#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n6o n ASN 16 N 0.00 2.47 -4.79 1.61 0.23 -1.21 -4.76 115.26 108.82 1n6o n ASN 16 Ca 0.00 -1.71 -0.36 0.00 -0.53 0.00 0.00 54.58 51.98 1n6o n ASN 16 Cb 0.00 -0.04 -0.05 0.00 -2.08 0.00 0.00 39.78 37.60 1n6o n ASN 16 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1n6o s LYS 17 N -1.29 4.31 -0.05 -3.83 1.02 -1.11 -4.95 119.74 113.84 1n6o s LYS 17 Ca 0.21 1.39 0.00 0.00 0.02 0.00 0.00 55.97 57.59 1n6o s LYS 17 Cb 0.14 -2.57 0.02 0.00 -0.52 0.00 0.00 37.83 34.90 1n6o s LYS 17 CO 0.20 0.01 -0.03 0.42 -0.92 0.00 0.00 175.35 175.04 1n6o s ILE 18 N -1.72 0.46 0.12 2.17 1.01 -1.26 -0.51 121.20 121.46 1n6o s ILE 18 Ca 0.56 -0.03 0.07 0.00 0.00 0.00 0.00 60.65 61.25 1n6o s ILE 18 Cb -0.19 -0.53 -0.04 0.00 0.01 0.00 0.00 42.46 41.71 1n6o s ILE 18 CO 0.24 0.23 -0.16 0.00 0.00 0.00 0.00 174.94 175.25 1n6o s GLN 20 N -2.45 0.63 0.01 0.00 0.74 -1.26 -0.14 119.66 117.19 1n6o s GLN 20 Ca 0.09 -0.18 0.01 0.00 0.05 0.00 0.00 55.36 55.33 1n6o s GLN 20 Cb -0.07 -0.63 -0.01 0.00 1.10 0.00 0.00 33.01 33.40 1n6o s GLN 20 CO 0.04 0.06 -0.05 -0.06 -0.55 0.00 0.00 175.29 174.73 1n6o s PHE 21 N 0.24 0.45 -0.15 1.67 0.40 -0.49 -4.96 117.98 115.14 1n6o s PHE 21 Ca -0.03 -0.26 -0.16 0.00 -0.60 0.00 0.00 56.93 55.88 1n6o s PHE 21 Cb -0.07 -0.28 -0.04 0.00 0.51 0.00 0.00 43.02 43.13 1n6o s PHE 21 CO -0.00 -0.05 0.39 0.21 0.70 0.00 0.00 175.22 176.47 1n6o s LYS 22 N -0.75 4.29 -0.01 0.44 2.20 -1.26 -1.30 119.74 123.35 1n6o s LYS 22 Ca -0.04 0.28 0.04 0.00 -0.36 0.00 0.00 55.97 55.89 1n6o s LYS 22 Cb -0.05 -3.45 -0.01 0.00 -1.51 0.00 0.00 37.83 32.81 1n6o s LYS 22 CO -0.00 0.16 -0.14 -1.17 -0.36 0.00 0.00 175.35 173.84 1n6o s LEU 23 N 0.66 2.04 0.01 5.43 0.20 0.35 -0.49 118.68 126.89 1n6o s LEU 23 Ca 0.21 -0.28 0.07 0.00 0.69 0.00 0.00 54.13 54.82 1n6o s LEU 23 Cb -0.14 -0.73 -0.02 0.00 -0.43 0.00 0.00 46.19 44.87 1n6o s LEU 23 CO 0.07 0.17 -0.20 0.54 -0.29 0.00 0.00 176.35 176.64 1n6o s VAL 24 N -0.38 1.60 -0.11 1.68 0.11 -0.59 -0.64 120.40 122.08 1n6o s VAL 24 Ca 0.05 -1.00 -0.01 0.00 -2.93 0.00 0.00 61.98 58.09 1n6o s VAL 24 Cb -0.06 -1.36 -0.03 0.00 -1.53 0.00 0.00 36.38 33.41 1n6o s VAL 24 CO -0.00 0.33 -0.07 -0.76 -3.33 0.00 0.00 175.10 171.26 1n6o s LEU 25 N -0.79 3.08 0.07 2.54 1.02 -0.27 -0.53 118.68 123.80 1n6o s LEU 25 Ca 0.07 -0.14 0.04 0.00 0.02 0.00 0.00 54.13 54.13 1n6o s LEU 25 Cb -0.08 -1.70 -0.03 0.00 0.02 0.00 0.00 46.19 44.40 1n6o s LEU 25 CO 0.00 0.25 -0.12 -0.76 0.02 0.00 0.00 176.35 175.75 1n6o s LEU 26 N -0.12 2.32 0.00 1.79 1.43 -0.53 -2.88 118.68 120.69 1n6o s LEU 26 Ca 0.01 -0.67 0.00 0.00 -1.03 0.00 0.00 54.13 52.44 1n6o s LEU 26 Cb -0.13 -0.37 0.00 0.00 0.03 0.00 0.00 46.19 45.71 1n6o s LEU 26 CO 0.03 -0.16 0.00 0.61 0.23 0.00 0.00 176.35 177.06 1n6o n GLY 27 N 1.08 3.30 3.61 -3.19 0.00 -1.26 -0.46 105.19 108.27 1n6o n GLY 27 Ca -0.20 -1.00 -0.39 0.00 0.00 0.00 0.00 46.02 44.44 1n6o n GLY 27 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1n6o n GLU 28 N -1.16 1.05 -1.72 1.61 2.13 -1.26 -4.12 120.64 117.17 1n6o n GLU 28 Ca 0.00 0.39 -0.41 0.00 0.66 0.00 0.00 57.16 57.80 1n6o n GLU 28 Cb 0.00 -2.14 0.00 0.00 0.27 0.00 0.00 31.44 29.57 1n6o n GLU 28 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1n6o n SER 29 N -0.38 2.94 0.00 4.31 2.88 -1.24 -2.90 113.62 119.23 1n6o n SER 29 Ca 0.12 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.83 1n6o n SER 29 Cb 0.45 -1.53 0.00 0.00 -0.75 0.00 0.00 64.21 62.39 1n6o n SER 29 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1n6o n LYS 30 N 0.30 0.00 0.24 -1.46 4.76 -1.26 -4.91 118.16 115.83 1n6o n LYS 30 Ca 0.05 0.00 0.15 0.00 -2.87 0.00 0.00 58.31 55.64 1n6o n LYS 30 Cb 0.38 -2.20 0.52 0.00 -1.84 0.00 0.00 35.03 31.89 1n6o n LYS 30 CO 0.00 0.00 0.00 -0.39 -1.37 0.00 0.00 177.40 175.64 1n6o h VAL 31 N 0.00 0.00 0.00 -0.18 -1.51 -1.89 -3.47 116.25 109.20 1n6o h VAL 31 Ca 0.00 -0.60 0.00 0.00 -1.23 0.00 0.00 66.70 64.87 1n6o h VAL 31 Cb 0.00 1.57 0.00 0.00 -2.13 0.00 0.00 31.29 30.73 1n6o h VAL 31 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 1n6o n GLY 32 N 0.36 1.61 0.12 5.19 0.00 -1.26 -4.60 105.19 106.60 1n6o n GLY 32 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 1n6o n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n6o h LYS 33 N 0.24 -0.06 -0.33 1.61 1.57 -1.91 0.12 116.57 117.81 1n6o h LYS 33 Ca 0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1n6o h LYS 33 Cb 0.00 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1n6o h LYS 33 CO 0.00 -0.04 -0.05 0.77 -0.57 0.00 0.00 179.45 179.56 1n6o h SER 34 N -0.06 0.51 -0.46 0.86 0.02 -1.95 -2.14 113.55 110.33 1n6o h SER 34 Ca 0.07 -0.11 -0.10 0.00 -0.84 0.00 0.00 61.79 60.81 1n6o h SER 34 Cb 0.17 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 1n6o h SER 34 CO -0.16 0.61 -0.10 0.28 -1.14 0.00 0.00 176.83 176.33 1n6o h SER 35 N 0.51 0.89 -0.06 3.07 0.02 -1.83 -0.25 113.55 115.90 1n6o h SER 35 Ca 0.10 -0.36 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1n6o h SER 35 Cb 0.40 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 1n6o h SER 35 CO 0.02 1.04 0.04 -0.07 -1.14 0.00 0.00 176.83 176.72 1n6o h LEU 36 N 0.73 0.07 -0.34 5.07 3.38 -0.43 -0.59 115.31 123.20 1n6o h LEU 36 Ca 0.12 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1n6o h LEU 36 Cb 0.64 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1n6o h LEU 36 CO 0.04 0.06 0.20 0.58 0.09 0.00 0.00 178.44 179.41 1n6o h VAL 37 N 0.08 1.12 -0.45 1.22 2.07 -1.27 -1.32 116.25 117.70 1n6o h VAL 37 Ca 0.02 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 1n6o h VAL 37 Cb -0.01 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1n6o h VAL 37 CO -0.01 0.12 0.17 -0.07 0.02 0.00 0.00 177.57 177.80 1n6o h LEU 38 N 0.44 0.58 -0.46 2.57 3.38 -0.91 0.22 115.31 121.13 1n6o h LEU 38 Ca 0.12 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 1n6o h LEU 38 Cb 0.02 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1n6o h LEU 38 CO -0.02 0.54 -0.08 -0.09 0.09 0.00 0.00 178.44 178.88 1n6o h ARG 39 N 0.64 0.87 -0.26 1.13 9.65 -0.70 0.14 114.38 125.85 1n6o h ARG 39 Ca 0.15 -0.32 -0.13 0.00 -1.10 0.00 0.00 59.98 58.59 1n6o h ARG 39 Cb 0.15 -0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 28.67 1n6o h ARG 39 CO -0.01 0.96 -0.33 0.35 2.80 0.00 0.00 179.97 183.73 1n6o h PHE 40 N 0.71 0.84 0.07 2.20 3.57 -0.70 -2.00 116.94 121.62 1n6o h PHE 40 Ca 0.12 -0.27 -0.14 0.00 3.53 0.00 0.00 57.97 61.22 1n6o h PHE 40 Cb 0.62 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.19 1n6o h PHE 40 CO 0.05 1.02 -0.66 0.28 -2.23 0.00 0.00 178.31 176.77 1n6o h VAL 41 N 0.41 1.48 -0.01 1.41 2.07 -0.56 -3.40 116.25 117.65 1n6o h VAL 41 Ca 0.03 -2.41 0.00 0.00 0.82 0.00 0.00 66.70 65.15 1n6o h VAL 41 Cb 0.91 3.09 0.00 0.00 -1.52 0.00 0.00 31.29 33.77 1n6o h VAL 41 CO 0.08 0.63 -0.13 0.29 0.02 0.00 0.00 177.57 178.46 1n6o n LYS 42 N -4.31 1.46 -1.74 1.57 5.02 0.42 -4.97 118.16 115.60 1n6o n LYS 42 Ca -0.16 -0.79 -0.14 0.00 -2.02 0.00 0.00 58.31 55.19 1n6o n LYS 42 Cb 0.69 -1.12 -0.04 0.00 -0.02 0.00 0.00 35.03 34.54 1n6o n LYS 42 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1n6o n GLY 43 N 0.77 0.81 3.77 0.72 0.00 -0.65 -4.97 105.19 105.64 1n6o n GLY 43 Ca 0.05 -0.33 -0.23 0.00 0.00 0.00 0.00 46.02 45.51 1n6o n GLY 43 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1n6o s GLN 44 N -3.78 2.73 -0.11 1.61 -0.21 -1.03 -4.91 119.66 113.95 1n6o s GLN 44 Ca 0.00 -1.13 -0.05 0.00 0.02 0.00 0.00 55.36 54.20 1n6o s GLN 44 Cb 0.00 -2.46 0.06 0.00 1.00 0.00 0.00 33.01 31.61 1n6o s GLN 44 CO 0.00 0.40 0.24 0.12 -2.12 0.00 0.00 175.29 173.94 1n6o s PHE 45 N -2.12 -0.36 -0.27 0.91 5.36 -1.26 -2.35 117.98 117.89 1n6o s PHE 45 Ca 0.32 0.86 -0.01 0.00 -0.96 0.00 0.00 56.93 57.13 1n6o s PHE 45 Cb -0.08 -0.03 0.04 0.00 -0.34 0.00 0.00 43.02 42.61 1n6o s PHE 45 CO 0.23 -0.30 -0.03 -1.01 -1.46 0.00 0.00 175.22 172.65 1n6o s HIS 46 N 1.96 3.17 0.55 10.12 3.76 -1.26 -4.97 115.29 128.63 1n6o s HIS 46 Ca -0.03 -1.75 0.24 0.00 -0.15 0.00 0.00 55.06 53.38 1n6o s HIS 46 Cb -0.11 -2.07 1.48 0.00 1.11 0.00 0.00 32.58 32.98 1n6o s HIS 46 CO -0.08 -0.77 2.10 1.49 -0.85 0.00 0.00 174.74 176.63 1n6o h GLU 47 N 7.99 0.00 -0.55 1.40 4.57 -2.02 -2.59 114.58 123.38 1n6o h GLU 47 Ca -0.26 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 57.60 1n6o h GLU 47 Cb 1.08 0.00 -0.19 0.00 -0.16 0.00 0.00 28.75 29.48 1n6o h GLU 47 CO 0.55 0.00 0.05 1.19 -1.18 0.00 0.00 179.01 179.62 1n6o n PHE 48 N -4.20 1.76 -1.68 0.92 3.01 -1.26 -5.03 117.46 110.99 1n6o n PHE 48 Ca 0.02 -1.84 -0.45 0.00 1.01 0.00 0.00 57.45 56.19 1n6o n PHE 48 Cb 0.31 -0.64 -0.03 0.00 -0.01 0.00 0.00 39.48 39.10 1n6o n PHE 48 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 1n6o n GLN 49 N -1.08 2.20 -3.18 -1.08 -0.06 -0.98 -4.98 117.38 108.24 1n6o n GLN 49 Ca 0.41 0.79 -0.30 0.00 -2.00 0.00 0.00 57.00 55.91 1n6o n GLN 49 Cb 1.10 -2.54 -0.03 0.00 -4.06 0.00 0.00 30.24 24.71 1n6o n GLN 49 CO 0.00 0.00 0.00 -2.00 -0.20 0.00 0.00 177.06 174.86 1n6o s GLU 50 N 0.45 3.71 0.38 3.69 2.12 -1.26 -5.03 118.70 122.76 1n6o s GLU 50 Ca 0.74 0.21 -0.27 0.00 0.36 0.00 0.00 54.97 56.01 1n6o s GLU 50 Cb -0.64 -2.55 -0.11 0.00 0.26 0.00 0.00 34.13 31.08 1n6o s GLU 50 CO 0.42 0.14 1.41 0.43 -0.54 0.00 0.00 175.26 177.12 1n6o n SER 51 N -0.96 3.37 -4.80 -1.70 7.64 -1.26 -4.96 113.62 110.95 1n6o n SER 51 Ca 0.00 1.20 -0.35 0.00 1.01 0.00 0.00 58.87 60.73 1n6o n SER 51 Cb 0.54 -1.58 -0.05 0.00 -1.01 0.00 0.00 64.21 62.11 1n6o n SER 51 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1n6o s THR 52 N -1.13 4.04 -0.33 0.44 2.01 -1.26 -5.04 115.64 114.37 1n6o s THR 52 Ca 0.55 1.38 -0.05 0.00 0.31 0.00 0.00 61.69 63.88 1n6o s THR 52 Cb -0.50 -3.62 0.04 0.00 0.01 0.00 0.00 72.50 68.43 1n6o s THR 52 CO 0.62 -0.17 0.08 -0.63 -0.69 0.00 0.00 174.62 173.84 1n6o s ILE 53 N -1.93 3.58 0.00 1.82 1.01 -1.26 -4.69 121.20 119.73 1n6o s ILE 53 Ca 0.61 -1.22 0.00 0.00 0.00 0.00 0.00 60.65 60.04 1n6o s ILE 53 Cb -0.15 -3.05 0.00 0.00 0.01 0.00 0.00 42.46 39.27 1n6o s ILE 53 CO 0.20 -0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.57 1n6o n GLY 54 N 4.76 2.18 3.55 6.18 0.00 -1.26 -4.75 105.19 115.85 1n6o n GLY 54 Ca -0.12 0.08 -0.07 0.00 0.00 0.00 0.00 46.02 45.91 1n6o n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n6o s ALA 55 N -1.00 -1.94 0.13 4.61 0.00 -1.26 -1.29 121.76 121.00 1n6o s ALA 55 Ca 0.00 1.30 0.08 0.00 0.00 0.00 0.00 51.96 53.33 1n6o s ALA 55 Cb 0.00 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 1n6o s ALA 55 CO 0.00 -0.64 -0.18 0.00 0.00 0.00 0.00 175.76 174.94 1n6o s ALA 56 N -2.77 1.78 -0.06 0.00 0.00 -0.31 -4.97 121.76 115.44 1n6o s ALA 56 Ca 0.07 -1.32 0.04 0.00 0.00 0.00 0.00 51.96 50.75 1n6o s ALA 56 Cb -0.01 -0.19 -0.00 0.00 0.00 0.00 0.00 23.12 22.92 1n6o s ALA 56 CO -0.07 0.26 -0.19 0.12 0.00 0.00 0.00 175.76 175.88 1n6o s PHE 57 N -1.64 1.97 0.07 0.00 5.36 -1.26 -1.06 117.98 121.41 1n6o s PHE 57 Ca 0.10 -0.64 -0.07 0.00 -0.96 0.00 0.00 56.93 55.35 1n6o s PHE 57 Cb -0.08 -1.33 -0.01 0.00 -0.34 0.00 0.00 43.02 41.27 1n6o s PHE 57 CO 0.05 -0.24 0.14 -0.51 -1.46 0.00 0.00 175.22 173.20 1n6o s LEU 58 N 0.15 1.63 0.11 6.12 1.02 -0.72 -5.02 118.68 121.96 1n6o s LEU 58 Ca -0.08 -0.65 0.05 0.00 0.02 0.00 0.00 54.13 53.47 1n6o s LEU 58 Cb -0.14 0.84 -0.04 0.00 0.02 0.00 0.00 46.19 46.87 1n6o s LEU 58 CO 0.04 -0.66 -0.13 0.42 0.02 0.00 0.00 176.35 176.05 1n6o s THR 59 N -3.53 1.17 -0.09 5.49 -4.23 -1.26 -0.68 115.64 112.52 1n6o s THR 59 Ca 0.03 -1.64 -0.20 0.00 -1.18 0.00 0.00 61.69 58.70 1n6o s THR 59 Cb 0.04 -1.42 0.04 0.00 1.34 0.00 0.00 72.50 72.51 1n6o s THR 59 CO -0.09 -0.44 0.47 -1.58 -0.54 0.00 0.00 174.62 172.44 1n6o s GLN 60 N -2.60 0.73 -0.02 3.99 2.00 -0.97 -4.92 119.66 117.88 1n6o s GLN 60 Ca 0.06 0.24 0.08 0.00 -2.00 0.00 0.00 55.36 53.74 1n6o s GLN 60 Cb -0.05 0.34 -0.02 0.00 0.80 0.00 0.00 33.01 34.08 1n6o s GLN 60 CO 0.02 -0.18 -0.25 0.99 -0.50 0.00 0.00 175.29 175.37 1n6o s THR 61 N -0.71 1.99 0.23 -0.34 2.01 -1.26 0.31 115.64 117.87 1n6o s THR 61 Ca -0.08 -1.08 0.03 0.00 0.31 0.00 0.00 61.69 60.87 1n6o s THR 61 Cb -0.03 -1.65 -0.05 0.00 0.01 0.00 0.00 72.50 70.77 1n6o s THR 61 CO 0.04 0.56 0.01 0.68 -0.69 0.00 0.00 174.62 175.23 1n6o s VAL 62 N -0.57 0.92 -0.32 3.82 -7.23 0.34 -4.97 120.40 112.39 1n6o s VAL 62 Ca 0.09 -2.02 -0.10 0.00 -1.81 0.00 0.00 61.98 58.14 1n6o s VAL 62 Cb -0.10 -2.37 0.00 0.00 0.56 0.00 0.00 36.38 34.47 1n6o s VAL 62 CO -0.01 -0.29 0.16 0.00 -0.31 0.00 0.00 175.10 174.66 1n6o s LEU 64 N 1.60 4.47 0.00 0.00 2.96 0.77 -4.99 118.68 123.49 1n6o s LEU 64 Ca 0.04 -2.80 0.00 0.00 -0.22 0.00 0.00 54.13 51.15 1n6o s LEU 64 Cb -0.17 -1.65 0.00 0.00 0.50 0.00 0.00 46.19 44.86 1n6o s LEU 64 CO 0.06 -0.28 0.00 0.47 -1.32 0.00 0.00 176.35 175.29 1n6o n ASP 65 N 3.40 0.00 -1.18 3.68 10.43 -1.26 -0.99 116.55 130.63 1n6o n ASP 65 Ca 0.05 0.00 0.11 0.00 2.57 0.00 0.00 54.79 57.52 1n6o n ASP 65 Cb 0.35 0.00 0.26 0.00 1.84 0.00 0.00 41.12 43.57 1n6o n ASP 65 CO 0.00 0.00 0.00 -0.90 -1.07 0.00 0.00 177.20 175.23 1n6o n ASP 66 N 11.44 3.62 -4.31 -2.24 3.85 -1.26 -4.36 116.55 123.29 1n6o n ASP 66 Ca 0.00 -1.98 -0.32 0.00 -0.71 0.00 0.00 54.79 51.78 1n6o n ASP 66 Cb 0.00 -0.37 -0.16 0.00 -1.35 0.00 0.00 41.12 39.25 1n6o n ASP 66 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 1n6o s THR 67 N -1.16 2.24 -0.36 2.12 2.01 -0.16 -2.75 115.64 117.57 1n6o s THR 67 Ca 0.42 -1.01 -0.16 0.00 0.31 0.00 0.00 61.69 61.24 1n6o s THR 67 Cb 0.23 -1.82 -0.00 0.00 0.01 0.00 0.00 72.50 70.92 1n6o s THR 67 CO 0.30 0.57 0.40 -0.89 -0.69 0.00 0.00 174.62 174.32 1n6o s THR 68 N -0.32 5.13 -0.24 -0.82 2.01 0.33 -0.16 115.64 121.57 1n6o s THR 68 Ca 0.01 -0.00 -0.08 0.00 0.31 0.00 0.00 61.69 61.93 1n6o s THR 68 Cb -0.13 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 1n6o s THR 68 CO 0.02 -0.19 0.09 -0.69 -0.69 0.00 0.00 174.62 173.16 1n6o s VAL 69 N 2.10 4.68 -0.19 3.82 1.01 -0.29 -0.89 120.40 130.64 1n6o s VAL 69 Ca 0.13 -0.05 -0.09 0.00 0.00 0.00 0.00 61.98 61.97 1n6o s VAL 69 Cb -0.16 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 1n6o s VAL 69 CO 0.12 0.36 0.09 -0.75 0.00 0.00 0.00 175.10 174.92 1n6o s LYS 70 N 1.27 4.07 -0.21 2.72 2.20 0.80 -0.50 119.74 130.08 1n6o s LYS 70 Ca 0.05 -0.29 -0.08 0.00 -0.36 0.00 0.00 55.97 55.30 1n6o s LYS 70 Cb -0.14 -3.32 -0.04 0.00 -1.51 0.00 0.00 37.83 32.82 1n6o s LYS 70 CO 0.04 0.27 0.07 -0.06 -0.36 0.00 0.00 175.35 175.32 1n6o s PHE 71 N 0.40 3.20 -0.37 4.03 0.08 0.15 -1.40 117.98 124.07 1n6o s PHE 71 Ca 0.05 -0.06 -0.12 0.00 0.12 0.00 0.00 56.93 56.92 1n6o s PHE 71 Cb -0.12 -2.14 0.02 0.00 -0.57 0.00 0.00 43.02 40.20 1n6o s PHE 71 CO -0.01 -0.01 0.22 -1.21 -0.10 0.00 0.00 175.22 174.11 1n6o s GLU 72 N 0.82 3.00 -0.21 0.44 2.02 -0.42 -2.29 118.70 122.06 1n6o s GLU 72 Ca 0.04 -0.97 -0.04 0.00 0.02 0.00 0.00 54.97 54.02 1n6o s GLU 72 Cb -0.14 -3.77 -0.01 0.00 0.10 0.00 0.00 34.13 30.31 1n6o s GLU 72 CO 0.02 -0.65 -0.03 0.42 0.02 0.00 0.00 175.26 175.05 1n6o s ILE 73 N 1.61 3.57 -0.39 -1.63 1.01 0.14 -0.49 121.20 125.02 1n6o s ILE 73 Ca 0.03 -0.43 -0.13 0.00 0.00 0.00 0.00 60.65 60.12 1n6o s ILE 73 Cb -0.19 -2.62 0.03 0.00 0.01 0.00 0.00 42.46 39.69 1n6o s ILE 73 CO 0.08 0.43 0.25 0.26 0.00 0.00 0.00 174.94 175.95 1n6o s TRP 74 N 1.27 3.24 -0.75 3.97 0.52 0.19 -1.76 118.94 125.62 1n6o s TRP 74 Ca 0.03 -0.83 -0.18 0.00 0.02 0.00 0.00 56.10 55.15 1n6o s TRP 74 Cb -0.14 -2.51 0.14 0.00 -1.15 0.00 0.00 33.47 29.81 1n6o s TRP 74 CO -0.01 -0.63 0.84 0.34 0.02 0.00 0.00 176.95 177.52 1n6o s ASP 75 N 1.61 6.47 0.56 2.95 2.15 -0.22 -1.11 116.67 129.08 1n6o s ASP 75 Ca 0.03 -1.95 -0.16 0.00 0.43 0.00 0.00 52.55 50.90 1n6o s ASP 75 Cb -0.19 -2.31 -0.05 0.00 -0.30 0.00 0.00 42.92 40.07 1n6o s ASP 75 CO 0.08 -0.96 1.04 0.42 -0.17 0.00 0.00 175.17 175.58 1n6o s THR 76 N 2.01 3.98 -0.04 1.71 -4.23 -1.14 -1.16 115.64 116.76 1n6o s THR 76 Ca 0.19 0.97 -0.29 0.00 -1.18 0.00 0.00 61.69 61.39 1n6o s THR 76 Cb -0.15 -3.47 -0.03 0.00 1.34 0.00 0.00 72.50 70.20 1n6o s THR 76 CO -0.02 -0.52 0.94 0.00 -0.54 0.00 0.00 174.62 174.47 1n6o s ALA 77 N -2.45 3.26 -0.82 3.99 0.00 -0.41 -4.90 121.76 120.44 1n6o s ALA 77 Ca 0.63 0.41 0.26 0.00 0.00 0.00 0.00 51.96 53.26 1n6o s ALA 77 Cb -0.15 -3.30 0.78 0.00 0.00 0.00 0.00 23.12 20.45 1n6o s ALA 77 CO 0.34 -0.33 1.67 0.41 0.00 0.00 0.00 175.76 177.85 1n6o n GLY 78 N 3.01 -1.53 3.75 0.00 0.00 -1.26 -4.78 105.19 104.39 1n6o n GLY 78 Ca 0.06 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 1n6o n GLY 78 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1n6o n GLN 79 N -1.93 2.13 -0.05 1.61 6.02 -1.26 -3.65 117.38 120.24 1n6o n GLN 79 Ca 0.05 0.76 0.18 0.00 -0.01 0.00 0.00 57.00 57.98 1n6o n GLN 79 Cb 0.40 -2.60 0.62 0.00 1.02 0.00 0.00 30.24 29.67 1n6o n GLN 79 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1n6o h GLU 80 N 2.12 0.16 0.00 -1.09 4.57 -1.98 -0.86 114.58 117.50 1n6o h GLU 80 Ca -0.51 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 1n6o h GLU 80 Cb 1.28 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 1n6o h GLU 80 CO 0.60 0.10 0.00 0.07 -1.18 0.00 0.00 179.01 178.60 1n6o h ARG 81 N 0.16 0.00 -0.02 1.92 0.11 -1.96 -1.34 114.38 113.25 1n6o h ARG 81 Ca 0.28 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.36 1n6o h ARG 81 Cb 0.90 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.98 1n6o h ARG 81 CO -0.04 0.00 -0.14 0.66 0.10 0.00 0.00 179.97 180.55 1n6o n TYR 82 N -2.35 0.00 -0.29 4.08 4.02 -0.33 -4.51 117.16 117.78 1n6o n TYR 82 Ca -0.01 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 57.97 1n6o n TYR 82 Cb 0.10 -0.00 0.25 0.00 -0.02 0.00 0.00 39.34 39.66 1n6o n TYR 82 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 1n6o h HIS 83 N 3.87 0.63 0.00 -0.72 2.76 -1.31 -0.49 115.15 119.89 1n6o h HIS 83 Ca 0.00 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 1n6o h HIS 83 Cb 0.89 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.70 1n6o h HIS 83 CO 0.00 0.05 0.00 -1.13 -1.30 0.00 0.00 177.93 175.55 1n6o n SER 84 N -4.99 0.61 0.05 3.26 3.41 -1.26 -1.53 113.62 113.17 1n6o n SER 84 Ca 0.18 0.74 0.12 0.00 -0.26 0.00 0.00 58.87 59.64 1n6o n SER 84 Cb 0.52 -0.83 0.12 0.00 -0.26 0.00 0.00 64.21 63.76 1n6o n SER 84 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1n6o n LEU 85 N -2.27 0.67 -0.21 1.04 4.77 -0.20 -4.46 117.00 116.35 1n6o n LEU 85 Ca -0.00 0.16 -0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1n6o n LEU 85 Cb 0.10 -0.15 0.07 0.00 -2.33 0.00 0.00 43.42 41.11 1n6o n LEU 85 CO 0.13 -0.03 0.76 0.00 -1.33 0.00 0.00 177.39 176.92 1n6o h ALA 86 N 2.51 0.46 -0.68 -1.18 0.00 -1.29 -0.83 119.26 118.25 1n6o h ALA 86 Ca 0.00 0.23 0.19 0.00 0.00 0.00 0.00 54.91 55.33 1n6o h ALA 86 Cb 0.75 0.44 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 1n6o h ALA 86 CO 0.00 -0.42 0.48 -1.35 0.00 0.00 0.00 179.25 177.96 1n6o h PRO 87 N 0.02 0.07 0.00 0.00 0.11 -1.79 0.64 132.00 131.05 1n6o h PRO 87 Ca 0.31 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.38 1n6o h PRO 87 Cb 0.48 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.57 1n6o h PRO 87 CO -0.62 0.05 -0.16 0.52 -0.21 0.00 0.00 178.00 177.58 1n6o h MET 88 N 0.07 0.00 0.01 1.05 2.86 -1.45 -0.22 114.93 117.25 1n6o h MET 88 Ca 0.33 0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 57.64 1n6o h MET 88 Cb 1.20 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.81 1n6o h MET 88 CO -0.03 0.16 -2.00 0.66 1.06 0.00 0.00 176.91 176.76 1n6o n TYR 89 N -4.35 0.64 0.84 -0.22 0.53 0.12 -4.42 117.16 110.31 1n6o n TYR 89 Ca -0.03 0.21 0.11 0.00 -1.02 0.00 0.00 57.90 57.18 1n6o n TYR 89 Cb 0.23 -1.11 -0.02 0.00 -1.03 0.00 0.00 39.34 37.40 1n6o n TYR 89 CO 0.00 0.00 0.00 2.48 -1.02 0.00 0.00 176.86 178.32 1n6o n TYR 90 N -3.00 0.05 -0.15 -0.72 0.18 -0.60 -4.47 117.16 108.44 1n6o n TYR 90 Ca -0.25 0.01 -0.12 0.00 1.88 0.00 0.00 57.90 59.42 1n6o n TYR 90 Cb 1.08 -0.17 -0.08 0.00 -0.38 0.00 0.00 39.34 39.80 1n6o n TYR 90 CO 0.00 0.00 0.00 -0.09 -2.08 0.00 0.00 176.86 174.69 1n6o h ARG 91 N 0.00 -0.33 -0.61 -3.48 9.65 -1.24 -1.84 114.38 116.53 1n6o h ARG 91 Ca 0.00 0.02 -0.04 0.00 -1.10 0.00 0.00 59.98 58.87 1n6o h ARG 91 Cb 0.58 0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 29.21 1n6o h ARG 91 CO 0.00 -0.22 0.05 0.41 2.80 0.00 0.00 179.97 183.00 1n6o n GLY 92 N -1.39 3.11 3.75 2.80 0.00 -1.26 -4.30 105.19 107.90 1n6o n GLY 92 Ca -0.02 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.65 1n6o n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n6o s ALA 93 N -2.82 3.41 -0.46 4.61 0.00 -0.69 -4.77 121.76 121.05 1n6o s ALA 93 Ca 0.55 0.92 0.23 0.00 0.00 0.00 0.00 51.96 53.66 1n6o s ALA 93 Cb 0.42 -3.36 0.04 0.00 0.00 0.00 0.00 23.12 20.22 1n6o s ALA 93 CO 0.16 -0.24 1.02 1.04 0.00 0.00 0.00 175.76 177.73 1n6o n GLN 94 N 1.59 0.40 -3.73 0.00 6.02 0.36 -4.66 117.38 117.37 1n6o n GLN 94 Ca 0.01 0.02 -0.12 0.00 -0.01 0.00 0.00 57.00 56.89 1n6o n GLN 94 Cb 0.45 -1.66 -0.07 0.00 1.02 0.00 0.00 30.24 29.98 1n6o n GLN 94 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1n6o s ALA 95 N -3.27 -0.81 0.02 -1.58 0.00 -0.98 -1.52 121.76 113.63 1n6o s ALA 95 Ca 0.02 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.15 1n6o s ALA 95 Cb 0.13 0.27 -0.02 0.00 0.00 0.00 0.00 23.12 23.50 1n6o s ALA 95 CO 0.80 -0.39 -0.03 0.00 0.00 0.00 0.00 175.76 176.13 1n6o s ALA 96 N -2.27 0.15 -0.20 0.00 0.00 -0.19 -1.53 121.76 117.72 1n6o s ALA 96 Ca -0.07 -0.53 0.02 0.00 0.00 0.00 0.00 51.96 51.37 1n6o s ALA 96 Cb -0.02 0.12 0.03 0.00 0.00 0.00 0.00 23.12 23.25 1n6o s ALA 96 CO -0.01 -0.13 -0.17 0.42 0.00 0.00 0.00 175.76 175.87 1n6o s ILE 97 N -1.27 2.06 -0.21 0.00 1.01 0.30 -0.73 121.20 122.36 1n6o s ILE 97 Ca -0.13 -1.12 -0.15 0.00 0.00 0.00 0.00 60.65 59.25 1n6o s ILE 97 Cb -0.09 -1.96 -0.04 0.00 0.01 0.00 0.00 42.46 40.39 1n6o s ILE 97 CO -0.01 0.37 0.35 -0.69 0.00 0.00 0.00 174.94 174.96 1n6o s VAL 98 N 1.25 5.23 -0.05 2.92 1.01 0.18 -1.46 120.40 129.48 1n6o s VAL 98 Ca 0.01 0.59 0.02 0.00 0.00 0.00 0.00 61.98 62.60 1n6o s VAL 98 Cb -0.15 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 1n6o s VAL 98 CO -0.11 0.26 -0.10 -0.69 0.00 0.00 0.00 175.10 174.47 1n6o s VAL 99 N 1.31 3.41 0.31 2.92 1.01 0.39 -0.64 120.40 129.12 1n6o s VAL 99 Ca 0.16 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.56 1n6o s VAL 99 Cb -0.15 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 1n6o s VAL 99 CO 0.07 0.58 0.12 -0.72 0.00 0.00 0.00 175.10 175.16 1n6o s TYR 100 N -0.79 1.67 -0.25 5.22 -0.85 -0.18 -4.18 117.35 117.99 1n6o s TYR 100 Ca 0.12 -1.24 -0.06 0.00 -0.52 0.00 0.00 57.07 55.37 1n6o s TYR 100 Cb -0.11 -0.99 -0.01 0.00 0.38 0.00 0.00 41.96 41.24 1n6o s TYR 100 CO 0.01 -0.35 0.03 0.34 -1.52 0.00 0.00 175.55 174.07 1n6o s ASP 101 N -3.41 4.84 0.11 -0.18 3.68 -1.26 -0.46 116.67 119.99 1n6o s ASP 101 Ca 0.34 -0.43 0.08 0.00 2.13 0.00 0.00 52.55 54.67 1n6o s ASP 101 Cb 0.06 -1.84 0.41 0.00 -1.45 0.00 0.00 42.92 40.09 1n6o s ASP 101 CO 0.16 -0.08 1.23 2.30 0.13 0.00 0.00 175.17 178.91 1n6o n ILE 102 N 4.86 1.65 0.34 4.11 -5.35 -0.51 -0.73 119.36 123.74 1n6o n ILE 102 Ca -0.16 0.57 0.12 0.00 -0.27 0.00 0.00 62.75 63.01 1n6o n ILE 102 Cb 0.50 -1.57 0.25 0.00 -1.74 0.00 0.00 39.64 37.08 1n6o n ILE 102 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1n6o n THR 103 N -1.76 0.54 -3.62 7.28 -2.24 -1.26 -0.39 114.28 112.83 1n6o n THR 103 Ca -0.00 -0.73 -0.29 0.00 -2.27 0.00 0.00 64.05 60.75 1n6o n THR 103 Cb 0.02 0.82 -0.15 0.00 -2.10 0.00 0.00 70.33 68.91 1n6o n THR 103 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1n6o s ASN 104 N -1.41 3.74 0.36 3.42 3.84 0.09 -4.47 114.94 120.52 1n6o s ASN 104 Ca 0.39 -1.43 0.05 0.00 0.21 0.00 0.00 52.86 52.08 1n6o s ASN 104 Cb 0.22 -0.56 0.70 0.00 -0.55 0.00 0.00 41.25 41.06 1n6o s ASN 104 CO 0.31 -0.43 1.96 -0.08 -2.79 0.00 0.00 177.10 176.07 1n6o h GLU 105 N 8.28 0.56 -1.00 0.43 4.81 -1.83 -1.75 114.58 124.08 1n6o h GLU 105 Ca -0.17 -0.08 0.04 0.00 -0.13 0.00 0.00 59.36 59.02 1n6o h GLU 105 Cb 1.01 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 30.23 1n6o h GLU 105 CO 0.45 0.48 0.65 0.93 -0.73 0.00 0.00 179.01 180.80 1n6o h GLU 106 N 0.56 1.23 -0.06 1.92 5.08 -1.94 -0.39 114.58 120.96 1n6o h GLU 106 Ca 0.14 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.33 1n6o h GLU 106 Cb 0.14 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1n6o h GLU 106 CO -0.01 0.81 -0.40 0.66 -1.00 0.00 0.00 179.01 179.07 1n6o h SER 107 N 1.26 0.13 -0.26 1.42 4.64 -1.66 -1.23 113.55 117.86 1n6o h SER 107 Ca 0.40 -0.05 -0.08 0.00 -0.47 0.00 0.00 61.79 61.58 1n6o h SER 107 Cb 0.00 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 1n6o h SER 107 CO -0.13 0.52 -0.17 0.15 -0.87 0.00 0.00 176.83 176.33 1n6o h PHE 108 N 0.11 0.67 -0.79 4.77 3.57 -0.88 -1.53 116.94 122.86 1n6o h PHE 108 Ca 0.01 -0.18 -0.04 0.00 3.53 0.00 0.00 57.97 61.29 1n6o h PHE 108 Cb 0.75 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.31 1n6o h PHE 108 CO 0.01 0.85 0.34 0.00 -2.23 0.00 0.00 178.31 177.27 1n6o h ALA 109 N 0.71 1.10 -0.63 2.41 0.00 -0.85 -2.41 119.26 119.59 1n6o h ALA 109 Ca 0.05 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1n6o h ALA 109 Cb 0.70 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1n6o h ALA 109 CO 0.05 0.65 0.17 -0.09 0.00 0.00 0.00 179.25 180.02 1n6o h ARG 110 N 1.14 0.98 -0.98 0.00 9.65 -1.04 -2.31 114.38 121.81 1n6o h ARG 110 Ca 0.27 -0.21 0.01 0.00 -1.10 0.00 0.00 59.98 58.94 1n6o h ARG 110 Cb 0.18 -0.14 -0.05 0.00 -1.39 0.00 0.00 29.97 28.57 1n6o h ARG 110 CO -0.03 0.86 0.64 0.00 2.80 0.00 0.00 179.97 184.25 1n6o h ALA 111 N 1.24 1.28 -0.33 2.80 0.00 -0.89 -1.63 119.26 121.74 1n6o h ALA 111 Ca 0.20 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1n6o h ALA 111 Cb 0.31 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1n6o h ALA 111 CO -0.00 0.66 0.05 0.87 0.00 0.00 0.00 179.25 180.83 1n6o h LYS 112 N 1.34 0.48 -0.04 0.00 1.57 -0.95 -0.88 116.57 118.09 1n6o h LYS 112 Ca 0.36 -0.08 -0.16 0.00 -1.87 0.00 0.00 60.65 58.90 1n6o h LYS 112 Cb -0.14 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.08 1n6o h LYS 112 CO -0.08 0.47 -0.69 -0.91 -0.57 0.00 0.00 179.45 177.67 1n6o h ASN 113 N 0.47 0.26 -0.55 0.86 2.35 -1.09 -1.54 115.58 116.34 1n6o h ASN 113 Ca 0.11 -0.17 -0.10 0.00 -0.55 0.00 0.00 56.30 55.59 1n6o h ASN 113 Cb 0.23 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 1n6o h ASN 113 CO 0.00 0.87 -0.06 -0.50 -1.65 0.00 0.00 177.43 176.09 1n6o h TRP 114 N 0.15 1.12 -0.27 1.19 -0.00 -0.68 -1.42 115.95 116.05 1n6o h TRP 114 Ca -0.02 -0.22 0.00 0.00 -0.00 0.00 0.00 58.89 58.66 1n6o h TRP 114 Cb 1.23 -0.28 -0.01 0.00 -0.00 0.00 0.00 29.16 30.10 1n6o h TRP 114 CO 0.02 1.03 0.17 0.28 -0.00 0.00 0.00 178.44 179.94 1n6o h VAL 115 N 0.89 1.09 -0.65 1.49 2.07 -0.97 -0.52 116.25 119.66 1n6o h VAL 115 Ca 0.15 -0.19 0.02 0.00 0.82 0.00 0.00 66.70 67.50 1n6o h VAL 115 Cb 0.62 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 1n6o h VAL 115 CO 0.04 0.09 0.41 0.11 0.02 0.00 0.00 177.57 178.23 1n6o h LYS 116 N 0.35 0.78 -0.67 1.57 1.57 -1.10 -0.47 116.57 118.59 1n6o h LYS 116 Ca 0.10 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 1n6o h LYS 116 Cb -0.01 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.10 1n6o h LYS 116 CO -0.02 0.52 0.21 1.49 -0.57 0.00 0.00 179.45 181.08 1n6o h GLU 117 N 0.81 1.02 -0.27 3.15 4.81 -0.84 -1.31 114.58 121.95 1n6o h GLU 117 Ca 0.26 -0.21 -0.06 0.00 -0.13 0.00 0.00 59.36 59.22 1n6o h GLU 117 Cb -0.01 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 1n6o h GLU 117 CO -0.09 0.88 -0.06 -0.07 -0.73 0.00 0.00 179.01 178.93 1n6o h LEU 118 N 0.99 0.52 -1.85 1.64 3.38 -0.62 0.22 115.31 119.59 1n6o h LEU 118 Ca 0.22 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 1n6o h LEU 118 Cb 0.28 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1n6o h LEU 118 CO -0.01 0.77 -0.14 1.56 0.09 0.00 0.00 178.44 180.71 1n6o h GLN 119 N 0.28 0.00 0.00 1.13 4.20 -0.79 0.02 115.11 119.94 1n6o h GLN 119 Ca 0.07 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.50 1n6o h GLN 119 Cb 0.54 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.26 1n6o h GLN 119 CO 0.03 0.14 -1.99 0.54 -0.67 0.00 0.00 178.83 176.87 1n6o n ARG 120 N -3.86 0.66 -0.00 1.46 1.74 -0.52 -4.73 116.66 111.41 1n6o n ARG 120 Ca -0.02 0.11 0.01 0.00 -0.77 0.00 0.00 57.85 57.17 1n6o n ARG 120 Cb 0.24 -1.65 -0.01 0.00 -1.02 0.00 0.00 32.46 30.01 1n6o n ARG 120 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1n6o n GLN 121 N -2.82 0.34 -1.05 5.56 1.13 0.76 -5.06 117.38 116.24 1n6o n GLN 121 Ca -0.22 -0.01 -0.10 0.00 -1.94 0.00 0.00 57.00 54.73 1n6o n GLN 121 Cb 1.03 -1.01 0.06 0.00 0.11 0.00 0.00 30.24 30.43 1n6o n GLN 121 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1n6o n ALA 122 N -1.52 -0.23 -1.74 -1.58 0.00 -0.02 -4.96 120.51 110.45 1n6o n ALA 122 Ca -0.00 -0.69 -0.42 0.00 0.00 0.00 0.00 53.44 52.32 1n6o n ALA 122 Cb 0.04 0.05 -0.01 0.00 0.00 0.00 0.00 19.45 19.53 1n6o n ALA 122 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1n6o n SER 123 N -3.13 3.30 0.29 0.00 2.88 -1.26 -4.88 113.62 110.81 1n6o n SER 123 Ca 0.06 1.21 0.16 0.00 -1.33 0.00 0.00 58.87 58.98 1n6o n SER 123 Cb 0.22 -1.55 0.84 0.00 -0.75 0.00 0.00 64.21 62.97 1n6o n SER 123 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1n6o h PRO 124 N 2.94 0.00 -0.69 -1.46 0.13 -1.93 -2.56 132.00 128.44 1n6o h PRO 124 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1n6o h PRO 124 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1n6o h PRO 124 CO 0.65 0.06 0.00 0.09 -0.23 0.00 0.00 178.00 178.57 1n6o n ASN 125 N -3.38 4.58 -4.76 1.44 5.03 -1.26 -4.99 115.26 111.91 1n6o n ASN 125 Ca -0.02 -2.30 -0.41 0.00 0.87 0.00 0.00 54.58 52.72 1n6o n ASN 125 Cb 0.21 -0.56 -0.02 0.00 -1.02 0.00 0.00 39.78 38.39 1n6o n ASN 125 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 1n6o s ILE 126 N -1.58 2.46 -0.28 2.41 2.07 -0.97 -4.97 121.20 120.35 1n6o s ILE 126 Ca 0.52 0.44 -0.19 0.00 -1.41 0.00 0.00 60.65 60.00 1n6o s ILE 126 Cb 0.31 -3.28 -0.02 0.00 0.13 0.00 0.00 42.46 39.60 1n6o s ILE 126 CO 0.28 0.09 0.56 -0.69 -1.91 0.00 0.00 174.94 173.28 1n6o s VAL 127 N -0.74 5.02 -0.21 4.00 1.01 -0.57 -4.97 120.40 123.93 1n6o s VAL 127 Ca 0.54 0.88 -0.05 0.00 0.00 0.00 0.00 61.98 63.35 1n6o s VAL 127 Cb -0.43 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.03 1n6o s VAL 127 CO 0.53 -0.00 -0.00 -0.63 0.00 0.00 0.00 175.10 174.99 1n6o s ILE 128 N 2.42 3.82 0.13 2.22 1.01 -1.26 -1.02 121.20 128.52 1n6o s ILE 128 Ca 0.23 -0.35 0.05 0.00 0.00 0.00 0.00 60.65 60.58 1n6o s ILE 128 Cb -0.15 -2.74 -0.04 0.00 0.01 0.00 0.00 42.46 39.54 1n6o s ILE 128 CO 0.10 0.42 0.04 0.00 0.00 0.00 0.00 174.94 175.49 1n6o s ALA 129 N 1.21 3.37 -0.15 9.38 0.00 0.09 -1.29 121.76 134.38 1n6o s ALA 129 Ca 0.03 -1.19 0.02 0.00 0.00 0.00 0.00 51.96 50.82 1n6o s ALA 129 Cb -0.15 -1.21 0.01 0.00 0.00 0.00 0.00 23.12 21.78 1n6o s ALA 129 CO 0.01 0.61 -0.21 -1.17 0.00 0.00 0.00 175.76 174.99 1n6o s LEU 130 N -2.66 2.10 -0.22 0.00 2.96 0.13 -0.64 118.68 120.35 1n6o s LEU 130 Ca 0.28 -0.61 -0.05 0.00 -0.22 0.00 0.00 54.13 53.53 1n6o s LEU 130 Cb -0.11 -1.44 -0.02 0.00 0.50 0.00 0.00 46.19 45.12 1n6o s LEU 130 CO 0.20 0.06 0.00 -0.55 -1.32 0.00 0.00 176.35 174.74 1n6o s SER 131 N 0.91 4.67 -0.82 3.68 0.15 0.19 -2.18 113.70 120.29 1n6o s SER 131 Ca -0.05 -0.29 -0.17 0.00 0.70 0.00 0.00 55.95 56.14 1n6o s SER 131 Cb -0.15 -1.81 0.16 0.00 -1.71 0.00 0.00 66.02 62.50 1n6o s SER 131 CO -0.04 -0.01 0.91 -0.83 1.20 0.00 0.00 173.24 174.48 1n6o s GLY 132 N 1.42 2.16 0.61 9.45 0.00 -0.75 -1.01 107.32 119.20 1n6o s GLY 132 Ca 0.05 -2.85 -0.05 0.00 0.00 0.00 0.00 44.72 41.86 1n6o s GLY 132 CO 0.00 1.66 0.92 0.21 0.00 0.00 0.00 173.10 175.88 1n6o s ASN 133 N 3.10 5.37 -0.79 1.64 2.47 0.40 -0.68 114.94 126.44 1n6o s ASN 133 Ca 0.23 0.58 -0.03 0.00 0.42 0.00 0.00 52.86 54.07 1n6o s ASN 133 Cb -0.11 -1.48 0.00 0.00 -1.45 0.00 0.00 41.25 38.21 1n6o s ASN 133 CO -0.06 -1.20 0.38 0.29 -3.72 0.00 0.00 177.10 172.79 1n6o n LYS 134 N -2.64 -2.88 0.26 0.43 5.02 -0.79 -1.42 118.16 116.13 1n6o n LYS 134 Ca 0.06 0.47 0.17 0.00 -2.02 0.00 0.00 58.31 56.99 1n6o n LYS 134 Cb 0.58 -4.40 0.83 0.00 -0.02 0.00 0.00 35.03 32.02 1n6o n LYS 134 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n6o h ALA 135 N 0.52 1.00 0.00 7.82 0.00 -1.47 0.23 119.26 127.37 1n6o h ALA 135 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1n6o h ALA 135 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1n6o h ALA 135 CO 0.30 0.00 0.00 0.38 0.00 0.00 0.00 179.25 179.93 1n6o h ASP 136 N 0.00 0.00 -0.86 0.00 2.03 -1.91 -2.89 116.42 112.79 1n6o h ASP 136 Ca 0.00 0.00 -0.54 0.00 -0.73 0.00 0.00 57.03 55.76 1n6o h ASP 136 Cb 0.22 0.00 -0.26 0.00 -0.83 0.00 0.00 39.33 38.46 1n6o h ASP 136 CO 0.00 0.00 0.70 0.18 -1.03 0.00 0.00 179.24 179.09 1n6o n LEU 137 N -2.62 7.02 0.32 0.15 4.77 0.07 -4.66 117.00 122.05 1n6o n LEU 137 Ca 0.01 -3.80 0.20 0.00 -0.03 0.00 0.00 56.01 52.38 1n6o n LEU 137 Cb 0.22 -0.93 1.10 0.00 -2.33 0.00 0.00 43.42 41.47 1n6o n LEU 137 CO 0.21 1.27 1.16 0.00 -1.33 0.00 0.00 177.39 178.70 1n6o h ALA 138 N 1.63 1.20 0.00 -1.18 0.00 -1.70 0.22 119.26 119.43 1n6o h ALA 138 Ca 0.53 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.44 1n6o h ALA 138 Cb 1.41 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1n6o h ALA 138 CO 1.24 0.00 0.00 0.27 0.00 0.00 0.00 179.25 180.77 1n6o n ASN 139 N -3.38 0.00 -0.27 0.00 6.94 -1.26 -1.99 115.26 115.31 1n6o n ASN 139 Ca -0.03 0.06 0.07 0.00 -0.02 0.00 0.00 54.58 54.66 1n6o n ASN 139 Cb 0.08 -0.29 0.12 0.00 -2.36 0.00 0.00 39.78 37.33 1n6o n ASN 139 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1n6o n LYS 140 N -1.29 1.03 -1.69 -3.83 5.02 0.06 -5.09 118.16 112.38 1n6o n LYS 140 Ca 0.08 -2.35 -0.43 0.00 -2.02 0.00 0.00 58.31 53.58 1n6o n LYS 140 Cb 0.13 -1.28 -0.01 0.00 -0.02 0.00 0.00 35.03 33.86 1n6o n LYS 140 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1n6o n ARG 141 N -1.06 2.15 0.00 1.97 0.63 -0.84 -4.41 116.66 115.09 1n6o n ARG 141 Ca 0.13 0.76 0.00 0.00 -0.92 0.00 0.00 57.85 57.82 1n6o n ARG 141 Cb 0.68 -2.38 0.00 0.00 0.45 0.00 0.00 32.46 31.20 1n6o n ARG 141 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1n6o n ALA 142 N 0.98 1.17 -4.05 5.13 0.00 0.48 -4.93 120.51 119.31 1n6o n ALA 142 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.20 1n6o n ALA 142 Cb 0.35 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.64 1n6o n ALA 142 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1n6o s VAL 143 N -0.65 1.88 0.25 0.00 1.01 -0.80 -4.65 120.40 117.44 1n6o s VAL 143 Ca 0.00 -1.16 -0.31 0.00 0.00 0.00 0.00 61.98 60.51 1n6o s VAL 143 Cb 0.00 -1.90 -0.12 0.00 0.00 0.00 0.00 36.38 34.36 1n6o s VAL 143 CO 0.00 0.21 1.66 -0.67 0.00 0.00 0.00 175.10 176.30 1n6o n ASP 144 N 4.60 3.94 0.01 3.32 -0.08 -1.26 -4.93 116.55 122.15 1n6o n ASP 144 Ca -0.16 1.11 -0.11 0.00 -1.51 0.00 0.00 54.79 54.12 1n6o n ASP 144 Cb 0.46 -1.59 -0.05 0.00 2.34 0.00 0.00 41.12 42.28 1n6o n ASP 144 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 1n6o h PHE 145 N 5.74 -0.02 -0.36 -0.67 3.57 -1.99 -1.96 116.94 121.25 1n6o h PHE 145 Ca -0.45 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.01 1n6o h PHE 145 Cb 1.21 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.96 1n6o h PHE 145 CO 0.61 -0.02 0.05 1.96 -2.23 0.00 0.00 178.31 178.67 1n6o h GLN 146 N 0.01 0.54 -0.51 1.11 1.08 -1.99 -0.00 115.11 115.35 1n6o h GLN 146 Ca 0.03 -0.10 -0.05 0.00 -1.45 0.00 0.00 58.65 57.08 1n6o h GLN 146 Cb 0.05 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.37 1n6o h GLN 146 CO -0.07 0.53 0.11 0.93 -0.95 0.00 0.00 178.83 179.38 1n6o h GLU 147 N 0.52 0.82 -0.51 1.46 5.08 -1.89 -0.01 114.58 120.06 1n6o h GLU 147 Ca 0.12 -0.21 -0.10 0.00 -1.00 0.00 0.00 59.36 58.17 1n6o h GLU 147 Cb 0.27 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1n6o h GLU 147 CO 0.00 0.80 -0.10 0.00 -1.00 0.00 0.00 179.01 178.71 1n6o h ALA 148 N 0.99 0.87 -0.59 3.43 0.00 -0.85 -1.32 119.26 121.79 1n6o h ALA 148 Ca 0.16 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1n6o h ALA 148 Cb 0.36 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1n6o h ALA 148 CO 0.00 0.65 0.25 0.37 0.00 0.00 0.00 179.25 180.53 1n6o h GLN 149 N 0.84 0.86 -0.30 0.00 5.75 -0.65 -0.54 115.11 121.07 1n6o h GLN 149 Ca 0.14 -0.15 -0.02 0.00 -0.15 0.00 0.00 58.65 58.47 1n6o h GLN 149 Cb 0.63 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 29.02 1n6o h GLN 149 CO 0.04 0.73 0.09 1.03 -2.65 0.00 0.00 178.83 178.07 1n6o h SER 150 N 0.81 0.44 -0.43 -0.69 0.87 -0.83 0.10 113.55 113.82 1n6o h SER 150 Ca 0.20 -0.21 0.04 0.00 -1.23 0.00 0.00 61.79 60.59 1n6o h SER 150 Cb 0.17 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 61.97 1n6o h SER 150 CO -0.02 0.53 0.19 0.22 -0.53 0.00 0.00 176.83 177.22 1n6o h TYR 151 N 0.32 0.35 -0.58 2.24 3.20 -1.03 -0.42 116.97 121.05 1n6o h TYR 151 Ca 0.10 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.94 1n6o h TYR 151 Cb 0.25 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 1n6o h TYR 151 CO 0.01 0.16 0.18 0.00 -1.64 0.00 0.00 178.16 176.87 1n6o h ALA 152 N 1.25 0.75 -0.39 1.82 0.00 -0.84 -2.42 119.26 119.43 1n6o h ALA 152 Ca 0.19 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1n6o h ALA 152 Cb 0.13 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1n6o h ALA 152 CO -0.16 0.42 0.15 -0.44 0.00 0.00 0.00 179.25 179.21 1n6o h ASP 153 N 0.81 0.54 0.46 0.00 3.32 -0.45 0.81 116.42 121.92 1n6o h ASP 153 Ca 0.19 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 1n6o h ASP 153 Cb 0.28 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 1n6o h ASP 153 CO -0.01 0.57 -0.11 0.44 -1.72 0.00 0.00 179.24 178.41 1n6o h ASP 154 N 0.48 0.00 -0.32 6.45 3.32 -0.99 -2.94 116.42 122.41 1n6o h ASP 154 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1n6o h ASP 154 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1n6o h ASP 154 CO -0.01 0.11 0.00 0.59 -1.72 0.00 0.00 179.24 178.21 1n6o n ASN 155 N -3.52 3.31 -3.54 6.45 4.13 -0.92 -5.00 115.26 116.16 1n6o n ASN 155 Ca -0.01 -2.36 -0.22 0.00 1.68 0.00 0.00 54.58 53.66 1n6o n ASN 155 Cb 0.25 -0.35 0.05 0.00 -1.54 0.00 0.00 39.78 38.20 1n6o n ASN 155 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1n6o n SER 156 N 0.18 -3.99 -4.36 6.41 7.64 -0.53 -5.02 113.62 113.94 1n6o n SER 156 Ca 0.15 -0.83 -0.30 0.00 1.01 0.00 0.00 58.87 58.90 1n6o n SER 156 Cb 0.60 -4.28 -0.14 0.00 -1.01 0.00 0.00 64.21 59.37 1n6o n SER 156 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1n6o s LEU 157 N -6.22 2.25 -0.55 -3.43 1.43 0.17 -4.70 118.68 107.62 1n6o s LEU 157 Ca 0.27 -0.53 -0.25 0.00 -1.03 0.00 0.00 54.13 52.59 1n6o s LEU 157 Cb -0.07 -1.34 0.04 0.00 0.03 0.00 0.00 46.19 44.85 1n6o s LEU 157 CO 0.80 0.27 0.98 -0.22 0.23 0.00 0.00 176.35 178.40 1n6o s LEU 158 N -1.18 4.01 -0.11 1.79 0.20 -0.41 -4.47 118.68 118.51 1n6o s LEU 158 Ca 0.12 -0.28 -0.03 0.00 0.69 0.00 0.00 54.13 54.62 1n6o s LEU 158 Cb -0.10 -2.88 -0.03 0.00 -0.43 0.00 0.00 46.19 42.75 1n6o s LEU 158 CO 0.02 -1.26 0.02 0.12 -0.29 0.00 0.00 176.35 174.96 1n6o s PHE 159 N 4.08 3.19 -0.15 5.38 5.36 -1.26 0.20 117.98 134.78 1n6o s PHE 159 Ca 0.32 0.14 -0.16 0.00 -0.96 0.00 0.00 56.93 56.27 1n6o s PHE 159 Cb -0.12 -1.86 0.04 0.00 -0.34 0.00 0.00 43.02 40.74 1n6o s PHE 159 CO 0.20 0.38 0.44 -1.64 -1.46 0.00 0.00 175.22 173.14 1n6o s MET 160 N -0.56 0.55 0.23 10.12 -1.94 -0.92 -4.97 119.30 121.80 1n6o s MET 160 Ca 0.10 0.55 -0.22 0.00 -1.71 0.00 0.00 55.69 54.41 1n6o s MET 160 Cb -0.12 0.26 -0.08 0.00 2.01 0.00 0.00 34.83 36.90 1n6o s MET 160 CO 0.02 -0.08 0.77 -1.21 -0.01 0.00 0.00 175.02 174.51 1n6o s GLU 161 N 0.07 4.36 0.13 2.03 2.02 -1.26 -1.81 118.70 124.23 1n6o s GLU 161 Ca -0.01 0.99 -0.00 0.00 0.02 0.00 0.00 54.97 55.96 1n6o s GLU 161 Cb -0.03 -2.94 -0.04 0.00 0.10 0.00 0.00 34.13 31.22 1n6o s GLU 161 CO 0.01 0.41 0.03 0.95 0.02 0.00 0.00 175.26 176.68 1n6o s THR 162 N -1.47 0.24 -0.20 3.63 -4.23 0.14 -4.66 115.64 109.09 1n6o s THR 162 Ca 0.43 -1.91 -0.05 0.00 -1.18 0.00 0.00 61.69 58.98 1n6o s THR 162 Cb -0.18 -1.97 0.07 0.00 1.34 0.00 0.00 72.50 71.76 1n6o s THR 162 CO 0.22 -0.56 0.11 -0.55 -0.54 0.00 0.00 174.62 173.30 1n6o s SER 163 N -3.05 2.50 0.37 3.99 0.15 -0.36 -1.54 113.70 115.76 1n6o s SER 163 Ca 0.21 -0.71 0.09 0.00 0.70 0.00 0.00 55.95 56.24 1n6o s SER 163 Cb 0.07 -0.22 0.73 0.00 -1.71 0.00 0.00 66.02 64.89 1n6o s SER 163 CO 0.00 -0.37 1.88 0.00 1.20 0.00 0.00 173.24 175.96 1n6o h ALA 164 N 8.41 1.44 -0.49 5.45 0.00 -1.89 0.30 119.26 132.48 1n6o h ALA 164 Ca -0.16 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 1n6o h ALA 164 Cb 1.12 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1n6o h ALA 164 CO 0.32 0.39 0.04 -0.22 0.00 0.00 0.00 179.25 179.78 1n6o h LYS 165 N 0.24 0.83 0.00 0.00 3.64 -1.93 -3.30 116.57 116.05 1n6o h LYS 165 Ca 0.05 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 1n6o h LYS 165 Cb 0.44 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1n6o h LYS 165 CO 0.03 0.86 -1.89 0.25 -2.27 0.00 0.00 179.45 176.43 1n6o n THR 166 N -4.38 0.00 -0.21 1.00 -2.24 -1.14 -4.98 114.28 102.33 1n6o n THR 166 Ca 0.01 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 1n6o n THR 166 Cb 0.29 0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 1n6o n THR 166 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1n6o n SER 167 N -2.18 0.00 -4.68 3.42 3.41 0.10 -5.04 113.62 108.66 1n6o n SER 167 Ca -0.03 0.00 -0.51 0.00 -0.26 0.00 0.00 58.87 58.07 1n6o n SER 167 Cb 0.54 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.44 1n6o n SER 167 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 1n6o n MET 168 N -2.00 1.73 -1.10 4.33 0.00 -1.08 -1.75 117.12 117.25 1n6o n MET 168 Ca 0.00 0.63 -0.07 0.00 0.00 0.00 0.00 57.70 58.27 1n6o n MET 168 Cb 0.00 -2.39 -0.03 0.00 0.00 0.00 0.00 33.22 30.80 1n6o n MET 168 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1n6o n ASN 169 N 5.22 -5.02 0.16 6.12 3.02 -1.26 -1.22 115.26 122.28 1n6o n ASN 169 Ca 0.22 0.16 -0.11 0.00 -0.03 0.00 0.00 54.58 54.83 1n6o n ASN 169 Cb 0.23 -3.51 -0.06 0.00 -0.61 0.00 0.00 39.78 35.82 1n6o n ASN 169 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1n6o h VAL 170 N 0.00 0.41 -0.73 2.41 2.07 -1.64 -1.34 116.25 117.44 1n6o h VAL 170 Ca -0.13 -0.74 -0.02 0.00 0.82 0.00 0.00 66.70 66.63 1n6o h VAL 170 Cb 0.98 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 1n6o h VAL 170 CO 0.20 0.09 0.39 0.78 0.02 0.00 0.00 177.57 179.05 1n6o h ASN 171 N -0.99 0.92 -0.86 0.57 -0.26 -1.90 -2.95 115.58 110.11 1n6o h ASN 171 Ca -0.05 -0.08 0.00 0.00 -0.56 0.00 0.00 56.30 55.61 1n6o h ASN 171 Cb 0.50 -0.23 -0.04 0.00 -1.06 0.00 0.00 38.32 37.49 1n6o h ASN 171 CO 0.08 0.75 0.54 -0.33 -1.06 0.00 0.00 177.43 177.41 1n6o h GLU 172 N 1.03 1.16 -0.39 0.81 3.07 -1.90 -0.79 114.58 117.56 1n6o h GLU 172 Ca 0.26 -0.09 -0.16 0.00 -0.50 0.00 0.00 59.36 58.87 1n6o h GLU 172 Cb 0.05 -0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 27.70 1n6o h GLU 172 CO -0.04 0.79 -0.37 0.97 -1.40 0.00 0.00 179.01 178.96 1n6o h ILE 173 N 1.18 1.27 -0.47 3.13 2.10 -1.07 -0.22 117.51 123.44 1n6o h ILE 173 Ca 0.31 -1.54 -0.10 0.00 1.08 0.00 0.00 64.86 64.61 1n6o h ILE 173 Cb -0.08 1.35 -0.02 0.00 -1.09 0.00 0.00 36.82 36.98 1n6o h ILE 173 CO -0.06 0.52 -0.11 -0.26 -1.08 0.00 0.00 178.15 177.16 1n6o h PHE 174 N 0.77 0.93 -0.34 2.19 0.04 -1.46 -2.34 116.94 116.73 1n6o h PHE 174 Ca 0.07 -0.18 -0.12 0.00 2.80 0.00 0.00 57.97 60.54 1n6o h PHE 174 Cb 0.96 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.86 1n6o h PHE 174 CO 0.06 0.90 -0.28 0.52 -0.60 0.00 0.00 178.31 178.91 1n6o h MET 175 N 0.76 0.71 -0.50 1.51 2.86 -1.00 -1.46 114.93 117.82 1n6o h MET 175 Ca 0.13 -0.31 -0.06 0.00 -2.06 0.00 0.00 59.70 57.40 1n6o h MET 175 Cb 0.61 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.22 1n6o h MET 175 CO 0.04 0.91 0.08 0.00 1.06 0.00 0.00 176.91 179.00 1n6o h ALA 176 N 1.07 1.20 -0.11 6.32 0.00 -0.83 -1.28 119.26 125.64 1n6o h ALA 176 Ca 0.08 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1n6o h ALA 176 Cb 0.79 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1n6o h ALA 176 CO 0.06 0.54 -0.05 0.82 0.00 0.00 0.00 179.25 180.62 1n6o h ILE 177 N 0.75 1.32 -0.80 0.00 2.04 -1.19 -2.90 117.51 116.73 1n6o h ILE 177 Ca 0.16 -1.07 0.13 0.00 1.00 0.00 0.00 64.86 65.08 1n6o h ILE 177 Cb 0.34 1.80 -0.09 0.00 -0.74 0.00 0.00 36.82 38.14 1n6o h ILE 177 CO 0.01 0.30 0.40 0.00 0.00 0.00 0.00 178.15 178.86 1n6o h ALA 178 N 0.65 1.17 -0.07 1.87 0.00 -0.99 -0.70 119.26 121.19 1n6o h ALA 178 Ca 0.02 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1n6o h ALA 178 Cb 0.50 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1n6o h ALA 178 CO 0.02 -0.08 -0.18 -0.22 0.00 0.00 0.00 179.25 178.79 1n6o h LYS 179 N 0.61 0.11 -0.00 0.00 3.64 -1.15 -2.80 116.57 116.98 1n6o h LYS 179 Ca 0.42 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 1n6o h LYS 179 Cb 0.55 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1n6o h LYS 179 CO -0.33 0.29 -0.34 1.63 -2.27 0.00 0.00 179.45 178.43 1n6o n LYS 180 N -4.28 0.41 -3.08 1.90 4.76 -0.34 -4.87 118.16 112.66 1n6o n LYS 180 Ca -0.02 -0.22 -0.39 0.00 -2.87 0.00 0.00 58.31 54.81 1n6o n LYS 180 Cb 0.27 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 31.91 1n6o n LYS 180 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1n6o s LEU 181 N -2.74 4.56 -0.13 -0.35 1.43 -0.75 -4.99 118.68 115.69 1n6o s LEU 181 Ca 0.18 1.51 -0.36 0.00 -1.03 0.00 0.00 54.13 54.43 1n6o s LEU 181 Cb 0.19 -3.19 -0.13 0.00 0.03 0.00 0.00 46.19 43.08 1n6o s LEU 181 CO 0.60 0.22 1.82 -2.65 0.23 0.00 0.00 176.35 176.56 1n6o n PRO 182 N 1.57 1.85 0.00 1.29 -0.02 -1.26 -4.87 135.00 133.56 1n6o n PRO 182 Ca -0.07 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1n6o n PRO 182 Cb 0.49 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 1n6o n PRO 182 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1n6o n LYS 183 N 6.06 1.19 -0.21 -0.52 5.02 -1.26 -5.07 118.16 123.37 1n6o n LYS 183 Ca 0.23 -0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 1n6o n LYS 183 Cb 0.24 -0.40 0.00 0.00 -0.02 0.00 0.00 35.03 34.85 1n6o n LYS 183 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97