18 Ca 0.18 -0.02 -0.18 0.00 -0.13 0.00 0.00 59.36 59.22 1h56 h GLU 18 Cb 0.01 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 1h56 h GLU 18 CO -0.03 0.19 -0.59 -0.92 -0.73 0.00 0.00 179.01 176.94 1h56 h TYR 19 N 0.30 0.84 -0.50 0.92 3.20 0.26 -2.54 116.97 119.45 1h56 h TYR 19 Ca 0.08 -0.31 -0.10 0.00 3.14 0.00 0.00 58.73 61.54 1h56 h TYR 19 Cb -0.03 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.07 1h56 h TYR 19 CO 0.00 1.08 -0.08 0.37 -1.64 0.00 0.00 178.16 177.89 1h56 h GLN 20 N 0.50 0.91 -0.59 1.82 5.75 0.09 -2.06 115.11 121.53 1h56 h GLN 20 Ca 0.00 -0.31 -0.05 0.00 -0.15 0.00 0.00 58.65 58.15 1h56 h GLN 20 Cb 1.16 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.61 1h56 h GLN 20 CO 0.12 0.96 0.18 -0.44 -2.65 0.00 0.00 178.83 177.00 1h56 h ASP 21 N 0.82 0.86 -0.65 -0.69 3.32 -1.17 -2.18 116.42 116.74 1h56 h ASP 21 Ca 0.14 -0.21 0.04 0.00 0.02 0.00 0.00 57.03 57.02 1h56 h ASP 21 Cb 0.60 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.88 1h56 h ASP 21 CO 0.04 0.84 0.39 0.25 -1.72 0.00 0.00 179.24 179.03 1h56 h LEU 22 N 0.84 0.61 -0.59 1.55 5.85 -1.11 -2.35 115.31 120.10 1h56 h LEU 22 Ca 0.19 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 1h56 h LEU 22 Cb 0.29 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 1h56 h LEU 22 CO -0.01 0.41 0.28 0.00 -0.34 0.00 0.00 178.44 178.79 1h56 h ALA 23 N 1.30 0.76 -0.83 1.25 0.00 -1.07 -2.93 119.26 117.74 1h56 h ALA 23 Ca 0.27 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.14 1h56 h ALA 23 Cb 0.08 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 17.57 1h56 h ALA 23 CO -0.13 0.32 0.48 -0.07 0.00 0.00 0.00 179.25 179.85 1h56 h LEU 24 N 0.80 0.70 -1.72 0.00 3.38 -0.87 0.96 115.31 118.57 1h56 h LEU 24 Ca 0.20 0.04 0.12 0.00 0.09 0.00 0.00 57.88 58.33 1h56 h LEU 24 Cb 0.12 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1h56 h LEU 24 CO -0.03 0.41 0.40 0.11 0.09 0.00 0.00 178.44 179.42 1h56 h LYS 25 N 0.82 0.30 -0.87 1.13 1.57 -1.30 -0.52 116.57 117.69 1h56 h LYS 25 Ca 0.40 -0.02 -0.33 0.00 -1.87 0.00 0.00 60.65 58.83 1h56 h LYS 25 Cb 0.34 -0.07 -0.20 0.00 0.08 0.00 0.00 32.23 32.39 1h56 h LYS 25 CO -0.24 0.20 0.42 0.72 -0.57 0.00 0.00 179.45 179.98 1h56 n HIS 26 N -4.45 2.61 -2.67 -1.35 8.25 0.28 -4.93 115.22 112.95 1h56 n HIS 26 Ca 0.10 -1.43 -0.16 0.00 -0.26 0.00 0.00 57.72 55.97 1h56 n HIS 26 Cb 0.44 -0.78 0.02 0.00 1.12 0.00 0.00 29.99 30.79 1h56 n HIS 26 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1h56 n GLY 27 N -0.53 -0.22 2.99 -1.41 0.00 -0.20 -4.72 105.19 101.09 1h56 n GLY 27 Ca 0.47 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 46.03 1h56 n GLY 27 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1h56 s ILE 28 N -2.94 1.81 0.27 -0.61 1.01 -0.87 -4.99 121.20 114.88 1h56 s ILE 28 Ca 0.16 -1.50 0.07 0.00 0.00 0.00 0.00 60.65 59.38 1h56 s ILE 28 Cb -0.07 -2.06 -0.01 0.00 0.01 0.00 0.00 42.46 40.33 1h56 s ILE 28 CO 0.20 -0.16 1.63 0.78 0.00 0.00 0.00 174.94 177.39 1h56 h ASN 29 N 7.86 0.20 -2.84 3.58 4.21 -1.91 -3.04 115.58 123.64 1h56 h ASN 29 Ca -0.17 -0.10 -0.44 0.00 1.21 0.00 0.00 56.30 56.80 1h56 h ASN 29 Cb 1.05 -0.06 -0.39 0.00 -1.12 0.00 0.00 38.32 37.80 1h56 h ASN 29 CO 0.44 0.70 -0.73 -0.62 -1.29 0.00 0.00 177.43 175.93 1h56 s ASP 30 N -6.88 2.40 0.61 5.81 -1.08 -1.26 -4.94 116.67 111.33 1h56 s ASP 30 Ca -0.04 -0.71 0.34 0.00 -0.52 0.00 0.00 52.55 51.63 1h56 s ASP 30 Cb 0.13 -0.10 2.00 0.00 -1.46 0.00 0.00 42.92 43.48 1h56 s ASP 30 CO 0.78 -0.37 2.29 0.16 0.52 0.00 0.00 175.17 178.55 1h56 h ILE 31 N 6.39 0.36 -0.86 4.11 3.07 -1.86 -1.11 117.51 127.61 1h56 h ILE 31 Ca -0.16 -0.03 -0.46 0.00 1.55 0.00 0.00 64.86 65.76 1h56 h ILE 31 Cb 1.11 1.02 -0.27 0.00 -0.27 0.00 0.00 36.82 38.42 1h56 h ILE 31 CO 0.33 0.01 0.58 0.49 -1.05 0.00 0.00 178.15 178.50 1h56 n PHE 32 N -3.59 2.67 -4.03 0.16 3.72 -1.26 -1.48 117.46 113.64 1h56 n PHE 32 Ca -0.03 -1.72 -0.13 0.00 -0.05 0.00 0.00 57.45 55.52 1h56 n PHE 32 Cb 0.09 -0.88 -0.13 0.00 -0.94 0.00 0.00 39.48 37.62 1h56 n PHE 32 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1h56 s GLN 33 N -2.87 0.35 -0.82 -1.08 -1.52 -0.42 -4.90 119.66 108.40 1h56 s GLN 33 Ca 0.50 -0.43 -0.00 0.00 -1.95 0.00 0.00 55.36 53.48 1h56 s GLN 33 Cb 0.42 -0.18 0.00 0.00 -0.22 0.00 0.00 33.01 33.03 1h56 s GLN 33 CO 0.09 0.04 0.00 -0.25 -0.25 0.00 0.00 175.29 174.92 1h56 n ASP 34 N 2.20 0.48 -3.36 5.90 8.00 -1.26 0.16 116.55 128.68 1h56 n ASP 34 Ca -0.18 -0.67 -0.24 0.00 0.71 0.00 0.00 54.79 54.40 1h56 n ASP 34 Cb 0.57 -0.84 0.04 0.00 -0.02 0.00 0.00 41.12 40.87 1h56 n ASP 34 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1h56 n ASN 35 N -1.37 -5.77 -0.30 -2.24 3.02 -1.26 -4.88 115.26 102.46 1h56 n ASN 35 Ca -0.17 -0.45 0.05 0.00 -0.03 0.00 0.00 54.58 53.98 1h56 n ASN 35 Cb 0.37 -4.62 0.19 0.00 -0.61 0.00 0.00 39.78 35.11 1h56 n ASN 35 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1h56 h GLY 36 N -1.85 1.33 2.00 7.41 0.00 0.17 -0.13 103.07 112.00 1h56 h GLY 36 Ca -0.54 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 46.49 1h56 h GLY 36 CO 0.58 0.07 0.00 0.61 0.00 0.00 0.00 176.54 177.80 1h56 n GLY 37 N -1.32 -1.34 0.09 4.60 0.00 -0.55 -3.16 105.19 103.51 1h56 n GLY 37 Ca 0.15 -0.08 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 1h56 n GLY 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1h56 n LYS 38 N -1.53 0.51 -0.07 1.61 5.02 -0.18 -4.10 118.16 119.41 1h56 n LYS 38 Ca 0.06 0.47 0.25 0.00 -2.02 0.00 0.00 58.31 57.07 1h56 n LYS 38 Cb 0.29 -1.65 0.70 0.00 -0.02 0.00 0.00 35.03 34.35 1h56 n LYS 38 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1h56 h LEU 39 N -1.00 0.00 -0.34 -0.35 5.85 -1.35 0.13 115.31 118.26 1h56 h LEU 39 Ca -0.16 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.49 1h56 h LEU 39 Cb 0.91 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 1h56 h LEU 39 CO -0.10 0.00 -0.06 0.25 -0.34 0.00 0.00 178.44 178.19 1h56 h LEU 40 N 0.00 0.63 -0.48 2.25 5.85 -1.72 -0.67 115.31 121.18 1h56 h LEU 40 Ca 0.34 -0.35 0.07 0.00 0.84 0.00 0.00 57.88 58.78 1h56 h LEU 40 Cb 1.67 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 42.46 1h56 h LEU 40 CO -0.00 0.84 0.14 1.56 -0.34 0.00 0.00 178.44 180.63 1h56 h GLN 41 N 0.42 0.29 -0.76 1.25 4.20 -0.89 0.88 115.11 120.49 1h56 h GLN 41 Ca 0.09 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 1h56 h GLN 41 Cb 0.55 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.22 1h56 h GLN 41 CO 0.03 0.19 0.47 0.28 -0.67 0.00 0.00 178.83 179.13 1h56 h VAL 42 N 0.30 1.21 -0.30 -0.54 2.07 -1.34 -1.31 116.25 116.34 1h56 h VAL 42 Ca 0.23 -0.45 -0.17 0.00 0.82 0.00 0.00 66.70 67.14 1h56 h VAL 42 Cb 0.27 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1h56 h VAL 42 CO -0.27 0.22 -0.46 -0.07 0.02 0.00 0.00 177.57 177.01 1h56 h LEU 43 N 1.04 0.93 -0.06 2.57 3.38 -0.15 -1.50 115.31 121.52 1h56 h LEU 43 Ca 0.27 -0.51 -0.08 0.00 0.09 0.00 0.00 57.88 57.65 1h56 h LEU 43 Cb -0.05 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.43 1h56 h LEU 43 CO -0.05 1.26 -0.27 -0.07 0.09 0.00 0.00 178.44 179.39 1h56 h LEU 44 N 0.62 0.34 -0.20 1.67 3.38 -0.78 0.57 115.31 120.90 1h56 h LEU 44 Ca 0.03 -0.65 -0.01 0.00 0.09 0.00 0.00 57.88 57.34 1h56 h LEU 44 Cb 1.06 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 1h56 h LEU 44 CO 0.11 0.94 0.08 0.40 0.09 0.00 0.00 178.44 180.05 1h56 h ILE 45 N -0.23 1.16 0.03 1.22 2.04 -1.34 -3.22 117.51 117.17 1h56 h ILE 45 Ca -0.02 -0.49 -0.22 0.00 1.00 0.00 0.00 64.86 65.13 1h56 h ILE 45 Cb 0.93 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 38.10 1h56 h ILE 45 CO 0.06 0.16 -1.01 0.00 0.00 0.00 0.00 178.15 177.35 1h56 h THR 46 N 0.17 1.62 0.00 -0.27 1.03 -1.35 -3.48 112.91 110.63 1h56 h THR 46 Ca 0.07 -3.15 0.00 0.00 -0.01 0.00 0.00 66.41 63.32 1h56 h THR 46 Cb 0.18 2.77 0.00 0.00 -1.07 0.00 0.00 68.15 70.03 1h56 h THR 46 CO -0.01 0.91 0.00 0.61 -0.01 0.00 0.00 175.52 177.02 1h56 n GLY 47 N 1.26 0.67 3.85 2.99 0.00 0.20 -5.04 105.19 109.11 1h56 n GLY 47 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 1h56 n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h56 s LEU 48 N 0.00 3.03 -0.13 0.99 1.43 -1.17 -4.76 118.68 118.07 1h56 s LEU 48 Ca 0.00 1.40 0.00 0.00 -1.03 0.00 0.00 54.13 54.51 1h56 s LEU 48 Cb 0.00 -4.28 -0.01 0.00 0.03 0.00 0.00 46.19 41.93 1h56 s LEU 48 CO 0.00 -1.32 -0.14 -0.89 0.23 0.00 0.00 176.35 174.23 1h56 s THR 49 N -3.17 2.93 0.02 5.49 2.01 0.63 -4.78 115.64 118.77 1h56 s THR 49 Ca 0.57 -0.71 -0.30 0.00 0.31 0.00 0.00 61.69 61.57 1h56 s THR 49 Cb -0.12 -2.22 -0.04 0.00 0.01 0.00 0.00 72.50 70.13 1h56 s THR 49 CO 0.54 0.53 1.08 0.54 -0.69 0.00 0.00 174.62 176.62 1h56 s VAL 50 N 0.34 4.48 0.01 3.82 0.11 -1.26 -1.30 120.40 126.60 1h56 s VAL 50 Ca -0.12 1.78 -0.20 0.00 -2.93 0.00 0.00 61.98 60.51 1h56 s VAL 50 Cb -0.16 -4.14 -0.06 0.00 -1.53 0.00 0.00 36.38 30.49 1h56 s VAL 50 CO 0.06 0.13 0.58 -0.76 -3.33 0.00 0.00 175.10 171.79 1h56 s LEU 51 N 1.08 4.44 0.96 2.54 1.02 0.18 -4.97 118.68 123.93 1h56 s LEU 51 Ca 0.55 1.18 -0.14 0.00 0.02 0.00 0.00 54.13 55.74 1h56 s LEU 51 Cb -0.25 -2.91 0.10 0.00 0.02 0.00 0.00 46.19 43.16 1h56 s LEU 51 CO 0.28 0.15 0.06 -0.81 0.02 0.00 0.00 176.35 176.04 1h56 n PRO 52 N 2.48 -1.68 -0.34 1.29 -0.04 -1.26 -4.80 135.00 130.64 1h56 n PRO 52 Ca -0.08 -0.50 0.02 0.00 -0.04 0.00 0.00 63.50 62.91 1h56 n PRO 52 Cb 0.51 -1.40 0.09 0.00 -0.04 0.00 0.00 33.50 32.66 1h56 n PRO 52 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1h56 h GLY 53 N -2.36 0.42 0.00 0.55 0.00 -1.97 -3.41 103.07 96.30 1h56 h GLY 53 Ca -0.27 0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1h56 h GLY 53 CO 0.17 -0.30 0.00 -2.13 0.00 0.00 0.00 176.54 174.28 1h56 n ARG 54 N -5.55 2.48 -1.06 4.80 3.00 -1.26 -4.54 116.66 114.54 1h56 n ARG 54 Ca 0.12 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 57.95 1h56 n ARG 54 Cb 0.44 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.89 1h56 n ARG 54 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1h56 n GLU 55 N 0.00 -1.08 0.00 -0.14 -0.58 -1.26 -4.66 120.64 112.91 1h56 n GLU 55 Ca 0.00 0.39 0.00 0.00 -0.42 0.00 0.00 57.16 57.13 1h56 n GLU 55 Cb 0.00 -4.26 0.00 0.00 -0.57 0.00 0.00 31.44 26.61 1h56 n GLU 55 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1h56 n GLY 56 N -0.87 0.27 3.13 0.62 0.00 -1.26 -4.75 105.19 102.33 1h56 n GLY 56 Ca -0.02 0.49 -0.37 0.00 0.00 0.00 0.00 46.02 46.11 1h56 n GLY 56 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1h56 n ASN 57 N 2.11 -4.83 -0.02 1.61 5.03 -1.26 -4.95 115.26 112.95 1h56 n ASN 57 Ca 0.00 0.42 -0.21 0.00 0.87 0.00 0.00 54.58 55.66 1h56 n ASN 57 Cb 0.00 -0.81 -0.13 0.00 -1.02 0.00 0.00 39.78 37.82 1h56 n ASN 57 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.26 175.87 1h56 h ASP 58 N -0.50 0.28 -4.58 6.41 3.32 -1.48 -3.44 116.42 116.43 1h56 h ASP 58 Ca -0.43 -0.79 -0.46 0.00 0.02 0.00 0.00 57.03 55.37 1h56 h ASP 58 Cb 1.38 -0.09 -0.14 0.00 0.22 0.00 0.00 39.33 40.70 1h56 h ASP 58 CO 0.33 1.62 -0.54 0.00 -1.72 0.00 0.00 179.24 178.93 1h56 s ALA 59 N -2.46 2.15 0.14 3.45 0.00 -0.94 0.49 121.76 124.60 1h56 s ALA 59 Ca -0.23 -1.70 -0.11 0.00 0.00 0.00 0.00 51.96 49.92 1h56 s ALA 59 Cb 0.05 1.12 0.01 0.00 0.00 0.00 0.00 23.12 24.30 1h56 s ALA 59 CO 0.72 -0.50 0.31 0.54 0.00 0.00 0.00 175.76 176.83 1h56 s VAL 60 N -3.49 0.09 0.00 0.00 0.11 -0.42 0.98 120.40 117.66 1h56 s VAL 60 Ca 0.34 -1.10 0.00 0.00 -2.93 0.00 0.00 61.98 58.28 1h56 s VAL 60 Cb 0.04 -1.53 0.00 0.00 -1.53 0.00 0.00 36.38 33.36 1h56 s VAL 60 CO 0.19 -0.39 0.00 -0.90 -3.33 0.00 0.00 175.10 170.67 1h56 n ASP 61 N -0.18 0.86 0.16 3.54 5.68 -0.60 -0.27 116.55 125.74 1h56 n ASP 61 Ca -0.12 -0.43 0.05 0.00 -0.50 0.00 0.00 54.79 53.79 1h56 n ASP 61 Cb 0.63 0.00 0.11 0.00 -1.14 0.00 0.00 41.12 40.72 1h56 n ASP 61 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 1h56 h ASN 62 N 0.00 0.00 0.80 -1.12 -0.26 -1.91 -3.07 115.58 110.03 1h56 h ASN 62 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1h56 h ASN 62 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 1h56 h ASN 62 CO 0.00 0.38 0.00 0.00 -1.06 0.00 0.00 177.43 176.75 1h56 n ALA 63 N -2.21 2.14 -0.29 -0.83 0.00 -1.26 -4.88 120.51 113.18 1h56 n ALA 63 Ca 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1h56 n ALA 63 Cb 0.66 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.71 1h56 n ALA 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h56 n GLY 64 N 1.01 0.81 3.62 0.00 0.00 -1.16 -5.03 105.19 104.44 1h56 n GLY 64 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1h56 n GLY 64 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1h56 s GLN 65 N -0.71 3.90 0.31 1.61 2.00 -1.26 -4.81 119.66 120.70 1h56 s GLN 65 Ca 0.00 0.83 -0.20 0.00 -2.00 0.00 0.00 55.36 53.99 1h56 s GLN 65 Cb 0.00 -3.82 -0.09 0.00 0.80 0.00 0.00 33.01 29.90 1h56 s GLN 65 CO 0.00 -1.12 0.81 -1.21 -0.50 0.00 0.00 175.29 173.26 1h56 s GLU 66 N 4.02 4.23 0.24 1.67 2.02 -1.26 -1.55 118.70 128.06 1h56 s GLU 66 Ca 0.46 0.93 0.04 0.00 0.02 0.00 0.00 54.97 56.43 1h56 s GLU 66 Cb -0.10 -2.59 -0.05 0.00 0.10 0.00 0.00 34.13 31.48 1h56 s GLU 66 CO 0.23 0.22 -0.02 0.71 0.02 0.00 0.00 175.26 176.42 1h56 s TYR 67 N -1.81 1.64 -0.25 1.61 1.51 0.27 -4.32 117.35 116.02 1h56 s TYR 67 Ca 0.51 -0.87 -0.07 0.00 -1.01 0.00 0.00 57.07 55.64 1h56 s TYR 67 Cb -0.14 -0.95 -0.02 0.00 -0.11 0.00 0.00 41.96 40.74 1h56 s TYR 67 CO 0.19 0.04 0.05 -1.21 -1.11 0.00 0.00 175.55 173.50 1h56 s GLU 68 N -3.83 3.58 -0.24 -0.62 0.41 -0.82 -1.26 118.70 115.91 1h56 s GLU 68 Ca 0.28 -0.52 -0.07 0.00 -0.41 0.00 0.00 54.97 54.26 1h56 s GLU 68 Cb 0.05 -3.27 -0.03 0.00 -1.78 0.00 0.00 34.13 29.11 1h56 s GLU 68 CO 0.09 -0.20 0.05 -1.17 -0.49 0.00 0.00 175.26 173.54 1h56 s LEU 69 N 1.59 3.37 0.01 1.80 2.96 -1.26 -0.06 118.68 127.09 1h56 s LEU 69 Ca 0.06 -0.22 0.07 0.00 -0.22 0.00 0.00 54.13 53.82 1h56 s LEU 69 Cb -0.15 -1.90 -0.02 0.00 0.50 0.00 0.00 46.19 44.62 1h56 s LEU 69 CO 0.02 -0.02 -0.21 -0.54 -1.32 0.00 0.00 176.35 174.28 1h56 s LYS 70 N 1.53 1.56 0.09 1.98 -0.14 -0.74 -4.95 119.74 119.07 1h56 s LYS 70 Ca 0.06 -0.84 0.03 0.00 -1.36 0.00 0.00 55.97 53.86 1h56 s LYS 70 Cb -0.15 -1.59 -0.03 0.00 -1.68 0.00 0.00 37.83 34.38 1h56 s LYS 70 CO 0.03 0.42 -0.09 -1.12 -0.76 0.00 0.00 175.35 173.83 1h56 s SER 71 N -0.81 1.26 0.08 2.83 0.01 -1.26 -0.44 113.70 115.38 1h56 s SER 71 Ca 0.08 -0.80 -0.17 0.00 1.31 0.00 0.00 55.95 56.36 1h56 s SER 71 Cb -0.08 0.03 0.04 0.00 0.21 0.00 0.00 66.02 66.21 1h56 s SER 71 CO 0.00 -0.30 0.41 0.27 0.41 0.00 0.00 173.24 174.03 1h56 s ILE 72 N -2.50 0.06 -0.51 1.44 -4.36 -0.77 -4.78 121.20 109.78 1h56 s ILE 72 Ca 0.04 -0.51 -0.15 0.00 -0.26 0.00 0.00 60.65 59.77 1h56 s ILE 72 Cb -0.02 -1.04 0.11 0.00 1.25 0.00 0.00 42.46 42.76 1h56 s ILE 72 CO -0.01 -0.28 0.44 0.21 0.24 0.00 0.00 174.94 175.54 1h56 s ASN 73 N -2.32 6.10 0.61 4.36 2.47 -1.26 -0.00 114.94 124.89 1h56 s ASN 73 Ca -0.02 -1.67 0.26 0.00 0.42 0.00 0.00 52.86 51.86 1h56 s ASN 73 Cb 0.00 -2.17 1.43 0.00 -1.45 0.00 0.00 41.25 39.06 1h56 s ASN 73 CO -0.06 -0.77 1.79 -0.29 -3.72 0.00 0.00 177.10 174.05 1h56 h ILE 74 N 5.89 0.00 -0.31 -5.21 6.09 -0.04 0.38 117.51 124.31 1h56 h ILE 74 Ca -0.28 0.00 -0.18 0.00 -1.37 0.00 0.00 64.86 63.03 1h56 h ILE 74 Cb 1.10 0.58 -0.00 0.00 0.47 0.00 0.00 36.82 38.97 1h56 h ILE 74 CO 0.96 0.00 -0.50 0.44 -3.07 0.00 0.00 178.15 175.99 1h56 h ASP 75 N 0.00 0.98 0.00 2.19 3.32 -1.92 -3.42 116.42 117.58 1h56 h ASP 75 Ca 0.00 -0.51 0.00 0.00 0.02 0.00 0.00 57.03 56.54 1h56 h ASP 75 Cb 0.69 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1h56 h ASP 75 CO 0.00 1.31 0.00 0.18 -1.72 0.00 0.00 179.24 179.01 1h56 n LEU 76 N -4.03 0.29 -4.81 1.55 4.77 0.13 -5.04 117.00 109.85 1h56 n LEU 76 Ca -0.04 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.65 1h56 n LEU 76 Cb 0.60 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.86 1h56 n LEU 76 CO 0.50 0.00 0.76 0.28 -1.33 0.00 0.00 177.39 177.60 1h56 s THR 77 N 0.00 1.92 -0.00 -5.08 -1.32 -0.90 -5.02 115.64 105.23 1h56 s THR 77 Ca 0.00 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.49 1h56 s THR 77 Cb 0.00 -2.81 0.01 0.00 -1.51 0.00 0.00 72.50 68.19 1h56 s THR 77 CO 0.00 0.00 0.66 0.29 -2.21 0.00 0.00 174.62 173.36 1h56 n LYS 78 N -3.92 0.37 -3.69 7.08 4.76 -1.26 -4.28 118.16 117.21 1h56 n LYS 78 Ca 0.11 -0.76 -0.10 0.00 -2.87 0.00 0.00 58.31 54.69 1h56 n LYS 78 Cb 0.60 -0.58 -0.10 0.00 -1.84 0.00 0.00 35.03 33.10 1h56 n LYS 78 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1h56 s GLY 79 N -0.36 -0.37 0.19 0.72 0.00 -1.26 -1.18 107.32 105.06 1h56 s GLY 79 Ca 0.01 1.63 -0.30 0.00 0.00 0.00 0.00 44.72 46.06 1h56 s GLY 79 CO 0.00 1.73 1.22 -1.36 0.00 0.00 0.00 173.10 174.69 1h56 s PHE 80 N 1.32 3.38 0.98 1.90 0.40 -0.11 -4.69 117.98 121.16 1h56 s PHE 80 Ca -0.09 1.38 -0.15 0.00 -0.60 0.00 0.00 56.93 57.48 1h56 s PHE 80 Cb -0.07 -3.48 0.18 0.00 0.51 0.00 0.00 43.02 40.16 1h56 s PHE 80 CO -0.12 -1.37 1.18 -1.12 0.70 0.00 0.00 175.22 174.48 1h56 s SER 81 N 0.13 2.92 0.00 1.36 0.01 -1.26 -1.24 113.70 115.63 1h56 s SER 81 Ca 0.53 0.73 0.00 0.00 1.31 0.00 0.00 55.95 58.53 1h56 s SER 81 Cb -0.34 -1.12 0.00 0.00 0.21 0.00 0.00 66.02 64.78 1h56 s SER 81 CO 0.38 -2.89 0.00 0.35 0.41 0.00 0.00 173.24 171.48 1h56 n THR 82 N -3.95 0.00 -3.67 1.44 -2.24 -1.20 -4.83 114.28 99.82 1h56 n THR 82 Ca 0.10 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.78 1h56 n THR 82 Cb 0.59 -0.19 -0.09 0.00 -2.10 0.00 0.00 70.33 68.54 1h56 n THR 82 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1h56 s HIS 83 N -0.07 -0.77 0.21 4.78 2.46 -1.26 -5.05 115.29 115.59 1h56 s HIS 83 Ca 0.00 1.64 0.32 0.00 0.47 0.00 0.00 55.06 57.49 1h56 s HIS 83 Cb 0.00 0.38 1.38 0.00 -0.13 0.00 0.00 32.58 34.21 1h56 s HIS 83 CO 0.00 -0.40 2.00 0.45 -2.47 0.00 0.00 174.74 174.32 1h56 h HIS 84 N 6.57 0.00 -1.21 3.88 3.86 -1.92 -1.58 115.15 124.75 1h56 h HIS 84 Ca -0.32 0.00 -0.58 0.00 -1.16 0.00 0.00 60.37 58.31 1h56 h HIS 84 Cb 1.20 0.00 -0.42 0.00 1.06 0.00 0.00 27.41 29.25 1h56 h HIS 84 CO 0.22 0.07 -0.71 0.72 0.86 0.00 0.00 177.93 179.09 1h56 n HIS 85 N -3.25 3.14 -1.56 2.45 8.25 -1.26 -3.32 115.22 119.68 1h56 n HIS 85 Ca -0.00 -2.74 -0.45 0.00 -0.26 0.00 0.00 57.72 54.27 1h56 n HIS 85 Cb 0.30 -0.22 -0.02 0.00 1.12 0.00 0.00 29.99 31.17 1h56 n HIS 85 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 1h56 n MET 86 N -0.58 1.13 -3.63 -0.41 0.00 -1.03 -4.77 117.12 107.82 1h56 n MET 86 Ca 0.42 0.40 -0.06 0.00 0.00 0.00 0.00 57.70 58.45 1h56 n MET 86 Cb 0.78 -1.72 -0.02 0.00 0.00 0.00 0.00 33.22 32.26 1h56 n MET 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1h56 s ASN 87 N -0.64 -0.28 0.54 6.12 2.20 -1.26 -2.56 114.94 119.05 1h56 s ASN 87 Ca 0.60 -0.22 0.33 0.00 -0.94 0.00 0.00 52.86 52.63 1h56 s ASN 87 Cb -0.72 0.46 1.50 0.00 -2.00 0.00 0.00 41.25 40.49 1h56 s ASN 87 CO 0.59 -0.80 1.85 -0.65 -2.94 0.00 0.00 177.10 175.15 1h56 h PRO 88 N 2.00 0.01 -0.06 3.55 0.11 -1.94 0.36 132.00 136.04 1h56 h PRO 88 Ca -0.24 -0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.68 1h56 h PRO 88 Cb 1.24 -0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.36 1h56 h PRO 88 CO 0.28 0.01 -0.70 0.28 -0.21 0.00 0.00 178.00 177.66 1h56 h VAL 89 N 0.01 1.35 -0.28 3.15 2.07 -1.97 -0.96 116.25 119.62 1h56 h VAL 89 Ca 0.49 -2.01 -0.03 0.00 0.82 0.00 0.00 66.70 65.97 1h56 h VAL 89 Cb 1.95 2.30 -0.01 0.00 -1.52 0.00 0.00 31.29 34.01 1h56 h VAL 89 CO -0.01 0.61 0.05 0.40 0.02 0.00 0.00 177.57 178.64 1h56 h ILE 90 N 0.20 1.22 -0.61 4.57 1.08 -1.51 -1.69 117.51 120.78 1h56 h ILE 90 Ca -0.07 -0.75 0.06 0.00 -0.39 0.00 0.00 64.86 63.70 1h56 h ILE 90 Cb 1.36 1.19 -0.04 0.00 -3.07 0.00 0.00 36.82 36.27 1h56 h ILE 90 CO 0.14 0.24 0.40 0.40 -0.69 0.00 0.00 178.15 178.65 1h56 h ILE 91 N 0.27 1.01 -0.48 -0.67 2.04 -1.01 -0.09 117.51 118.58 1h56 h ILE 91 Ca 0.09 -0.21 -0.06 0.00 1.00 0.00 0.00 64.86 65.68 1h56 h ILE 91 Cb 0.31 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 1h56 h ILE 91 CO 0.00 0.11 0.06 0.00 0.00 0.00 0.00 178.15 178.33 1h56 h ALA 92 N 1.67 0.64 -0.44 1.87 0.00 -0.69 -1.69 119.26 120.62 1h56 h ALA 92 Ca 0.26 -0.24 0.07 0.00 0.00 0.00 0.00 54.91 54.99 1h56 h ALA 92 Cb 0.25 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 1h56 h ALA 92 CO -0.08 0.39 0.12 0.87 0.00 0.00 0.00 179.25 180.55 1h56 h LYS 93 N 0.68 0.26 -0.33 0.00 1.57 -0.15 -3.14 116.57 115.46 1h56 h LYS 93 Ca 0.14 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1h56 h LYS 93 Cb 0.42 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 1h56 h LYS 93 CO 0.01 0.17 0.19 1.88 -0.57 0.00 0.00 179.45 181.14 1h56 h TYR 94 N 0.27 0.45 -0.04 -1.35 -1.99 -0.82 -3.10 116.97 110.38 1h56 h TYR 94 Ca 0.21 -0.01 0.01 0.00 2.00 0.00 0.00 58.73 60.95 1h56 h TYR 94 Cb 0.25 -0.15 -0.00 0.00 2.00 0.00 0.00 36.73 38.83 1h56 h TYR 94 CO -0.19 0.34 0.17 0.00 -0.00 0.00 0.00 178.16 178.49 1h56 h ARG 95 N 0.42 0.00 0.00 4.88 3.08 -1.27 -2.56 114.38 118.93 1h56 h ARG 95 Ca 0.12 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.07 1h56 h ARG 95 Cb 0.04 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1h56 h ARG 95 CO -0.02 0.00 -0.49 1.96 -1.07 0.00 0.00 179.97 180.35 1h56 h GLN 96 N 0.00 0.00 -5.22 0.04 1.08 -1.63 -3.44 115.11 105.94 1h56 h GLN 96 Ca 0.02 0.00 -0.37 0.00 -1.45 0.00 0.00 58.65 56.85 1h56 h GLN 96 Cb 0.35 0.00 -0.15 0.00 -0.05 0.00 0.00 27.48 27.63 1h56 h GLN 96 CO -0.00 0.49 -0.73 0.14 -0.95 0.00 0.00 178.83 177.78 1h56 s VAL 97 N -3.74 1.29 0.50 -0.54 -7.23 -0.97 -5.02 120.40 104.70 1h56 s VAL 97 Ca -0.01 -1.99 -0.17 0.00 -1.81 0.00 0.00 61.98 57.99 1h56 s VAL 97 Cb 0.13 -1.79 -0.08 0.00 0.56 0.00 0.00 36.38 35.20 1h56 s VAL 97 CO 0.73 -0.64 0.99 -2.16 -0.31 0.00 0.00 175.10 173.70 1h56 s PRO 98 N -3.45 3.95 -0.07 4.82 0.04 -1.26 -4.39 135.00 134.63 1h56 s PRO 98 Ca 0.15 1.01 -0.00 0.00 0.04 0.00 0.00 61.00 62.21 1h56 s PRO 98 Cb 0.00 -2.13 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 1h56 s PRO 98 CO 0.02 -0.27 -0.04 -1.58 0.04 0.00 0.00 177.00 175.17 1h56 s TRP 99 N -2.52 3.02 -0.18 0.56 0.52 -0.42 -1.95 118.94 117.97 1h56 s TRP 99 Ca 0.60 0.08 -0.07 0.00 0.02 0.00 0.00 56.10 56.73 1h56 s TRP 99 Cb -0.10 -1.73 -0.04 0.00 -1.15 0.00 0.00 33.47 30.44 1h56 s TRP 99 CO 0.28 0.38 0.06 0.42 0.02 0.00 0.00 176.95 178.11 1h56 s ILE 100 N -0.85 4.76 -0.29 2.03 -1.09 0.92 -0.97 121.20 125.71 1h56 s ILE 100 Ca 0.13 -0.05 -0.02 0.00 -2.23 0.00 0.00 60.65 58.48 1h56 s ILE 100 Cb -0.11 -3.13 0.04 0.00 -1.58 0.00 0.00 42.46 37.68 1h56 s ILE 100 CO 0.02 0.47 -0.01 -0.36 -1.23 0.00 0.00 174.94 173.84 1h56 s PHE 101 N 0.28 3.21 -0.31 3.97 0.08 0.10 -1.78 117.98 123.53 1h56 s PHE 101 Ca 0.03 -1.74 -0.14 0.00 0.12 0.00 0.00 56.93 55.20 1h56 s PHE 101 Cb -0.12 -2.11 -0.03 0.00 -0.57 0.00 0.00 43.02 40.19 1h56 s PHE 101 CO 0.00 -0.77 0.34 0.00 -0.10 0.00 0.00 175.22 174.69 1h56 s ALA 102 N 1.29 3.52 -0.41 5.36 0.00 0.42 -1.57 121.76 130.37 1h56 s ALA 102 Ca -0.04 -1.06 -0.10 0.00 0.00 0.00 0.00 51.96 50.76 1h56 s ALA 102 Cb -0.19 -2.73 0.07 0.00 0.00 0.00 0.00 23.12 20.27 1h56 s ALA 102 CO -0.01 -0.85 0.26 0.42 0.00 0.00 0.00 175.76 175.58 1h56 s ILE 103 N 1.99 4.42 0.13 0.00 1.01 -0.82 -1.85 121.20 126.09 1h56 s ILE 103 Ca 0.12 -1.23 -0.04 0.00 0.00 0.00 0.00 60.65 59.50 1h56 s ILE 103 Cb -0.16 -3.64 -0.05 0.00 0.01 0.00 0.00 42.46 38.61 1h56 s ILE 103 CO 0.11 -0.45 0.35 -0.31 0.00 0.00 0.00 174.94 174.65 1h56 s TYR 104 N 1.48 3.48 -0.44 3.97 2.02 0.99 -0.69 117.35 128.17 1h56 s TYR 104 Ca 0.03 0.52 0.02 0.00 -0.37 0.00 0.00 57.07 57.27 1h56 s TYR 104 Cb -0.22 -1.98 0.14 0.00 -0.40 0.00 0.00 41.96 39.50 1h56 s TYR 104 CO 0.04 0.46 0.27 0.50 -1.57 0.00 0.00 175.55 175.24 1h56 s ARG 105 N -2.60 1.21 2.69 -0.62 3.52 0.34 0.58 118.95 124.07 1h56 s ARG 105 Ca 0.40 -2.01 0.00 0.00 -0.13 0.00 0.00 55.73 53.99 1h56 s ARG 105 Cb -0.12 -2.14 0.00 0.00 -1.56 0.00 0.00 34.95 31.13 1h56 s ARG 105 CO 0.25 -1.21 0.00 0.41 -0.81 0.00 0.00 175.30 173.94 1h56 n GLY 106 N 3.42 0.66 0.80 8.12 0.00 -1.26 -3.45 105.19 113.48 1h56 n GLY 106 Ca 0.13 -1.13 0.10 0.00 0.00 0.00 0.00 46.02 45.11 1h56 n GLY 106 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1h56 n ILE 107 N 0.00 0.41 -5.20 -0.61 -5.35 -1.26 -4.90 119.36 102.45 1h56 n ILE 107 Ca 0.00 -0.53 -0.30 0.00 -0.27 0.00 0.00 62.75 61.65 1h56 n ILE 107 Cb 0.00 0.50 -0.16 0.00 -1.74 0.00 0.00 39.64 38.24 1h56 n ILE 107 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1h56 s ALA 108 N -1.59 2.02 0.74 -1.28 0.00 -1.22 -4.74 121.76 115.70 1h56 s ALA 108 Ca 0.33 -1.02 -0.15 0.00 0.00 0.00 0.00 51.96 51.13 1h56 s ALA 108 Cb 0.18 -0.57 0.05 0.00 0.00 0.00 0.00 23.12 22.78 1h56 s ALA 108 CO 0.26 0.45 1.21 0.42 0.00 0.00 0.00 175.76 178.10 1h56 s ILE 109 N -0.38 2.25 0.00 0.00 1.09 -1.26 -0.51 121.20 122.39 1h56 s ILE 109 Ca 0.04 0.12 0.00 0.00 -1.10 0.00 0.00 60.65 59.71 1h56 s ILE 109 Cb -0.11 -2.68 0.00 0.00 -1.06 0.00 0.00 42.46 38.61 1h56 s ILE 109 CO 0.01 -0.07 0.00 1.21 -0.10 0.00 0.00 174.94 175.99 1h56 n GLU 110 N -2.80 0.00 -3.52 2.79 2.13 0.14 -4.70 120.64 114.68 1h56 n GLU 110 Ca 0.13 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.81 1h56 n GLU 110 Cb 0.50 -0.87 -0.05 0.00 0.27 0.00 0.00 31.44 31.30 1h56 n GLU 110 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1h56 s ALA 111 N -1.93 -1.55 -0.05 4.31 0.00 -1.17 -5.05 121.76 116.33 1h56 s ALA 111 Ca 0.00 0.83 0.01 0.00 0.00 0.00 0.00 51.96 52.79 1h56 s ALA 111 Cb 0.00 0.38 0.02 0.00 0.00 0.00 0.00 23.12 23.52 1h56 s ALA 111 CO 0.00 -0.52 -0.04 0.42 0.00 0.00 0.00 175.76 175.62 1h56 s ILE 112 N -2.33 0.50 0.26 0.00 1.01 0.77 -1.94 121.20 119.48 1h56 s ILE 112 Ca -0.06 -0.08 0.10 0.00 0.00 0.00 0.00 60.65 60.61 1h56 s ILE 112 Cb -0.01 -0.54 -0.05 0.00 0.01 0.00 0.00 42.46 41.87 1h56 s ILE 112 CO -0.00 0.22 -0.15 -0.31 0.00 0.00 0.00 174.94 174.70 1h56 s TYR 113 N 1.03 2.07 -0.03 3.97 2.02 -0.61 0.54 117.35 126.33 1h56 s TYR 113 Ca -0.09 -0.47 0.02 0.00 -0.37 0.00 0.00 57.07 56.15 1h56 s TYR 113 Cb -0.14 -0.98 0.01 0.00 -0.40 0.00 0.00 41.96 40.45 1h56 s TYR 113 CO -0.01 0.53 -0.09 0.50 -1.57 0.00 0.00 175.55 174.92 1h56 s ARG 114 N -3.59 1.05 0.01 -0.62 3.52 -0.26 0.00 118.95 119.06 1h56 s ARG 114 Ca 0.28 -0.29 0.08 0.00 -0.13 0.00 0.00 55.73 55.66 1h56 s ARG 114 Cb -0.02 -0.96 -0.03 0.00 -1.56 0.00 0.00 34.95 32.38 1h56 s ARG 114 CO 0.12 0.07 -0.22 -0.51 -0.81 0.00 0.00 175.30 173.95 1h56 s LEU 115 N 0.37 2.34 0.12 -0.88 2.01 -0.14 -1.51 118.68 120.98 1h56 s LEU 115 Ca -0.06 -0.46 -0.03 0.00 0.01 0.00 0.00 54.13 53.60 1h56 s LEU 115 Cb -0.11 -1.40 -0.05 0.00 0.01 0.00 0.00 46.19 44.64 1h56 s LEU 115 CO 0.01 0.29 0.32 -1.61 1.01 0.00 0.00 176.35 176.37 1h56 s GLU 116 N -1.05 3.55 0.33 1.70 0.41 -1.26 -1.31 118.70 121.07 1h56 s GLU 116 Ca 0.12 -0.23 0.10 0.00 -0.41 0.00 0.00 54.97 54.55 1h56 s GLU 116 Cb -0.10 -2.91 0.99 0.00 -1.78 0.00 0.00 34.13 30.33 1h56 s GLU 116 CO 0.02 0.51 1.58 -1.35 -0.49 0.00 0.00 175.26 175.53 1h56 h PRO 117 N 2.86 0.03 -0.76 0.39 0.11 -1.85 1.24 132.00 134.01 1h56 h PRO 117 Ca -0.46 -0.00 0.18 0.00 0.11 0.00 0.00 66.00 65.83 1h56 h PRO 117 Cb 1.16 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.22 1h56 h PRO 117 CO 0.74 0.02 0.52 -0.22 -0.21 0.00 0.00 178.00 178.85 1h56 h LYS 118 N 0.03 0.27 0.00 1.05 1.63 -1.93 0.19 116.57 117.82 1h56 h LYS 118 Ca 0.70 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 60.48 1h56 h LYS 118 Cb 1.63 -0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 33.20 1h56 h LYS 118 CO -0.83 0.18 -0.01 -0.44 -3.45 0.00 0.00 179.45 174.90 1h56 h ASP 119 N 0.28 0.00 -0.01 4.20 3.32 0.12 -3.01 116.42 121.32 1h56 h ASP 119 Ca 0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.43 1h56 h ASP 119 Cb 1.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.62 1h56 h ASP 119 CO -0.10 0.01 -0.05 0.18 -1.72 0.00 0.00 179.24 177.56 1h56 n LEU 120 N -3.10 1.91 -0.31 1.55 4.77 0.04 -4.53 117.00 117.33 1h56 n LEU 120 Ca 0.02 -0.95 0.14 0.00 -0.03 0.00 0.00 56.01 55.19 1h56 n LEU 120 Cb 0.42 0.00 0.32 0.00 -2.33 0.00 0.00 43.42 41.83 1h56 n LEU 120 CO 0.31 0.36 1.03 -0.08 -1.33 0.00 0.00 177.39 177.68 1h56 h GLU 121 N 2.24 0.34 -0.64 3.23 4.57 -0.58 -0.14 114.58 123.61 1h56 h GLU 121 Ca 0.00 -0.02 0.08 0.00 -1.18 0.00 0.00 59.36 58.24 1h56 h GLU 121 Cb 0.50 -0.08 -0.07 0.00 -0.16 0.00 0.00 28.75 28.95 1h56 h GLU 121 CO 0.00 0.23 0.30 0.35 -1.18 0.00 0.00 179.01 178.71 1h56 h PHE 122 N 0.35 0.54 0.04 0.92 3.57 -1.80 -2.56 116.94 118.00 1h56 h PHE 122 Ca 0.57 0.03 -0.22 0.00 3.53 0.00 0.00 57.97 61.88 1h56 h PHE 122 Cb 1.13 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 1h56 h PHE 122 CO -0.15 0.20 -1.01 1.88 -2.23 0.00 0.00 178.31 176.99 1h56 h TYR 123 N 0.53 0.27 0.36 0.41 0.05 -1.38 -3.19 116.97 114.03 1h56 h TYR 123 Ca 0.31 -0.18 -0.02 0.00 0.05 0.00 0.00 58.73 58.90 1h56 h TYR 123 Cb 0.32 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.04 1h56 h TYR 123 CO -0.12 1.07 -0.17 1.88 -1.05 0.00 0.00 178.16 179.76 1h56 h TYR 124 N 0.07 -0.45 -0.27 4.88 0.05 -0.99 -2.29 116.97 117.97 1h56 h TYR 124 Ca -0.06 -0.01 0.06 0.00 0.05 0.00 0.00 58.73 58.77 1h56 h TYR 124 Cb 1.70 0.15 -0.06 0.00 1.01 0.00 0.00 36.73 39.53 1h56 h TYR 124 CO 0.03 -0.17 -0.12 -0.44 -1.05 0.00 0.00 178.16 176.41 1h56 h ASP 125 N -0.69 -0.41 -0.89 3.88 3.32 -1.60 -0.64 116.42 119.39 1h56 h ASP 125 Ca -0.05 0.10 0.17 0.00 0.02 0.00 0.00 57.03 57.28 1h56 h ASP 125 Cb 0.49 0.23 -0.10 0.00 0.22 0.00 0.00 39.33 40.16 1h56 h ASP 125 CO 0.08 -0.15 0.46 0.50 -1.72 0.00 0.00 179.24 178.41 1h56 h LYS 126 N -0.08 0.58 0.11 3.56 3.64 -1.53 -1.09 116.57 121.76 1h56 h LYS 126 Ca 0.14 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1h56 h LYS 126 Cb 0.29 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1h56 h LYS 126 CO -0.32 0.38 -0.05 -1.49 -2.27 0.00 0.00 179.45 175.70 1h56 h TRP 127 N 0.59 -0.14 -0.57 1.91 6.55 -0.68 -2.51 115.95 121.10 1h56 h TRP 127 Ca 0.51 -0.00 0.11 0.00 0.95 0.00 0.00 58.89 60.46 1h56 h TRP 127 Cb 0.81 0.05 -0.11 0.00 -0.86 0.00 0.00 29.16 29.04 1h56 h TRP 127 CO -0.09 0.29 -0.15 1.49 -1.05 0.00 0.00 178.44 178.93 1h56 h GLU 128 N -0.62 -0.00 -0.67 0.49 4.81 -0.65 0.33 114.58 118.27 1h56 h GLU 128 Ca -0.02 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.25 1h56 h GLU 128 Cb 0.49 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.82 1h56 h GLU 128 CO 0.03 -0.00 0.40 0.00 -0.73 0.00 0.00 179.01 178.70 1h56 h ARG 129 N -0.00 0.74 -0.25 1.92 3.08 -1.25 -2.42 114.38 116.20 1h56 h ARG 129 Ca 0.27 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 60.17 1h56 h ARG 129 Cb 0.42 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 1h56 h ARG 129 CO -0.59 0.49 -0.32 -0.22 -1.07 0.00 0.00 179.97 178.26 1h56 h LYS 130 N 0.76 0.52 -0.86 0.04 3.64 -0.48 -1.17 116.57 119.02 1h56 h LYS 130 Ca 0.28 -0.23 0.07 0.00 -1.27 0.00 0.00 60.65 59.51 1h56 h LYS 130 Cb 0.08 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.83 1h56 h LYS 130 CO -0.13 0.78 0.56 2.35 -2.27 0.00 0.00 179.45 180.74 1h56 h TRP 131 N 0.45 0.96 0.00 1.91 7.01 0.03 -2.58 115.95 123.73 1h56 h TRP 131 Ca 0.05 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.08 1h56 h TRP 131 Cb 0.77 -0.31 0.00 0.00 -2.10 0.00 0.00 29.16 27.52 1h56 h TRP 131 CO 0.03 0.48 -0.01 1.88 -2.79 0.00 0.00 178.44 178.03 1h56 h TYR 132 N 0.93 0.00 0.00 2.65 0.05 -1.25 -2.12 116.97 117.22 1h56 h TYR 132 Ca 0.38 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.16 1h56 h TYR 132 Cb 0.27 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.01 1h56 h TYR 132 CO -0.00 0.00 0.08 -1.13 -1.05 0.00 0.00 178.16 176.06 1h56 n SER 133 N -4.63 0.00 -1.15 3.88 3.41 -0.47 0.15 113.62 114.81 1h56 n SER 133 Ca -0.00 0.16 0.09 0.00 -0.26 0.00 0.00 58.87 58.86 1h56 n SER 133 Cb 0.01 -0.16 0.27 0.00 -0.26 0.00 0.00 64.21 64.07 1h56 n SER 133 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1h56 n ASP 134 N -1.08 3.82 -2.48 4.04 9.92 -0.97 -4.96 116.55 124.84 1h56 n ASP 134 Ca 0.00 -2.17 -0.09 0.00 -0.53 0.00 0.00 54.79 51.99 1h56 n ASP 134 Cb 0.08 -0.43 0.04 0.00 -0.64 0.00 0.00 41.12 40.17 1h56 n ASP 134 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1h56 n GLY 135 N 1.02 -0.20 3.66 0.44 0.00 0.39 -4.01 105.19 106.49 1h56 n GLY 135 Ca 0.21 0.10 -0.27 0.00 0.00 0.00 0.00 46.02 46.06 1h56 n GLY 135 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1h56 n HIS 136 N -2.62 -1.95 -4.86 1.61 8.25 -0.86 -5.00 115.22 109.79 1h56 n HIS 136 Ca -0.09 0.61 -0.33 0.00 -0.26 0.00 0.00 57.72 57.66 1h56 n HIS 136 Cb 0.58 -3.75 -0.14 0.00 1.12 0.00 0.00 29.99 27.80 1h56 n HIS 136 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1h56 s LYS 137 N -5.83 3.12 -0.26 -0.41 2.36 -0.85 -5.04 119.74 112.82 1h56 s LYS 137 Ca 0.33 -0.71 -0.29 0.00 -2.55 0.00 0.00 55.97 52.75 1h56 s LYS 137 Cb -0.10 -2.52 -0.02 0.00 -1.05 0.00 0.00 37.83 34.13 1h56 s LYS 137 CO 0.84 0.31 1.69 -0.51 1.55 0.00 0.00 175.35 179.24 1h56 s ASP 138 N 0.08 6.18 0.01 1.43 1.11 -1.26 -4.58 116.67 119.64 1h56 s ASP 138 Ca -0.06 1.49 -0.30 0.00 0.18 0.00 0.00 52.55 53.86 1h56 s ASP 138 Cb -0.15 -2.53 -0.07 0.00 1.07 0.00 0.00 42.92 41.24 1h56 s ASP 138 CO 0.05 -1.45 1.73 -0.63 1.18 0.00 0.00 175.17 176.05 1h56 s ILE 139 N 5.89 3.24 -0.56 0.77 1.01 -1.06 -4.71 121.20 125.79 1h56 s ILE 139 Ca 0.75 0.46 -0.27 0.00 0.00 0.00 0.00 60.65 61.59 1h56 s ILE 139 Cb -0.24 -3.30 -0.01 0.00 0.01 0.00 0.00 42.46 38.92 1h56 s ILE 139 CO 0.32 -0.03 1.71 0.21 0.00 0.00 0.00 174.94 177.15 1h56 s ASN 140 N 3.25 5.63 -0.86 3.58 2.47 -1.25 -2.47 114.94 125.28 1h56 s ASN 140 Ca 0.77 0.46 -0.19 0.00 0.42 0.00 0.00 52.86 54.32 1h56 s ASN 140 Cb -0.38 -2.53 0.03 0.00 -1.45 0.00 0.00 41.25 36.91 1h56 s ASN 140 CO 0.33 -2.07 0.51 -3.20 -3.72 0.00 0.00 177.10 168.96 1h56 n ASN 141 N 11.39 -3.38 -4.75 -4.21 5.15 -0.60 -4.91 115.26 113.95 1h56 n ASN 141 Ca 0.18 -0.96 -0.35 0.00 -0.60 0.00 0.00 54.58 52.85 1h56 n ASN 141 Cb 0.50 -1.24 0.05 0.00 -0.53 0.00 0.00 39.78 38.56 1h56 n ASN 141 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1h56 s PRO 142 N -6.16 2.81 0.34 1.20 0.04 -1.26 -4.60 135.00 127.37 1h56 s PRO 142 Ca 0.27 1.79 0.09 0.00 0.04 0.00 0.00 61.00 63.19 1h56 s PRO 142 Cb -0.15 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 1h56 s PRO 142 CO 0.75 -1.32 0.04 0.15 0.04 0.00 0.00 177.00 176.65 1h56 s LYS 143 N -3.48 2.13 -0.22 4.56 1.02 -1.26 -3.26 119.74 119.23 1h56 s LYS 143 Ca 0.76 -1.72 -0.00 0.00 0.02 0.00 0.00 55.97 55.03 1h56 s LYS 143 Cb -0.30 -1.97 0.02 0.00 -0.52 0.00 0.00 37.83 35.07 1h56 s LYS 143 CO 0.36 0.12 -0.12 0.42 -0.92 0.00 0.00 175.35 175.21 1h56 s ILE 144 N -2.51 2.50 0.25 2.17 1.01 -0.37 -4.91 121.20 119.34 1h56 s ILE 144 Ca 0.35 -1.01 -0.31 0.00 0.00 0.00 0.00 60.65 59.68 1h56 s ILE 144 Cb -0.00 -2.20 -0.12 0.00 0.01 0.00 0.00 42.46 40.15 1h56 s ILE 144 CO 0.20 0.33 1.64 -0.81 0.00 0.00 0.00 174.94 176.30 1h56 n PRO 145 N 4.63 2.67 -0.17 2.79 -0.04 -1.26 -0.93 135.00 142.69 1h56 n PRO 145 Ca -0.18 0.96 0.20 0.00 -0.04 0.00 0.00 63.50 64.44 1h56 n PRO 145 Cb 0.48 -2.76 0.59 0.00 -0.04 0.00 0.00 33.50 31.77 1h56 n PRO 145 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1h56 h VAL 146 N 3.53 0.69 -0.73 0.52 2.07 -1.53 0.13 116.25 120.93 1h56 h VAL 146 Ca -0.45 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 66.99 1h56 h VAL 146 Cb 1.22 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 1h56 h VAL 146 CO 0.86 0.05 0.49 0.11 0.02 0.00 0.00 177.57 179.09 1h56 h LYS 147 N 0.25 0.95 0.48 1.57 6.56 -1.90 -2.53 116.57 121.95 1h56 h LYS 147 Ca 0.40 -0.06 -0.02 0.00 -1.06 0.00 0.00 60.65 59.90 1h56 h LYS 147 Cb 1.17 -0.21 0.00 0.00 -0.57 0.00 0.00 32.23 32.62 1h56 h LYS 147 CO -0.10 0.63 -0.23 -0.92 -2.06 0.00 0.00 179.45 176.77 1h56 h TYR 148 N 0.98 -0.60 -0.20 -1.35 5.03 -1.10 -1.89 116.97 117.85 1h56 h TYR 148 Ca 0.27 -0.01 0.06 0.00 2.58 0.00 0.00 58.73 61.62 1h56 h TYR 148 Cb -0.09 0.20 -0.01 0.00 1.55 0.00 0.00 36.73 38.38 1h56 h TYR 148 CO -0.00 -0.27 0.20 -0.39 -1.32 0.00 0.00 178.16 176.38 1h56 h VAL 149 N -0.93 0.52 0.16 1.81 -1.51 -1.47 0.90 116.25 115.74 1h56 h VAL 149 Ca -0.07 0.00 -0.22 0.00 -1.23 0.00 0.00 66.70 65.19 1h56 h VAL 149 Cb 0.59 0.84 0.03 0.00 -2.13 0.00 0.00 31.29 30.62 1h56 h VAL 149 CO 0.11 0.00 -0.95 0.24 -1.23 0.00 0.00 177.57 175.74 1h56 h MET 150 N 0.00 0.35 -0.33 5.19 2.86 -1.36 -0.12 114.93 121.51 1h56 h MET 150 Ca 0.09 -0.60 -0.08 0.00 -2.06 0.00 0.00 59.70 57.05 1h56 h MET 150 Cb 0.50 0.22 -0.02 0.00 0.06 0.00 0.00 31.60 32.36 1h56 h MET 150 CO -0.00 1.29 -0.14 0.93 1.06 0.00 0.00 176.91 180.04 1h56 h GLU 151 N -0.27 0.59 -0.00 1.72 5.08 -0.44 -3.30 114.58 117.96 1h56 h GLU 151 Ca -0.16 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1h56 h GLU 151 Cb 1.75 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.95 1h56 h GLU 151 CO 0.18 0.71 -0.59 0.72 -1.00 0.00 0.00 179.01 179.03 1h56 n HIS 152 N -4.17 0.00 -4.10 4.33 8.25 0.21 -5.04 115.22 114.70 1h56 n HIS 152 Ca 0.01 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.20 1h56 n HIS 152 Cb 0.35 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.40 1h56 n HIS 152 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1h56 s GLY 153 N -2.24 1.74 -0.30 -1.41 0.00 -0.06 -4.91 107.32 100.14 1h56 s GLY 153 Ca 0.08 -1.23 -0.27 0.00 0.00 0.00 0.00 44.72 43.31 1h56 s GLY 153 CO 0.54 -1.23 0.95 -1.59 0.00 0.00 0.00 173.10 171.77 1h56 s THR 154 N -1.72 4.65 -0.21 0.90 2.01 -0.57 -4.77 115.64 115.93 1h56 s THR 154 Ca 0.30 1.54 -0.29 0.00 0.31 0.00 0.00 61.69 63.55 1h56 s THR 154 Cb -0.10 -4.29 -0.02 0.00 0.01 0.00 0.00 72.50 68.09 1h56 s THR 154 CO 0.22 -0.35 1.56 -0.75 -0.69 0.00 0.00 174.62 174.61 1h56 s LYS 155 N 3.31 3.88 0.00 4.92 2.20 -1.26 -1.10 119.74 131.69 1h56 s LYS 155 Ca 0.40 1.67 0.22 0.00 -0.36 0.00 0.00 55.97 57.89 1h56 s LYS 155 Cb -0.13 -3.99 -0.22 0.00 -1.51 0.00 0.00 37.83 31.98 1h56 s LYS 155 CO 0.13 -1.18 0.73 0.44 -0.36 0.00 0.00 175.35 175.11 1h56 n ILE 156 N 6.21 0.06 -1.63 5.43 -5.35 0.19 -4.98 119.36 119.29 1h56 n ILE 156 Ca 0.18 -0.31 0.00 0.00 -0.27 0.00 0.00 62.75 62.35 1h56 n ILE 156 Cb 0.45 0.31 0.00 0.00 -1.74 0.00 0.00 39.64 38.67 1h56 n ILE 156 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79