#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ni0 s HIS 3 N 0.00 1.02 -0.10 1.43 -0.00 -1.26 -5.11 115.29 111.27 1ni0 s HIS 3 Ca 0.00 -0.76 -0.35 0.00 -0.00 0.00 0.00 55.06 53.95 1ni0 s HIS 3 Cb 0.00 -0.56 -0.12 0.00 -0.00 0.00 0.00 32.58 31.90 1ni0 s HIS 3 CO 0.00 -0.04 1.86 -2.30 -0.00 0.00 0.00 174.74 174.25 1ni0 n PRO 4 N 0.24 2.06 -3.17 -0.38 -0.02 -1.26 -4.93 135.00 127.54 1ni0 n PRO 4 Ca -0.14 0.75 -0.21 0.00 -2.02 0.00 0.00 63.50 61.88 1ni0 n PRO 4 Cb 0.59 -2.58 -0.05 0.00 -0.02 0.00 0.00 33.50 31.44 1ni0 n PRO 4 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1ni0 n ASP 5 N 6.40 0.23 -0.15 2.55 -0.08 -1.26 -4.94 116.55 119.30 1ni0 n ASP 5 Ca 0.23 -2.83 0.05 0.00 -1.51 0.00 0.00 54.79 50.73 1ni0 n ASP 5 Cb 0.27 -0.51 0.36 0.00 2.34 0.00 0.00 41.12 43.58 1ni0 n ASP 5 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 1ni0 h LEU 6 N 3.67 0.64 -1.24 -2.67 5.85 -2.00 -2.48 115.31 117.08 1ni0 h LEU 6 Ca 0.07 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1ni0 h LEU 6 Cb 0.92 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.77 1ni0 h LEU 6 CO 0.46 0.43 0.48 0.78 -0.34 0.00 0.00 178.44 180.26 1ni0 h ASN 7 N 0.74 0.87 0.33 1.25 4.21 -1.98 0.21 115.58 121.21 1ni0 h ASN 7 Ca 0.28 -0.03 -0.21 0.00 1.21 0.00 0.00 56.30 57.55 1ni0 h ASN 7 Cb 0.16 -0.22 -0.00 0.00 -1.12 0.00 0.00 38.32 37.14 1ni0 h ASN 7 CO -0.08 0.64 -0.87 0.50 -1.29 0.00 0.00 177.43 176.33 1ni0 h LYS 8 N 1.02 0.39 0.01 0.81 1.63 -1.87 -1.30 116.57 117.26 1ni0 h LYS 8 Ca 0.27 -0.39 -0.00 0.00 -0.85 0.00 0.00 60.65 59.68 1ni0 h LYS 8 Cb -0.10 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1ni0 h LYS 8 CO -0.06 1.05 -0.01 1.25 -3.45 0.00 0.00 179.45 178.24 1ni0 h LEU 9 N 0.24 -0.02 -2.00 5.20 5.85 -1.14 -1.98 115.31 121.46 1ni0 h LEU 9 Ca -0.06 -0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.74 1ni0 h LEU 9 Cb 1.49 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.51 1ni0 h LEU 9 CO 0.15 0.01 0.23 -0.07 -0.34 0.00 0.00 178.44 178.42 1ni0 h LEU 10 N -0.04 0.00 -0.22 2.25 3.38 -0.52 0.12 115.31 120.28 1ni0 h LEU 10 Ca -0.00 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 1ni0 h LEU 10 Cb 0.03 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1ni0 h LEU 10 CO 0.00 0.00 -0.86 -0.08 0.09 0.00 0.00 178.44 177.59 1ni0 h GLU 11 N 0.00 0.51 0.04 1.13 4.81 -0.60 -3.38 114.58 117.09 1ni0 h GLU 11 Ca 0.15 -0.48 -0.34 0.00 -0.13 0.00 0.00 59.36 58.57 1ni0 h GLU 11 Cb 0.62 0.12 -0.05 0.00 0.63 0.00 0.00 28.75 30.07 1ni0 h GLU 11 CO -0.00 1.12 -2.00 1.28 -0.73 0.00 0.00 179.01 178.67 1ni0 n LEU 12 N -3.82 1.45 -0.32 1.64 4.77 -0.81 -4.55 117.00 115.37 1ni0 n LEU 12 Ca -0.07 0.22 0.13 0.00 -0.03 0.00 0.00 56.01 56.26 1ni0 n LEU 12 Cb 0.79 -0.26 0.31 0.00 -2.33 0.00 0.00 43.42 41.93 1ni0 n LEU 12 CO 0.51 0.60 1.11 -0.25 -1.33 0.00 0.00 177.39 178.03 1ni0 h TRP 13 N 0.02 0.83 -0.90 -1.77 2.91 -0.96 -0.68 115.95 115.40 1ni0 h TRP 13 Ca -0.41 0.04 0.12 0.00 1.13 0.00 0.00 58.89 59.77 1ni0 h TRP 13 Cb 2.05 -0.22 -0.08 0.00 -0.51 0.00 0.00 29.16 30.39 1ni0 h TRP 13 CO 0.03 0.08 0.53 -1.35 -1.03 0.00 0.00 178.44 176.69 1ni0 h PRO 14 N 0.56 0.80 -0.27 2.65 0.11 -1.80 0.17 132.00 134.22 1ni0 h PRO 14 Ca 0.56 -0.05 -0.17 0.00 0.11 0.00 0.00 66.00 66.45 1ni0 h PRO 14 Cb 0.97 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.90 1ni0 h PRO 14 CO -0.45 0.53 -0.52 0.45 -0.21 0.00 0.00 178.00 177.79 1ni0 h HIS 15 N 0.82 0.96 0.04 0.65 3.86 -1.43 -0.51 115.15 119.55 1ni0 h HIS 15 Ca 0.46 -0.33 -0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1ni0 h HIS 15 Cb 0.50 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.79 1ni0 h HIS 15 CO -0.04 1.13 -0.02 0.82 0.86 0.00 0.00 177.93 180.67 1ni0 h ILE 16 N 0.60 1.00 -1.00 2.45 1.08 -0.74 -0.69 117.51 120.19 1ni0 h ILE 16 Ca 0.02 -0.11 0.04 0.00 -0.39 0.00 0.00 64.86 64.42 1ni0 h ILE 16 Cb 1.11 1.07 -0.06 0.00 -3.07 0.00 0.00 36.82 35.87 1ni0 h ILE 16 CO 0.11 0.03 0.65 -0.61 -0.69 0.00 0.00 178.15 177.65 1ni0 h GLN 17 N -0.10 1.21 -0.04 2.37 5.75 -0.61 0.88 115.11 124.57 1ni0 h GLN 17 Ca -0.01 -0.07 -0.08 0.00 -0.15 0.00 0.00 58.65 58.34 1ni0 h GLN 17 Cb 0.09 -0.27 -0.01 0.00 1.07 0.00 0.00 27.48 28.36 1ni0 h GLN 17 CO 0.01 0.80 -0.36 1.49 -2.65 0.00 0.00 178.83 178.11 1ni0 h GLU 18 N 1.24 0.07 -0.20 1.69 4.81 -0.82 0.14 114.58 121.52 1ni0 h GLU 18 Ca 0.41 -0.03 -0.19 0.00 -0.13 0.00 0.00 59.36 59.42 1ni0 h GLU 18 Cb 0.05 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1ni0 h GLU 18 CO -0.14 0.43 -0.63 -0.92 -0.73 0.00 0.00 179.01 177.03 1ni0 h TYR 19 N 0.06 0.89 -0.34 0.92 3.20 0.52 -1.66 116.97 120.56 1ni0 h TYR 19 Ca 0.01 -0.35 -0.03 0.00 3.14 0.00 0.00 58.73 61.50 1ni0 h TYR 19 Cb 0.68 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 1ni0 h TYR 19 CO 0.00 1.14 0.11 0.37 -1.64 0.00 0.00 178.16 178.14 1ni0 h GLN 20 N 0.51 0.53 -0.38 1.82 5.75 -0.26 -1.78 115.11 121.30 1ni0 h GLN 20 Ca -0.01 -0.11 0.08 0.00 -0.15 0.00 0.00 58.65 58.46 1ni0 h GLN 20 Cb 1.22 -0.08 -0.09 0.00 1.07 0.00 0.00 27.48 29.60 1ni0 h GLN 20 CO 0.13 0.56 -0.29 0.22 -2.65 0.00 0.00 178.83 176.79 1ni0 h ASP 21 N 0.40 -0.97 -0.95 -0.69 3.58 -0.45 0.22 116.42 117.55 1ni0 h ASP 21 Ca 0.11 0.18 0.10 0.00 0.42 0.00 0.00 57.03 57.84 1ni0 h ASP 21 Cb 0.25 0.47 -0.07 0.00 1.72 0.00 0.00 39.33 41.69 1ni0 h ASP 21 CO -0.00 -0.30 0.61 -0.07 -2.88 0.00 0.00 179.24 176.59 1ni0 h LEU 22 N -0.23 0.88 0.22 2.28 3.38 -1.02 -1.54 115.31 119.29 1ni0 h LEU 22 Ca 0.17 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1ni0 h LEU 22 Cb 0.52 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1ni0 h LEU 22 CO -0.51 0.51 -0.19 0.00 0.09 0.00 0.00 178.44 178.33 1ni0 h ALA 23 N 1.53 -0.41 -0.23 1.53 0.00 0.24 -2.52 119.26 119.40 1ni0 h ALA 23 Ca 0.45 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.34 1ni0 h ALA 23 Cb 0.41 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1ni0 h ALA 23 CO -0.21 -0.75 -0.06 -0.07 0.00 0.00 0.00 179.25 178.16 1ni0 h LEU 24 N -0.43 -0.21 -1.68 0.00 3.38 -0.33 0.53 115.31 116.56 1ni0 h LEU 24 Ca -0.01 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1ni0 h LEU 24 Cb 0.39 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1ni0 h LEU 24 CO -0.03 -0.08 0.19 0.11 0.09 0.00 0.00 178.44 178.73 1ni0 h LYS 25 N -0.00 0.00 -0.17 1.13 1.57 -1.08 -0.94 116.57 117.09 1ni0 h LYS 25 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1ni0 h LYS 25 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1ni0 h LYS 25 CO -0.23 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.37 1ni0 n HIS 26 N -2.52 0.37 -0.12 -1.35 8.25 0.09 -4.99 115.22 114.95 1ni0 n HIS 26 Ca -0.02 -0.69 0.00 0.00 -0.26 0.00 0.00 57.72 56.75 1ni0 n HIS 26 Cb 0.23 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.21 1ni0 n HIS 26 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ni0 n GLY 27 N -0.40 0.67 3.69 -1.41 0.00 -0.36 -0.78 105.19 106.61 1ni0 n GLY 27 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 1ni0 n GLY 27 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ni0 s ILE 28 N -2.36 5.28 -0.04 -0.61 1.01 -0.66 -4.76 121.20 119.06 1ni0 s ILE 28 Ca 0.00 0.51 -0.24 0.00 0.00 0.00 0.00 60.65 60.92 1ni0 s ILE 28 Cb 0.00 -3.63 -0.23 0.00 0.01 0.00 0.00 42.46 38.60 1ni0 s ILE 28 CO 0.00 0.33 1.04 -1.13 0.00 0.00 0.00 174.94 175.18 1ni0 h ASN 29 N 7.10 0.27 -3.19 3.58 -0.73 -1.92 -2.72 115.58 117.96 1ni0 h ASN 29 Ca -0.39 -0.77 -0.46 0.00 1.87 0.00 0.00 56.30 56.55 1ni0 h ASN 29 Cb 1.16 -0.08 -0.40 0.00 0.27 0.00 0.00 38.32 39.27 1ni0 h ASN 29 CO 0.72 1.00 -0.76 -0.62 -0.37 0.00 0.00 177.43 177.41 1ni0 s ASP 30 N -6.37 2.18 0.57 1.15 -1.08 -1.26 -4.83 116.67 107.04 1ni0 s ASP 30 Ca -0.15 -0.47 0.37 0.00 -0.52 0.00 0.00 52.55 51.78 1ni0 s ASP 30 Cb 0.01 -0.36 1.72 0.00 -1.46 0.00 0.00 42.92 42.83 1ni0 s ASP 30 CO 0.75 -0.29 2.10 0.16 0.52 0.00 0.00 175.17 178.41 1ni0 h ILE 31 N 6.43 0.00 -0.04 4.11 3.07 -1.88 -2.67 117.51 126.53 1ni0 h ILE 31 Ca -0.16 -0.31 0.00 0.00 1.55 0.00 0.00 64.86 65.94 1ni0 h ILE 31 Cb 1.13 1.28 0.00 0.00 -0.27 0.00 0.00 36.82 38.97 1ni0 h ILE 31 CO 0.28 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 177.87 1ni0 n PHE 32 N -3.03 0.05 -4.19 0.16 3.72 -1.26 -2.08 117.46 110.84 1ni0 n PHE 32 Ca -0.01 -0.03 -0.16 0.00 -0.05 0.00 0.00 57.45 57.20 1ni0 n PHE 32 Cb 0.21 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.64 1ni0 n PHE 32 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1ni0 s GLN 33 N -1.95 0.88 -1.75 -1.08 -0.21 -1.01 -4.88 119.66 109.66 1ni0 s GLN 33 Ca 0.32 -1.12 -0.16 0.00 0.02 0.00 0.00 55.36 54.43 1ni0 s GLN 33 Cb 0.16 -0.70 0.16 0.00 1.00 0.00 0.00 33.01 33.62 1ni0 s GLN 33 CO 0.25 0.13 0.47 -0.25 -2.12 0.00 0.00 175.29 173.78 1ni0 n ASP 34 N 0.76 -1.29 -2.13 5.90 8.00 -1.26 -0.87 116.55 125.66 1ni0 n ASP 34 Ca -0.17 -1.21 -0.20 0.00 0.71 0.00 0.00 54.79 53.92 1ni0 n ASP 34 Cb 0.57 -1.85 -0.03 0.00 -0.02 0.00 0.00 41.12 39.78 1ni0 n ASP 34 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1ni0 n ASN 35 N -2.62 -5.49 -0.15 -2.24 3.02 -1.26 -4.89 115.26 101.62 1ni0 n ASN 35 Ca -0.02 0.17 -0.03 0.00 -0.03 0.00 0.00 54.58 54.67 1ni0 n ASN 35 Cb 0.53 -4.68 0.06 0.00 -0.61 0.00 0.00 39.78 35.08 1ni0 n ASN 35 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1ni0 h GLY 36 N 0.00 0.58 2.00 7.41 0.00 -1.09 0.17 103.07 112.13 1ni0 h GLY 36 Ca -0.45 -0.02 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 1ni0 h GLY 36 CO 0.57 -0.07 -0.05 -1.33 0.00 0.00 0.00 176.54 175.66 1ni0 h GLY 37 N 0.23 0.00 0.53 4.60 0.00 -1.67 -1.39 103.07 105.37 1ni0 h GLY 37 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.27 1ni0 h GLY 37 CO -0.32 0.00 -1.57 0.50 0.00 0.00 0.00 176.54 175.15 1ni0 h LYS 38 N 0.00 0.23 -0.92 4.80 1.57 -1.07 -3.35 116.57 117.83 1ni0 h LYS 38 Ca -0.00 -0.39 0.14 0.00 -1.87 0.00 0.00 60.65 58.53 1ni0 h LYS 38 Cb 0.15 0.15 -0.07 0.00 0.08 0.00 0.00 32.23 32.53 1ni0 h LYS 38 CO 0.01 1.19 0.59 1.25 -0.57 0.00 0.00 179.45 181.91 1ni0 h LEU 39 N -0.26 0.71 -1.24 2.94 5.85 -0.66 -0.74 115.31 121.91 1ni0 h LEU 39 Ca -0.34 0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.50 1ni0 h LEU 39 Cb 1.80 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 42.68 1ni0 h LEU 39 CO 0.04 0.36 0.56 0.25 -0.34 0.00 0.00 178.44 179.31 1ni0 h LEU 40 N 0.76 0.78 -1.00 2.25 5.85 -1.39 0.16 115.31 122.71 1ni0 h LEU 40 Ca 0.46 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 59.13 1ni0 h LEU 40 Cb 0.68 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 1ni0 h LEU 40 CO -0.22 0.48 0.01 1.56 -0.34 0.00 0.00 178.44 179.92 1ni0 h GLN 41 N 0.87 0.73 -0.31 1.25 4.20 -1.27 -0.02 115.11 120.56 1ni0 h GLN 41 Ca 0.39 -0.18 0.01 0.00 0.06 0.00 0.00 58.65 58.92 1ni0 h GLN 41 Cb 0.35 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 1ni0 h GLN 41 CO -0.15 0.74 0.19 0.28 -0.67 0.00 0.00 178.83 179.22 1ni0 h VAL 42 N 0.69 1.06 -0.48 -0.54 2.07 -0.69 -1.58 116.25 116.78 1ni0 h VAL 42 Ca 0.14 -0.14 -0.12 0.00 0.82 0.00 0.00 66.70 67.40 1ni0 h VAL 42 Cb 0.41 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1ni0 h VAL 42 CO 0.02 0.07 -0.17 -0.07 0.02 0.00 0.00 177.57 177.43 1ni0 h LEU 43 N 0.39 0.99 -1.02 2.57 3.38 -0.62 0.13 115.31 121.13 1ni0 h LEU 43 Ca 0.12 -0.38 -0.09 0.00 0.09 0.00 0.00 57.88 57.61 1ni0 h LEU 43 Cb -0.03 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 1ni0 h LEU 43 CO -0.04 1.15 -0.27 -0.07 0.09 0.00 0.00 178.44 179.30 1ni0 h LEU 44 N 0.82 0.38 -0.07 1.67 3.38 -0.92 0.40 115.31 120.97 1ni0 h LEU 44 Ca 0.11 -0.13 -0.21 0.00 0.09 0.00 0.00 57.88 57.75 1ni0 h LEU 44 Cb 0.75 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.41 1ni0 h LEU 44 CO 0.06 0.65 -0.79 0.40 0.09 0.00 0.00 178.44 178.85 1ni0 h ILE 45 N 0.34 1.32 -0.08 1.22 2.04 -0.97 -3.27 117.51 118.10 1ni0 h ILE 45 Ca 0.05 -2.05 0.00 0.00 1.00 0.00 0.00 64.86 63.86 1ni0 h ILE 45 Cb 0.65 2.26 0.00 0.00 -0.74 0.00 0.00 36.82 38.99 1ni0 h ILE 45 CO 0.05 0.63 0.00 0.35 0.00 0.00 0.00 178.15 179.18 1ni0 n THR 46 N -4.02 0.09 -3.33 -0.27 -2.24 0.42 -4.97 114.28 99.97 1ni0 n THR 46 Ca -0.09 -0.35 -0.16 0.00 -2.27 0.00 0.00 64.05 61.18 1ni0 n THR 46 Cb 0.75 0.65 0.08 0.00 -2.10 0.00 0.00 70.33 69.71 1ni0 n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ni0 n GLY 47 N 1.21 -0.49 3.33 3.38 0.00 0.13 -4.98 105.19 107.77 1ni0 n GLY 47 Ca 0.18 0.18 -0.17 0.00 0.00 0.00 0.00 46.02 46.20 1ni0 n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ni0 s LEU 48 N -6.00 2.28 0.00 0.99 1.43 -0.50 -4.18 118.68 112.71 1ni0 s LEU 48 Ca 0.09 -1.18 0.01 0.00 -1.03 0.00 0.00 54.13 52.02 1ni0 s LEU 48 Cb -0.01 -0.34 -0.00 0.00 0.03 0.00 0.00 46.19 45.87 1ni0 s LEU 48 CO 0.70 -0.46 -0.02 -0.89 0.23 0.00 0.00 176.35 175.91 1ni0 s THR 49 N -3.35 0.15 -0.09 5.49 2.01 -0.93 -4.59 115.64 114.34 1ni0 s THR 49 Ca 0.27 -0.23 -0.26 0.00 0.31 0.00 0.00 61.69 61.77 1ni0 s THR 49 Cb 0.05 -0.16 -0.03 0.00 0.01 0.00 0.00 72.50 72.37 1ni0 s THR 49 CO 0.08 -0.05 0.83 -0.69 -0.69 0.00 0.00 174.62 174.09 1ni0 s VAL 50 N -0.29 4.93 0.17 3.82 1.01 0.04 -1.21 120.40 128.87 1ni0 s VAL 50 Ca -0.02 1.69 -0.30 0.00 0.00 0.00 0.00 61.98 63.35 1ni0 s VAL 50 Cb -0.02 -4.16 -0.07 0.00 0.00 0.00 0.00 36.38 32.13 1ni0 s VAL 50 CO -0.00 0.14 1.11 -0.76 0.00 0.00 0.00 175.10 175.59 1ni0 s LEU 51 N 1.37 4.48 0.03 3.92 1.43 0.25 -4.29 118.68 125.87 1ni0 s LEU 51 Ca 0.42 2.09 0.01 0.00 -1.03 0.00 0.00 54.13 55.61 1ni0 s LEU 51 Cb -0.18 -3.60 0.04 0.00 0.03 0.00 0.00 46.19 42.48 1ni0 s LEU 51 CO 0.19 -0.24 0.74 -0.81 0.23 0.00 0.00 176.35 176.46 1ni0 n PRO 52 N 2.48 0.01 -1.64 1.29 -0.04 -1.26 -4.57 135.00 131.26 1ni0 n PRO 52 Ca 0.03 0.24 -0.43 0.00 -0.04 0.00 0.00 63.50 63.30 1ni0 n PRO 52 Cb 0.46 -1.82 -0.00 0.00 -0.04 0.00 0.00 33.50 32.10 1ni0 n PRO 52 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ni0 n GLY 53 N -1.21 0.14 0.20 0.55 0.00 -1.26 -4.80 105.19 98.80 1ni0 n GLY 53 Ca -0.00 0.26 0.15 0.00 0.00 0.00 0.00 46.02 46.43 1ni0 n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ni0 n ARG 54 N 0.44 -0.04 -0.35 1.61 5.12 -1.26 -1.25 116.66 120.93 1ni0 n ARG 54 Ca 0.07 0.84 0.13 0.00 -1.93 0.00 0.00 57.85 56.97 1ni0 n ARG 54 Cb 0.36 -1.44 0.32 0.00 -1.16 0.00 0.00 32.46 30.54 1ni0 n ARG 54 CO 0.00 0.00 0.00 1.05 -1.93 0.00 0.00 177.63 176.75 1ni0 h GLU 55 N 0.00 0.74 -0.12 5.56 9.09 -1.92 -3.46 114.58 124.48 1ni0 h GLU 55 Ca 0.44 -0.04 -0.05 0.00 0.05 0.00 0.00 59.36 59.76 1ni0 h GLU 55 Cb 1.08 -0.17 -0.02 0.00 -1.65 0.00 0.00 28.75 28.00 1ni0 h GLU 55 CO -0.50 0.49 -0.05 0.41 0.05 0.00 0.00 179.01 179.42 1ni0 n GLY 56 N -1.33 0.46 0.36 1.06 0.00 -0.38 -4.82 105.19 100.53 1ni0 n GLY 56 Ca 0.23 -0.12 0.05 0.00 0.00 0.00 0.00 46.02 46.18 1ni0 n GLY 56 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ni0 n ASN 57 N -0.35 1.17 -4.32 1.61 2.04 -1.26 -4.95 115.26 109.20 1ni0 n ASN 57 Ca -0.02 -2.57 -0.35 0.00 -0.44 0.00 0.00 54.58 51.20 1ni0 n ASN 57 Cb 0.28 -0.32 -0.14 0.00 -2.53 0.00 0.00 39.78 37.07 1ni0 n ASN 57 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 1ni0 s ASP 58 N -1.99 4.22 0.25 0.53 2.15 -1.26 0.03 116.67 120.60 1ni0 s ASP 58 Ca 0.18 -0.38 0.02 0.00 0.43 0.00 0.00 52.55 52.79 1ni0 s ASP 58 Cb 0.16 -1.71 -0.05 0.00 -0.30 0.00 0.00 42.92 41.02 1ni0 s ASP 58 CO 0.00 0.02 0.05 0.00 -0.17 0.00 0.00 175.17 175.08 1ni0 s ALA 59 N 1.24 1.75 0.05 3.66 0.00 -0.40 0.88 121.76 128.94 1ni0 s ALA 59 Ca 0.03 -1.82 0.04 0.00 0.00 0.00 0.00 51.96 50.21 1ni0 s ALA 59 Cb -0.14 0.80 -0.02 0.00 0.00 0.00 0.00 23.12 23.75 1ni0 s ALA 59 CO -0.02 -0.37 -0.12 0.54 0.00 0.00 0.00 175.76 175.79 1ni0 s VAL 60 N -3.61 0.91 0.71 0.00 0.11 -0.35 -0.06 120.40 118.11 1ni0 s VAL 60 Ca 0.33 -1.08 -0.02 0.00 -2.93 0.00 0.00 61.98 58.29 1ni0 s VAL 60 Cb 0.07 -0.88 0.12 0.00 -1.53 0.00 0.00 36.38 34.16 1ni0 s VAL 60 CO 0.11 -0.17 0.99 -0.62 -3.33 0.00 0.00 175.10 172.07 1ni0 s ASP 61 N -1.40 4.42 0.16 3.54 2.15 0.75 -2.18 116.67 124.10 1ni0 s ASP 61 Ca -0.03 -0.25 -0.14 0.00 0.43 0.00 0.00 52.55 52.57 1ni0 s ASP 61 Cb -0.09 -0.19 0.04 0.00 -0.30 0.00 0.00 42.92 42.38 1ni0 s ASP 61 CO 0.01 -1.81 1.73 0.78 -0.17 0.00 0.00 175.17 175.71 1ni0 h ASN 62 N -0.52 0.67 0.00 -0.34 4.21 -1.89 -2.63 115.58 115.08 1ni0 h ASN 62 Ca -0.38 -0.14 0.00 0.00 1.21 0.00 0.00 56.30 56.99 1ni0 h ASN 62 Cb 1.27 -0.17 0.00 0.00 -1.12 0.00 0.00 38.32 38.30 1ni0 h ASN 62 CO 0.43 0.63 0.00 0.00 -1.29 0.00 0.00 177.43 177.19 1ni0 n ALA 63 N -2.32 2.32 -0.98 -0.83 0.00 -1.26 -4.80 120.51 112.64 1ni0 n ALA 63 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1ni0 n ALA 63 Cb 0.13 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1ni0 n ALA 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ni0 n GLY 64 N 0.36 0.17 3.71 0.00 0.00 -0.99 -4.96 105.19 103.49 1ni0 n GLY 64 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1ni0 n GLY 64 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ni0 s GLN 65 N -1.30 4.49 0.49 1.61 -0.44 -1.26 -4.77 119.66 118.48 1ni0 s GLN 65 Ca 0.00 1.61 -0.09 0.00 -2.50 0.00 0.00 55.36 54.38 1ni0 s GLN 65 Cb 0.00 -3.40 -0.05 0.00 -1.64 0.00 0.00 33.01 27.92 1ni0 s GLN 65 CO 0.00 -0.16 0.85 -2.00 0.50 0.00 0.00 175.29 174.48 1ni0 s GLU 66 N 1.04 3.65 -0.01 1.67 2.12 -1.26 -0.18 118.70 125.73 1ni0 s GLU 66 Ca 0.56 0.45 -0.15 0.00 0.36 0.00 0.00 54.97 56.18 1ni0 s GLU 66 Cb -0.26 -2.30 0.02 0.00 0.26 0.00 0.00 34.13 31.86 1ni0 s GLU 66 CO 0.29 -0.24 0.32 0.71 -0.54 0.00 0.00 175.26 175.80 1ni0 s TYR 67 N -2.73 -0.19 -0.07 5.30 2.02 0.91 -4.11 117.35 118.48 1ni0 s TYR 67 Ca 0.51 0.26 -0.03 0.00 -0.37 0.00 0.00 57.07 57.44 1ni0 s TYR 67 Cb -0.10 0.11 -0.04 0.00 -0.40 0.00 0.00 41.96 41.53 1ni0 s TYR 67 CO 0.42 -0.42 0.07 -1.21 -1.57 0.00 0.00 175.55 172.85 1ni0 s GLU 68 N -1.48 3.17 -0.06 -0.62 0.41 -0.49 -1.27 118.70 118.35 1ni0 s GLU 68 Ca -0.12 -0.33 -0.00 0.00 -0.41 0.00 0.00 54.97 54.10 1ni0 s GLU 68 Cb -0.04 -2.95 -0.03 0.00 -1.78 0.00 0.00 34.13 29.32 1ni0 s GLU 68 CO 0.04 0.71 -0.03 -0.51 -0.49 0.00 0.00 175.26 174.98 1ni0 s LEU 69 N -1.17 3.39 -0.04 1.80 1.43 0.10 -0.65 118.68 123.55 1ni0 s LEU 69 Ca 0.17 0.04 -0.06 0.00 -1.03 0.00 0.00 54.13 53.24 1ni0 s LEU 69 Cb -0.12 -1.79 0.01 0.00 0.03 0.00 0.00 46.19 44.32 1ni0 s LEU 69 CO 0.06 0.35 0.16 -0.54 0.23 0.00 0.00 176.35 176.61 1ni0 s LYS 70 N -0.97 0.32 0.20 1.70 -0.14 0.17 -4.85 119.74 116.16 1ni0 s LYS 70 Ca 0.14 -0.03 -0.20 0.00 -1.36 0.00 0.00 55.97 54.52 1ni0 s LYS 70 Cb -0.11 0.14 0.04 0.00 -1.68 0.00 0.00 37.83 36.22 1ni0 s LYS 70 CO 0.03 -0.06 0.59 -1.54 -0.76 0.00 0.00 175.35 173.61 1ni0 s SER 71 N -0.53 -0.37 -0.02 2.83 1.04 -1.26 0.01 113.70 115.40 1ni0 s SER 71 Ca -0.06 -0.33 -0.30 0.00 0.48 0.00 0.00 55.95 55.74 1ni0 s SER 71 Cb -0.04 0.62 0.11 0.00 0.10 0.00 0.00 66.02 66.80 1ni0 s SER 71 CO 0.01 -1.08 1.00 0.27 0.98 0.00 0.00 173.24 174.42 1ni0 s ILE 72 N -3.84 0.00 0.32 -1.02 -4.36 -0.94 -4.62 121.20 106.75 1ni0 s ILE 72 Ca 0.06 -0.13 -0.15 0.00 -0.26 0.00 0.00 60.65 60.17 1ni0 s ILE 72 Cb -0.02 -1.24 -0.09 0.00 1.25 0.00 0.00 42.46 42.36 1ni0 s ILE 72 CO -0.05 0.00 0.74 0.20 0.24 0.00 0.00 174.94 176.07 1ni0 s ASN 73 N -2.53 6.78 0.37 4.36 -0.87 -1.26 -1.19 114.94 120.61 1ni0 s ASN 73 Ca 0.08 1.29 0.06 0.00 -1.57 0.00 0.00 52.86 52.72 1ni0 s ASN 73 Cb -0.01 -2.38 0.74 0.00 -0.02 0.00 0.00 41.25 39.58 1ni0 s ASN 73 CO -0.06 -0.21 1.97 0.40 -2.57 0.00 0.00 177.10 176.64 1ni0 h ILE 74 N 1.97 1.15 0.00 0.60 2.04 -1.61 -2.01 117.51 119.65 1ni0 h ILE 74 Ca -0.48 -0.47 -0.00 0.00 1.00 0.00 0.00 64.86 64.91 1ni0 h ILE 74 Cb 1.17 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 37.95 1ni0 h ILE 74 CO 0.65 0.18 -0.01 -2.24 0.00 0.00 0.00 178.15 176.73 1ni0 h ASP 75 N 0.54 0.00 -4.10 1.72 3.04 -1.94 -3.45 116.42 112.24 1ni0 h ASP 75 Ca 0.13 0.00 -0.48 0.00 -3.24 0.00 0.00 57.03 53.44 1ni0 h ASP 75 Cb 0.12 0.00 0.04 0.00 -1.04 0.00 0.00 39.33 38.45 1ni0 h ASP 75 CO -0.01 0.01 0.39 -0.22 -2.04 0.00 0.00 179.24 177.37 1ni0 s LEU 76 N -6.47 3.76 -0.39 0.15 2.96 -0.76 -4.92 118.68 113.02 1ni0 s LEU 76 Ca -0.04 1.96 -0.39 0.00 -0.22 0.00 0.00 54.13 55.43 1ni0 s LEU 76 Cb 0.13 -4.56 -0.15 0.00 0.50 0.00 0.00 46.19 42.11 1ni0 s LEU 76 CO 0.46 -0.94 2.07 0.41 -1.32 0.00 0.00 176.35 177.03 1ni0 n THR 77 N -1.24 0.15 -1.36 3.68 -1.04 -1.26 -4.64 114.28 108.57 1ni0 n THR 77 Ca 0.10 -0.13 -0.43 0.00 -2.04 0.00 0.00 64.05 61.55 1ni0 n THR 77 Cb 0.52 -1.18 -0.13 0.00 -1.82 0.00 0.00 70.33 67.72 1ni0 n THR 77 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1ni0 n LYS 78 N 7.34 0.00 0.00 -2.82 4.81 -1.26 -4.63 118.16 121.60 1ni0 n LYS 78 Ca 0.42 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.86 1ni0 n LYS 78 Cb 0.12 -1.41 0.00 0.00 0.02 0.00 0.00 35.03 33.76 1ni0 n LYS 78 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ni0 n GLY 79 N 6.33 2.55 3.71 3.14 0.00 -1.26 -4.20 105.19 115.47 1ni0 n GLY 79 Ca 0.60 0.16 -0.42 0.00 0.00 0.00 0.00 46.02 46.36 1ni0 n GLY 79 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ni0 s PHE 80 N 0.00 3.64 0.39 1.61 0.40 0.37 -4.77 117.98 119.61 1ni0 s PHE 80 Ca 0.00 1.62 -0.25 0.00 -0.60 0.00 0.00 56.93 57.70 1ni0 s PHE 80 Cb 0.00 -3.07 -0.09 0.00 0.51 0.00 0.00 43.02 40.37 1ni0 s PHE 80 CO 0.00 -0.01 1.09 -1.12 0.70 0.00 0.00 175.22 175.88 1ni0 s SER 81 N 0.98 6.74 0.00 1.36 0.01 -1.26 -2.25 113.70 119.28 1ni0 s SER 81 Ca 0.49 2.16 0.00 0.00 1.31 0.00 0.00 55.95 59.91 1ni0 s SER 81 Cb -0.20 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.43 1ni0 s SER 81 CO 0.26 -0.51 0.00 0.35 0.41 0.00 0.00 173.24 173.75 1ni0 n THR 82 N 0.12 0.00 -2.56 1.44 -2.24 -1.19 -4.75 114.28 105.11 1ni0 n THR 82 Ca 0.04 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.40 1ni0 n THR 82 Cb 0.48 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.68 1ni0 n THR 82 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1ni0 s HIS 83 N 4.17 3.44 1.11 4.78 2.46 -1.26 -4.94 115.29 125.05 1ni0 s HIS 83 Ca 0.00 1.44 -0.12 0.00 0.47 0.00 0.00 55.06 56.85 1ni0 s HIS 83 Cb 0.00 -3.30 0.25 0.00 -0.13 0.00 0.00 32.58 29.40 1ni0 s HIS 83 CO 0.00 -0.76 1.05 -1.58 -2.47 0.00 0.00 174.74 170.99 1ni0 s HIS 84 N 1.54 1.41 -0.01 3.88 2.46 -1.26 -4.01 115.29 119.30 1ni0 s HIS 84 Ca 0.54 1.33 -0.00 0.00 0.47 0.00 0.00 55.06 57.39 1ni0 s HIS 84 Cb -0.24 -3.15 0.00 0.00 -0.13 0.00 0.00 32.58 29.06 1ni0 s HIS 84 CO 0.25 -3.63 0.01 0.72 -2.47 0.00 0.00 174.74 169.61 1ni0 n HIS 85 N -4.77 -0.12 -4.26 3.88 8.25 -1.25 -4.72 115.22 112.23 1ni0 n HIS 85 Ca 0.05 0.07 -0.35 0.00 -0.26 0.00 0.00 57.72 57.23 1ni0 n HIS 85 Cb 0.54 -1.08 -0.09 0.00 1.12 0.00 0.00 29.99 30.48 1ni0 n HIS 85 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 1ni0 s MET 86 N -0.06 3.12 0.27 -0.41 0.00 0.32 -4.90 119.30 117.64 1ni0 s MET 86 Ca -0.01 -0.35 -0.20 0.00 0.00 0.00 0.00 55.69 55.13 1ni0 s MET 86 Cb 0.00 -2.89 0.05 0.00 0.00 0.00 0.00 34.83 31.98 1ni0 s MET 86 CO 0.02 0.70 0.83 0.54 0.00 0.00 0.00 175.02 177.12 1ni0 s ASN 87 N -0.87 -0.13 0.27 1.11 2.20 -1.26 -1.36 114.94 114.90 1ni0 s ASN 87 Ca 0.13 -0.74 -0.00 0.00 -0.94 0.00 0.00 52.86 51.31 1ni0 s ASN 87 Cb -0.12 0.69 0.56 0.00 -2.00 0.00 0.00 41.25 40.39 1ni0 s ASN 87 CO 0.03 -1.32 1.75 -0.65 -2.94 0.00 0.00 177.10 173.97 1ni0 h PRO 88 N 2.00 0.57 0.37 3.55 0.11 -1.94 -2.08 132.00 134.59 1ni0 h PRO 88 Ca -0.25 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.81 1ni0 h PRO 88 Cb 1.24 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1ni0 h PRO 88 CO 0.30 0.38 -0.18 0.28 -0.21 0.00 0.00 178.00 178.57 1ni0 h VAL 89 N 0.59 0.00 -1.00 3.15 2.07 -1.99 -1.47 116.25 117.59 1ni0 h VAL 89 Ca 0.48 -0.07 0.22 0.00 0.82 0.00 0.00 66.70 68.14 1ni0 h VAL 89 Cb 0.72 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.37 1ni0 h VAL 89 CO -0.39 0.00 0.61 0.40 0.02 0.00 0.00 177.57 178.21 1ni0 h ILE 90 N -0.57 0.63 -0.58 4.57 2.04 -1.93 0.38 117.51 122.03 1ni0 h ILE 90 Ca -0.05 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 1ni0 h ILE 90 Cb 0.38 -0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.34 1ni0 h ILE 90 CO 0.08 0.12 0.32 0.40 0.00 0.00 0.00 178.15 179.07 1ni0 h ILE 91 N 0.66 1.19 0.00 -0.67 2.04 -1.34 -1.46 117.51 117.93 1ni0 h ILE 91 Ca 0.61 -0.48 -0.00 0.00 1.00 0.00 0.00 64.86 65.99 1ni0 h ILE 91 Cb 1.07 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 37.60 1ni0 h ILE 91 CO -0.41 0.20 -0.00 0.00 0.00 0.00 0.00 178.15 177.94 1ni0 h ALA 92 N 1.15 1.60 0.05 1.87 0.00 0.85 0.10 119.26 124.87 1ni0 h ALA 92 Ca 0.20 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1ni0 h ALA 92 Cb 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1ni0 h ALA 92 CO -0.03 0.00 -0.02 0.87 0.00 0.00 0.00 179.25 180.07 1ni0 h LYS 93 N 0.00 -0.06 -0.27 0.00 1.57 -0.69 -3.37 116.57 113.75 1ni0 h LYS 93 Ca -0.00 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.83 1ni0 h LYS 93 Cb 0.00 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.29 1ni0 h LYS 93 CO 0.00 0.58 0.01 0.74 -0.57 0.00 0.00 179.45 180.21 1ni0 h PHE 94 N -0.82 0.00 0.00 -1.35 0.04 -0.57 -2.49 116.94 111.74 1ni0 h PHE 94 Ca -0.01 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1ni0 h PHE 94 Cb 0.66 0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.85 1ni0 h PHE 94 CO 0.16 -0.03 0.64 -0.09 -0.60 0.00 0.00 178.31 178.39 1ni0 h ARG 95 N 0.09 0.00 0.00 1.51 2.43 -0.98 0.29 114.38 117.72 1ni0 h ARG 95 Ca 0.13 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 59.09 1ni0 h ARG 95 Cb 0.16 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.67 1ni0 h ARG 95 CO -0.21 0.00 -1.98 1.04 -1.51 0.00 0.00 179.97 177.31 1ni0 n GLN 96 N -1.90 0.66 -4.11 0.20 1.13 -0.94 -4.81 117.38 107.62 1ni0 n GLN 96 Ca -0.00 0.01 -0.29 0.00 -1.94 0.00 0.00 57.00 54.78 1ni0 n GLN 96 Cb 0.65 -1.61 -0.07 0.00 0.11 0.00 0.00 30.24 29.32 1ni0 n GLN 96 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 1ni0 s VAL 97 N -2.91 4.21 0.75 5.09 -7.23 0.10 -4.93 120.40 115.48 1ni0 s VAL 97 Ca -0.07 -1.01 -0.12 0.00 -1.81 0.00 0.00 61.98 58.97 1ni0 s VAL 97 Cb 0.09 -3.06 0.05 0.00 0.56 0.00 0.00 36.38 34.02 1ni0 s VAL 97 CO 0.85 0.04 1.10 -2.84 -0.31 0.00 0.00 175.10 173.94 1ni0 s PRO 98 N -2.58 2.33 -0.04 4.82 0.02 -1.26 -4.50 135.00 133.80 1ni0 s PRO 98 Ca 0.28 1.24 0.06 0.00 0.02 0.00 0.00 61.00 62.61 1ni0 s PRO 98 Cb -0.11 -1.90 -0.02 0.00 0.02 0.00 0.00 34.50 32.49 1ni0 s PRO 98 CO 0.20 -1.59 -0.23 -1.58 -0.33 0.00 0.00 177.00 173.47 1ni0 s TRP 99 N -2.75 2.45 -0.16 6.54 0.52 -0.22 -1.39 118.94 123.93 1ni0 s TRP 99 Ca 0.63 -0.42 0.01 0.00 0.02 0.00 0.00 56.10 56.34 1ni0 s TRP 99 Cb -0.18 -1.56 0.02 0.00 -1.15 0.00 0.00 33.47 30.60 1ni0 s TRP 99 CO 0.52 -0.02 -0.20 0.42 0.02 0.00 0.00 176.95 177.69 1ni0 s ILE 100 N -0.54 2.02 -0.18 2.03 1.01 0.18 -0.45 121.20 125.27 1ni0 s ILE 100 Ca 0.08 -0.93 -0.05 0.00 0.00 0.00 0.00 60.65 59.75 1ni0 s ILE 100 Cb -0.11 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.52 1ni0 s ILE 100 CO 0.00 0.54 -0.01 -0.36 0.00 0.00 0.00 174.94 175.11 1ni0 s PHE 101 N 1.14 3.05 -0.05 3.97 0.40 0.15 -0.65 117.98 125.98 1ni0 s PHE 101 Ca 0.01 -0.36 0.05 0.00 -0.60 0.00 0.00 56.93 56.03 1ni0 s PHE 101 Cb -0.14 -2.03 -0.02 0.00 0.51 0.00 0.00 43.02 41.34 1ni0 s PHE 101 CO -0.09 -0.13 -0.19 0.00 0.70 0.00 0.00 175.22 175.51 1ni0 s ALA 102 N 0.69 2.44 -0.17 5.36 0.00 0.10 0.46 121.76 130.65 1ni0 s ALA 102 Ca -0.01 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 50.95 1ni0 s ALA 102 Cb -0.14 -0.84 0.02 0.00 0.00 0.00 0.00 23.12 22.15 1ni0 s ALA 102 CO 0.02 0.48 -0.19 0.42 0.00 0.00 0.00 175.76 176.49 1ni0 s ILE 103 N -0.46 2.16 -0.05 0.00 1.01 0.98 -2.22 121.20 122.61 1ni0 s ILE 103 Ca 0.05 -0.92 -0.00 0.00 0.00 0.00 0.00 60.65 59.78 1ni0 s ILE 103 Cb -0.12 -1.90 -0.03 0.00 0.01 0.00 0.00 42.46 40.42 1ni0 s ILE 103 CO 0.01 0.53 -0.01 -0.31 0.00 0.00 0.00 174.94 175.17 1ni0 s TYR 104 N 1.17 3.09 -0.25 3.97 2.02 -0.33 -0.59 117.35 126.42 1ni0 s TYR 104 Ca 0.02 0.13 -0.02 0.00 -0.37 0.00 0.00 57.07 56.82 1ni0 s TYR 104 Cb -0.14 -1.73 0.03 0.00 -0.40 0.00 0.00 41.96 39.71 1ni0 s TYR 104 CO -0.09 0.44 -0.05 0.50 -1.57 0.00 0.00 175.55 174.78 1ni0 s ARG 105 N -1.11 2.83 6.84 -0.62 3.52 -0.38 -1.46 118.95 128.57 1ni0 s ARG 105 Ca 0.15 -0.99 0.00 0.00 -0.13 0.00 0.00 55.73 54.77 1ni0 s ARG 105 Cb -0.11 -3.03 0.00 0.00 -1.56 0.00 0.00 34.95 30.25 1ni0 s ARG 105 CO 0.05 -0.42 0.00 0.41 -0.81 0.00 0.00 175.30 174.53 1ni0 n GLY 106 N 4.68 2.21 0.00 8.12 0.00 -1.26 -2.18 105.19 116.76 1ni0 n GLY 106 Ca -0.16 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1ni0 n GLY 106 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ni0 n ILE 107 N 0.00 0.35 -3.98 -0.61 -5.35 -1.26 -5.03 119.36 103.49 1ni0 n ILE 107 Ca 0.00 -0.62 -0.29 0.00 -0.27 0.00 0.00 62.75 61.57 1ni0 n ILE 107 Cb 0.00 0.89 -0.05 0.00 -1.74 0.00 0.00 39.64 38.75 1ni0 n ILE 107 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ni0 s ALA 108 N -0.35 3.84 -0.11 -1.28 0.00 -0.93 -4.67 121.76 118.25 1ni0 s ALA 108 Ca 0.00 -0.97 -0.28 0.00 0.00 0.00 0.00 51.96 50.70 1ni0 s ALA 108 Cb 0.00 -1.67 -0.01 0.00 0.00 0.00 0.00 23.12 21.44 1ni0 s ALA 108 CO 0.00 0.70 0.96 -1.50 0.00 0.00 0.00 175.76 175.92 1ni0 s ILE 109 N -1.56 4.82 -0.25 0.00 -1.16 -1.26 -1.25 121.20 120.53 1ni0 s ILE 109 Ca 0.33 1.93 -0.13 0.00 -0.51 0.00 0.00 60.65 62.27 1ni0 s ILE 109 Cb -0.12 -4.27 -0.15 0.00 0.61 0.00 0.00 42.46 38.53 1ni0 s ILE 109 CO 0.26 0.03 -0.17 1.21 -2.81 0.00 0.00 174.94 173.46 1ni0 n GLU 110 N 4.96 0.60 -3.75 3.50 2.13 0.24 -4.87 120.64 123.45 1ni0 n GLU 110 Ca 0.07 0.32 -0.14 0.00 0.66 0.00 0.00 57.16 58.08 1ni0 n GLU 110 Cb 0.49 -1.57 -0.09 0.00 0.27 0.00 0.00 31.44 30.55 1ni0 n GLU 110 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ni0 s ALA 111 N -2.48 -0.85 -0.07 4.31 0.00 -0.53 -4.51 121.76 117.62 1ni0 s ALA 111 Ca -0.35 0.47 0.02 0.00 0.00 0.00 0.00 51.96 52.10 1ni0 s ALA 111 Cb 0.12 -0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.23 1ni0 s ALA 111 CO 0.54 -0.25 -0.12 0.42 0.00 0.00 0.00 175.76 176.34 1ni0 s ILE 112 N -1.11 1.19 0.05 0.00 1.01 -1.21 -0.02 121.20 121.10 1ni0 s ILE 112 Ca -0.12 -0.49 0.09 0.00 0.00 0.00 0.00 60.65 60.13 1ni0 s ILE 112 Cb -0.05 -1.09 -0.03 0.00 0.01 0.00 0.00 42.46 41.30 1ni0 s ILE 112 CO 0.04 0.37 -0.25 -0.31 0.00 0.00 0.00 174.94 174.79 1ni0 s TYR 113 N 0.79 2.19 -0.26 3.97 2.02 0.17 -1.11 117.35 125.11 1ni0 s TYR 113 Ca -0.12 -0.40 0.01 0.00 -0.37 0.00 0.00 57.07 56.18 1ni0 s TYR 113 Cb -0.15 -1.31 0.05 0.00 -0.40 0.00 0.00 41.96 40.14 1ni0 s TYR 113 CO 0.02 0.12 -0.08 0.50 -1.57 0.00 0.00 175.55 174.55 1ni0 s ARG 114 N -1.23 2.48 -0.19 -0.62 3.52 -0.07 0.31 118.95 123.15 1ni0 s ARG 114 Ca 0.11 -1.21 -0.09 0.00 -0.13 0.00 0.00 55.73 54.40 1ni0 s ARG 114 Cb -0.10 -2.97 -0.05 0.00 -1.56 0.00 0.00 34.95 30.28 1ni0 s ARG 114 CO 0.02 -0.52 0.13 -0.51 -0.81 0.00 0.00 175.30 173.61 1ni0 s LEU 115 N 1.21 4.21 0.31 -0.88 2.01 0.41 -1.98 118.68 123.96 1ni0 s LEU 115 Ca -0.05 0.26 -0.12 0.00 0.01 0.00 0.00 54.13 54.23 1ni0 s LEU 115 Cb -0.19 -2.08 -0.08 0.00 0.01 0.00 0.00 46.19 43.86 1ni0 s LEU 115 CO -0.04 0.22 0.67 -1.61 1.01 0.00 0.00 176.35 176.60 1ni0 s GLU 116 N 0.15 3.88 0.40 1.70 8.01 -1.26 -1.05 118.70 130.52 1ni0 s GLU 116 Ca 0.09 0.47 0.22 0.00 0.01 0.00 0.00 54.97 55.76 1ni0 s GLU 116 Cb -0.11 -2.50 1.23 0.00 -4.31 0.00 0.00 34.13 28.44 1ni0 s GLU 116 CO -0.01 0.17 1.68 -1.00 0.01 0.00 0.00 175.26 176.12 1ni0 h PRO 117 N 2.13 0.24 -0.85 0.39 0.13 -1.87 0.51 132.00 132.66 1ni0 h PRO 117 Ca -0.47 -0.01 0.10 0.00 -0.87 0.00 0.00 66.00 64.75 1ni0 h PRO 117 Cb 1.18 -0.05 -0.08 0.00 0.13 0.00 0.00 31.00 32.17 1ni0 h PRO 117 CO 0.66 0.16 0.49 0.87 -0.23 0.00 0.00 178.00 179.95 1ni0 h LYS 118 N 0.25 0.78 0.00 0.86 6.56 -1.93 -0.59 116.57 122.50 1ni0 h LYS 118 Ca 0.72 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 60.27 1ni0 h LYS 118 Cb 1.99 -0.18 0.00 0.00 -0.57 0.00 0.00 32.23 33.47 1ni0 h LYS 118 CO -0.43 0.52 0.00 -0.25 -2.06 0.00 0.00 179.45 177.23 1ni0 n ASP 119 N -4.74 0.00 0.00 0.86 8.00 0.18 -2.94 116.55 117.90 1ni0 n ASP 119 Ca 0.15 -0.82 0.00 0.00 0.71 0.00 0.00 54.79 54.83 1ni0 n ASP 119 Cb 0.31 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.41 1ni0 n ASP 119 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1ni0 n LEU 120 N -0.88 0.69 -0.27 0.64 4.77 -0.26 -4.72 117.00 116.96 1ni0 n LEU 120 Ca 0.12 -0.74 0.04 0.00 -0.03 0.00 0.00 56.01 55.41 1ni0 n LEU 120 Cb 0.06 0.00 0.26 0.00 -2.33 0.00 0.00 43.42 41.41 1ni0 n LEU 120 CO 0.09 0.17 1.24 -0.08 -1.33 0.00 0.00 177.39 177.49 1ni0 h GLU 121 N 0.00 0.94 -0.52 3.23 4.81 -1.35 0.20 114.58 121.90 1ni0 h GLU 121 Ca 0.00 -0.06 0.07 0.00 -0.13 0.00 0.00 59.36 59.25 1ni0 h GLU 121 Cb 0.10 -0.21 -0.06 0.00 0.63 0.00 0.00 28.75 29.20 1ni0 h GLU 121 CO 0.00 0.63 0.19 0.35 -0.73 0.00 0.00 179.01 179.45 1ni0 h PHE 122 N 0.97 0.33 -0.27 0.92 3.57 -1.84 0.31 116.94 120.93 1ni0 h PHE 122 Ca 0.36 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.74 1ni0 h PHE 122 Cb 0.18 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 38.85 1ni0 h PHE 122 CO -0.00 0.11 -0.41 1.88 -2.23 0.00 0.00 178.31 177.65 1ni0 h TYR 123 N 0.37 0.94 -0.07 0.41 0.05 -1.67 -1.11 116.97 115.89 1ni0 h TYR 123 Ca 0.25 -0.32 0.00 0.00 0.05 0.00 0.00 58.73 58.72 1ni0 h TYR 123 Cb 0.27 -0.18 -0.00 0.00 1.01 0.00 0.00 36.73 37.83 1ni0 h TYR 123 CO -0.16 1.10 0.04 1.88 -1.05 0.00 0.00 178.16 179.97 1ni0 h TYR 124 N 0.51 0.08 -0.34 4.88 0.05 -0.22 -1.41 116.97 120.53 1ni0 h TYR 124 Ca 0.03 0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.84 1ni0 h TYR 124 Cb 1.01 -0.03 -0.03 0.00 1.01 0.00 0.00 36.73 38.69 1ni0 h TYR 124 CO 0.08 0.07 0.15 -0.44 -1.05 0.00 0.00 178.16 176.98 1ni0 h ASP 125 N 0.07 0.21 -0.50 3.88 3.32 -0.45 -1.28 116.42 121.69 1ni0 h ASP 125 Ca 0.02 0.02 0.09 0.00 0.02 0.00 0.00 57.03 57.18 1ni0 h ASP 125 Cb 0.01 -0.02 -0.07 0.00 0.22 0.00 0.00 39.33 39.48 1ni0 h ASP 125 CO -0.00 0.16 0.09 0.50 -1.72 0.00 0.00 179.24 178.27 1ni0 h LYS 126 N 0.32 0.22 -0.24 3.56 3.64 -0.80 0.19 116.57 123.47 1ni0 h LYS 126 Ca 0.15 -0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 59.34 1ni0 h LYS 126 Cb 0.08 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1ni0 h LYS 126 CO -0.12 0.15 -0.54 -1.49 -2.27 0.00 0.00 179.45 175.18 1ni0 h TRP 127 N 0.23 0.88 -0.45 1.91 6.55 -1.03 -1.16 115.95 122.87 1ni0 h TRP 127 Ca 0.25 -0.31 0.01 0.00 0.95 0.00 0.00 58.89 59.79 1ni0 h TRP 127 Cb 0.34 -0.17 -0.03 0.00 -0.86 0.00 0.00 29.16 28.44 1ni0 h TRP 127 CO -0.23 1.09 0.28 0.93 -1.05 0.00 0.00 178.44 179.46 1ni0 h GLU 128 N 0.54 0.56 -0.11 0.49 5.08 -0.66 0.41 114.58 120.89 1ni0 h GLU 128 Ca 0.01 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1ni0 h GLU 128 Cb 1.11 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.21 1ni0 h GLU 128 CO 0.11 0.37 -0.06 -0.09 -1.00 0.00 0.00 179.01 178.34 1ni0 h ARG 129 N 0.57 -0.06 0.00 2.33 2.43 -0.45 -1.58 114.38 117.62 1ni0 h ARG 129 Ca 0.18 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.27 1ni0 h ARG 129 Cb -0.02 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1ni0 h ARG 129 CO -0.06 -0.04 -0.39 0.87 -1.51 0.00 0.00 179.97 178.84 1ni0 h LYS 130 N -0.06 0.00 -0.18 0.20 1.57 -0.76 -2.42 116.57 114.93 1ni0 h LYS 130 Ca 0.07 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1ni0 h LYS 130 Cb 0.16 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1ni0 h LYS 130 CO -0.15 0.39 0.08 2.35 -0.57 0.00 0.00 179.45 181.55 1ni0 h TRP 131 N 0.00 0.26 0.07 -1.35 7.01 0.75 -3.29 115.95 119.40 1ni0 h TRP 131 Ca -0.00 -0.02 -0.00 0.00 2.11 0.00 0.00 58.89 60.98 1ni0 h TRP 131 Cb 0.72 -0.08 0.00 0.00 -2.10 0.00 0.00 29.16 27.70 1ni0 h TRP 131 CO 0.00 0.30 -0.03 1.88 -2.79 0.00 0.00 178.44 177.80 1ni0 h TYR 132 N 0.15 -0.09 0.00 2.65 0.05 -1.28 -3.05 116.97 115.40 1ni0 h TYR 132 Ca 0.06 -0.00 -0.36 0.00 0.05 0.00 0.00 58.73 58.48 1ni0 h TYR 132 Cb 0.14 0.03 0.01 0.00 1.01 0.00 0.00 36.73 37.92 1ni0 h TYR 132 CO -0.02 0.39 2.20 -1.13 -1.05 0.00 0.00 178.16 178.54 1ni0 n SER 133 N -4.90 5.02 0.00 3.88 3.41 -0.92 -3.65 113.62 116.46 1ni0 n SER 133 Ca -0.09 -2.30 0.00 0.00 -0.26 0.00 0.00 58.87 56.22 1ni0 n SER 133 Cb 0.26 -1.10 0.00 0.00 -0.26 0.00 0.00 64.21 63.11 1ni0 n SER 133 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1ni0 n ASP 134 N 3.82 0.00 0.00 4.04 5.68 -1.25 -4.90 116.55 123.93 1ni0 n ASP 134 Ca 0.45 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.74 1ni0 n ASP 134 Cb 0.23 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.21 1ni0 n ASP 134 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ni0 n GLY 135 N -0.16 0.64 2.52 6.12 0.00 -1.24 -4.81 105.19 108.25 1ni0 n GLY 135 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1ni0 n GLY 135 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ni0 n HIS 136 N 0.00 -1.42 -4.68 1.61 8.25 -1.15 -5.05 115.22 112.76 1ni0 n HIS 136 Ca 0.00 0.53 -0.30 0.00 -0.26 0.00 0.00 57.72 57.69 1ni0 n HIS 136 Cb 0.00 -3.60 -0.13 0.00 1.12 0.00 0.00 29.99 27.38 1ni0 n HIS 136 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1ni0 s LYS 137 N -4.15 1.90 0.26 -0.41 1.02 -1.26 -5.06 119.74 112.04 1ni0 s LYS 137 Ca 0.19 -1.07 -0.30 0.00 0.02 0.00 0.00 55.97 54.80 1ni0 s LYS 137 Cb -0.02 -2.09 -0.14 0.00 -0.52 0.00 0.00 37.83 35.06 1ni0 s LYS 137 CO 0.44 0.52 1.31 -0.25 -0.92 0.00 0.00 175.35 176.45 1ni0 n ASP 138 N 1.50 2.42 -4.59 2.83 9.92 -1.26 -4.75 116.55 122.62 1ni0 n ASP 138 Ca -0.16 1.16 -0.42 0.00 -0.53 0.00 0.00 54.79 54.83 1ni0 n ASP 138 Cb 0.52 -1.40 -0.04 0.00 -0.64 0.00 0.00 41.12 39.56 1ni0 n ASP 138 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1ni0 s ILE 139 N -0.39 4.66 -0.18 0.53 1.09 -0.47 -4.78 121.20 121.66 1ni0 s ILE 139 Ca 0.65 1.00 -0.29 0.00 -1.10 0.00 0.00 60.65 60.91 1ni0 s ILE 139 Cb -0.66 -4.27 0.00 0.00 -1.06 0.00 0.00 42.46 36.46 1ni0 s ILE 139 CO 0.54 -0.50 1.04 0.21 -0.10 0.00 0.00 174.94 176.13 1ni0 s ASN 140 N 1.88 7.14 -0.51 3.58 3.84 -1.26 -0.52 114.94 129.09 1ni0 s ASN 140 Ca 0.34 1.46 -0.13 0.00 0.21 0.00 0.00 52.86 54.75 1ni0 s ASN 140 Cb -0.12 -2.55 0.02 0.00 -0.55 0.00 0.00 41.25 38.05 1ni0 s ASN 140 CO 0.18 -0.60 0.30 -3.20 -2.79 0.00 0.00 177.10 170.99 1ni0 n ASN 141 N 5.86 -1.89 -4.65 -4.21 4.05 -1.26 -4.88 115.26 108.30 1ni0 n ASN 141 Ca 0.11 -0.56 -0.30 0.00 0.45 0.00 0.00 54.58 54.28 1ni0 n ASN 141 Cb 0.47 -0.71 0.17 0.00 1.23 0.00 0.00 39.78 40.95 1ni0 n ASN 141 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1ni0 s PRO 142 N -5.54 0.65 0.17 1.20 0.04 -1.26 -4.60 135.00 125.66 1ni0 s PRO 142 Ca 0.18 1.03 0.10 0.00 0.04 0.00 0.00 61.00 62.35 1ni0 s PRO 142 Cb -0.10 -1.72 -0.04 0.00 0.04 0.00 0.00 34.50 32.68 1ni0 s PRO 142 CO 0.43 -2.72 -0.20 0.15 0.04 0.00 0.00 177.00 174.70 1ni0 s LYS 143 N -4.73 1.66 -0.28 4.56 -0.14 -1.26 -3.14 119.74 116.41 1ni0 s LYS 143 Ca 0.66 -1.40 0.03 0.00 -1.36 0.00 0.00 55.97 53.90 1ni0 s LYS 143 Cb -0.21 -1.96 0.07 0.00 -1.68 0.00 0.00 37.83 34.05 1ni0 s LYS 143 CO 0.59 0.43 -0.05 0.42 -0.76 0.00 0.00 175.35 175.97 1ni0 s ILE 144 N -1.52 2.03 0.53 2.17 1.09 -0.95 -4.91 121.20 119.63 1ni0 s ILE 144 Ca 0.20 -1.72 -0.20 0.00 -1.10 0.00 0.00 60.65 57.83 1ni0 s ILE 144 Cb -0.09 -2.26 -0.08 0.00 -1.06 0.00 0.00 42.46 38.97 1ni0 s ILE 144 CO 0.11 -0.21 0.90 -0.81 -0.10 0.00 0.00 174.94 174.83 1ni0 n PRO 145 N 4.45 0.99 0.22 2.79 -0.04 -1.26 -0.48 135.00 141.68 1ni0 n PRO 145 Ca -0.09 0.37 0.07 0.00 -0.04 0.00 0.00 63.50 63.82 1ni0 n PRO 145 Cb 0.42 -2.04 0.52 0.00 -0.04 0.00 0.00 33.50 32.36 1ni0 n PRO 145 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 1ni0 h VAL 146 N 0.82 0.89 -0.37 0.52 -1.51 -1.90 -2.67 116.25 112.03 1ni0 h VAL 146 Ca -0.47 -0.95 0.07 0.00 -1.23 0.00 0.00 66.70 64.12 1ni0 h VAL 146 Cb 1.36 1.56 -0.06 0.00 -2.13 0.00 0.00 31.29 32.02 1ni0 h VAL 146 CO 0.52 0.24 -0.00 0.50 -1.23 0.00 0.00 177.57 177.60 1ni0 h LYS 147 N 0.00 0.10 -0.13 5.19 1.63 -1.91 0.18 116.57 121.63 1ni0 h LYS 147 Ca -0.00 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1ni0 h LYS 147 Cb 0.54 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.14 1ni0 h LYS 147 CO 0.03 0.06 0.08 -0.92 -3.45 0.00 0.00 179.45 175.26 1ni0 h TYR 148 N 0.10 0.16 -0.37 1.91 3.20 -1.84 0.50 116.97 120.63 1ni0 h TYR 148 Ca 0.18 0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.07 1ni0 h TYR 148 Cb 0.25 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 1ni0 h TYR 148 CO -0.26 0.11 0.21 0.28 -1.64 0.00 0.00 178.16 176.86 1ni0 h VAL 149 N 0.16 1.03 -0.92 1.81 2.07 -1.23 0.71 116.25 119.89 1ni0 h VAL 149 Ca 0.05 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1ni0 h VAL 149 Cb -0.01 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.28 1ni0 h VAL 149 CO -0.01 0.08 0.54 0.24 0.02 0.00 0.00 177.57 178.44 1ni0 h MET 150 N 0.43 1.25 0.55 1.57 2.86 -0.45 0.51 114.93 121.66 1ni0 h MET 150 Ca 0.15 -0.12 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 1ni0 h MET 150 Cb 0.01 -0.26 0.01 0.00 0.06 0.00 0.00 31.60 31.42 1ni0 h MET 150 CO -0.07 0.89 -0.27 0.93 1.06 0.00 0.00 176.91 179.45 1ni0 h GLU 151 N 1.27 -0.72 0.00 1.72 3.07 -0.23 -3.36 114.58 116.33 1ni0 h GLU 151 Ca 0.33 0.05 0.00 0.00 -0.50 0.00 0.00 59.36 59.24 1ni0 h GLU 151 Cb -0.03 0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.04 1ni0 h GLU 151 CO -0.06 -0.48 -0.03 0.45 -1.40 0.00 0.00 179.01 177.49 1ni0 h HIS 152 N -1.12 0.00 -2.76 4.33 3.86 -0.91 -3.47 115.15 115.07 1ni0 h HIS 152 Ca -0.08 0.00 -0.45 0.00 -1.16 0.00 0.00 60.37 58.68 1ni0 h HIS 152 Cb 0.57 0.00 0.08 0.00 1.06 0.00 0.00 27.41 29.12 1ni0 h HIS 152 CO 0.01 0.00 0.12 0.20 0.86 0.00 0.00 177.93 179.12 1ni0 s GLY 153 N -3.92 1.76 -0.23 2.45 0.00 0.17 -4.86 107.32 102.70 1ni0 s GLY 153 Ca 0.08 -1.40 -0.07 0.00 0.00 0.00 0.00 44.72 43.34 1ni0 s GLY 153 CO 0.64 -0.93 0.06 -1.59 0.00 0.00 0.00 173.10 171.28 1ni0 s THR 154 N -3.13 4.36 -0.27 0.90 2.01 -0.84 -4.90 115.64 113.78 1ni0 s THR 154 Ca 0.63 -0.16 -0.29 0.00 0.31 0.00 0.00 61.69 62.18 1ni0 s THR 154 Cb -0.08 -3.01 -0.00 0.00 0.01 0.00 0.00 72.50 69.42 1ni0 s THR 154 CO 0.43 0.38 1.30 -0.75 -0.69 0.00 0.00 174.62 175.29 1ni0 s LYS 155 N 1.26 3.97 -0.00 4.92 2.20 -1.26 -0.89 119.74 129.94 1ni0 s LYS 155 Ca 0.05 1.34 0.14 0.00 -0.36 0.00 0.00 55.97 57.13 1ni0 s LYS 155 Cb -0.15 -3.86 -0.16 0.00 -1.51 0.00 0.00 37.83 32.16 1ni0 s LYS 155 CO 0.03 -1.05 0.58 0.44 -0.36 0.00 0.00 175.35 175.00 1ni0 n ILE 156 N 6.05 0.00 -4.47 5.43 -0.00 -0.27 -4.95 119.36 121.15 1ni0 n ILE 156 Ca 0.15 -0.18 -0.21 0.00 -0.00 0.00 0.00 62.75 62.51 1ni0 n ILE 156 Cb 0.46 0.96 -0.15 0.00 -0.00 0.00 0.00 39.64 40.91 1ni0 n ILE 156 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.55 176.08 1ni0 s TYR 157 N -2.35 1.06 0.00 4.28 5.04 -1.12 -4.99 117.35 119.27 1ni0 s TYR 157 Ca 0.05 -0.26 0.00 0.00 -2.44 0.00 0.00 57.07 54.41 1ni0 s TYR 157 Cb 0.11 -0.74 0.00 0.00 0.35 0.00 0.00 41.96 41.67 1ni0 s TYR 157 CO 0.58 -0.10 0.00 0.00 -1.34 0.00 0.00 175.55 174.69 1ni0 n ALA 158 N 3.20 0.00 0.00 3.97 0.00 -1.26 -3.33 120.51 123.09 1ni0 n ALA 158 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1ni0 n ALA 158 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1ni0 n ALA 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50