#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nvu s THR 2 N 0.00 2.86 -0.10 3.17 2.01 -1.26 -4.83 115.64 117.49 1nvu s THR 2 Ca 0.00 0.83 0.01 0.00 0.31 0.00 0.00 61.69 62.84 1nvu s THR 2 Cb 0.00 -3.53 -0.02 0.00 0.01 0.00 0.00 72.50 68.96 1nvu s THR 2 CO 0.00 0.18 -0.13 -0.70 -0.69 0.00 0.00 174.62 173.29 1nvu s GLU 3 N -1.40 3.02 -0.19 4.92 2.12 -1.26 -1.18 118.70 124.74 1nvu s GLU 3 Ca 0.50 -0.67 -0.03 0.00 0.36 0.00 0.00 54.97 55.13 1nvu s GLU 3 Cb -0.39 -2.55 -0.02 0.00 0.26 0.00 0.00 34.13 31.44 1nvu s GLU 3 CO 0.49 0.40 -0.05 0.71 -0.54 0.00 0.00 175.26 176.27 1nvu s TYR 4 N -0.14 2.96 -0.48 5.30 2.02 0.84 -4.96 117.35 122.89 1nvu s TYR 4 Ca -0.00 -0.65 -0.18 0.00 -0.37 0.00 0.00 57.07 55.86 1nvu s TYR 4 Cb -0.13 -2.02 0.06 0.00 -0.40 0.00 0.00 41.96 39.46 1nvu s TYR 4 CO 0.03 -0.32 0.54 0.15 -1.57 0.00 0.00 175.55 174.39 1nvu s LYS 5 N 0.94 3.09 -0.11 -0.62 1.02 -1.26 -0.36 119.74 122.44 1nvu s LYS 5 Ca -0.00 -0.97 -0.03 0.00 0.02 0.00 0.00 55.97 54.98 1nvu s LYS 5 Cb -0.15 -4.08 -0.03 0.00 -0.52 0.00 0.00 37.83 33.04 1nvu s LYS 5 CO 0.01 -1.12 0.02 -0.51 -0.92 0.00 0.00 175.35 172.83 1nvu s LEU 6 N 2.32 3.67 -0.12 3.17 1.43 0.12 -0.61 118.68 128.66 1nvu s LEU 6 Ca 0.12 0.14 0.03 0.00 -1.03 0.00 0.00 54.13 53.40 1nvu s LEU 6 Cb -0.20 -1.86 0.00 0.00 0.03 0.00 0.00 46.19 44.16 1nvu s LEU 6 CO 0.11 0.33 -0.23 -0.69 0.23 0.00 0.00 176.35 176.11 1nvu s VAL 7 N -0.61 2.10 -0.28 -1.59 1.01 -0.71 -0.37 120.40 119.95 1nvu s VAL 7 Ca 0.10 -0.99 -0.11 0.00 0.00 0.00 0.00 61.98 60.99 1nvu s VAL 7 Cb -0.12 -1.82 -0.05 0.00 0.00 0.00 0.00 36.38 34.40 1nvu s VAL 7 CO 0.02 0.55 0.18 -0.69 0.00 0.00 0.00 175.10 175.16 1nvu s VAL 8 N 0.52 5.19 0.25 2.92 1.01 -0.59 -1.31 120.40 128.38 1nvu s VAL 8 Ca -0.14 0.11 0.07 0.00 0.00 0.00 0.00 61.98 62.02 1nvu s VAL 8 Cb -0.17 -3.48 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 1nvu s VAL 8 CO 0.05 0.25 -0.10 0.68 0.00 0.00 0.00 175.10 175.98 1nvu s VAL 9 N 1.74 1.72 0.00 2.92 -7.23 0.07 -4.29 120.40 115.32 1nvu s VAL 9 Ca 0.07 -2.17 0.00 0.00 -1.81 0.00 0.00 61.98 58.07 1nvu s VAL 9 Cb -0.16 -2.30 0.00 0.00 0.56 0.00 0.00 36.38 34.48 1nvu s VAL 9 CO 0.10 -0.41 0.00 0.61 -0.31 0.00 0.00 175.10 175.09 1nvu n GLY 10 N -0.52 2.51 3.70 2.32 0.00 -1.26 -0.99 105.19 110.96 1nvu n GLY 10 Ca -0.06 -1.37 -0.33 0.00 0.00 0.00 0.00 46.02 44.25 1nvu n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nvu s ALA 11 N -1.99 1.89 0.46 4.61 0.00 -1.26 -4.94 121.76 120.52 1nvu s ALA 11 Ca 0.00 0.80 -0.24 0.00 0.00 0.00 0.00 51.96 52.52 1nvu s ALA 11 Cb 0.00 -3.47 -0.07 0.00 0.00 0.00 0.00 23.12 19.58 1nvu s ALA 11 CO 0.00 -2.21 1.27 0.20 0.00 0.00 0.00 175.76 175.01 1nvu s GLY 12 N -2.24 2.87 -0.02 0.00 0.00 -1.26 -3.46 107.32 103.20 1nvu s GLY 12 Ca 0.72 1.15 0.00 0.00 0.00 0.00 0.00 44.72 46.60 1nvu s GLY 12 CO 0.50 1.68 0.00 0.61 0.00 0.00 0.00 173.10 175.89 1nvu n GLY 13 N 0.61 0.44 0.93 0.20 0.00 -1.26 -4.94 105.19 101.16 1nvu n GLY 13 Ca 0.07 -0.71 0.12 0.00 0.00 0.00 0.00 46.02 45.50 1nvu n GLY 13 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1nvu n VAL 14 N -2.99 0.09 -0.32 1.61 0.24 -1.23 -4.96 118.33 110.78 1nvu n VAL 14 Ca -0.00 -0.51 0.00 0.00 -2.04 0.00 0.00 64.34 61.79 1nvu n VAL 14 Cb 0.01 1.28 0.00 0.00 -1.47 0.00 0.00 33.84 33.66 1nvu n VAL 14 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1nvu n GLY 15 N 1.35 0.81 0.30 7.63 0.00 -1.26 -4.57 105.19 109.44 1nvu n GLY 15 Ca 0.16 -0.30 0.02 0.00 0.00 0.00 0.00 46.02 45.89 1nvu n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nvu h LYS 16 N 0.39 0.76 -0.50 1.61 1.57 -1.92 -2.48 116.57 115.99 1nvu h LYS 16 Ca 0.00 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.61 1nvu h LYS 16 Cb 0.00 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 1nvu h LYS 16 CO 0.00 0.50 -0.17 0.77 -0.57 0.00 0.00 179.45 179.98 1nvu h SER 17 N 0.78 1.00 -0.63 0.86 0.02 -1.94 -2.63 113.55 111.01 1nvu h SER 17 Ca 0.37 -0.36 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 1nvu h SER 17 Cb 0.31 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 1nvu h SER 17 CO -0.23 1.15 0.31 0.00 -1.14 0.00 0.00 176.83 176.92 1nvu h ALA 18 N 0.93 1.30 -0.27 3.77 0.00 -1.89 -0.55 119.26 122.55 1nvu h ALA 18 Ca 0.12 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1nvu h ALA 18 Cb 0.74 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1nvu h ALA 18 CO 0.06 0.54 0.06 -0.07 0.00 0.00 0.00 179.25 179.84 1nvu h LEU 19 N 0.93 0.41 -0.22 0.00 3.38 -1.26 0.17 115.31 118.73 1nvu h LEU 19 Ca 0.23 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1nvu h LEU 19 Cb 0.11 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1nvu h LEU 19 CO -0.03 0.54 0.13 0.74 0.09 0.00 0.00 178.44 179.91 1nvu h THR 20 N 0.27 1.09 -0.06 0.22 2.02 -1.15 -1.33 112.91 113.97 1nvu h THR 20 Ca 0.08 -0.24 0.01 0.00 0.77 0.00 0.00 66.41 67.03 1nvu h THR 20 Cb 0.29 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 1nvu h THR 20 CO 0.00 0.09 -0.00 0.40 0.37 0.00 0.00 175.52 176.38 1nvu h ILE 21 N 0.26 0.96 -0.23 3.11 2.04 -1.01 -0.38 117.51 122.25 1nvu h ILE 21 Ca 0.08 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.94 1nvu h ILE 21 Cb 0.04 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1nvu h ILE 21 CO -0.01 0.00 0.16 1.56 0.00 0.00 0.00 178.15 179.86 1nvu h GLN 22 N 0.02 0.30 0.08 2.37 1.08 -0.45 0.10 115.11 118.60 1nvu h GLN 22 Ca 0.03 -0.02 -0.21 0.00 -1.45 0.00 0.00 58.65 56.99 1nvu h GLN 22 Cb 0.03 -0.07 0.02 0.00 -0.05 0.00 0.00 27.48 27.41 1nvu h GLN 22 CO -0.05 0.20 -0.88 1.25 -0.95 0.00 0.00 178.83 178.40 1nvu h LEU 23 N 0.31 0.64 0.00 1.46 5.85 -0.77 -3.40 115.31 119.40 1nvu h LEU 23 Ca 0.09 -0.83 -0.01 0.00 0.84 0.00 0.00 57.88 57.96 1nvu h LEU 23 Cb -0.02 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 40.81 1nvu h LEU 23 CO -0.02 1.41 -0.16 0.40 -0.34 0.00 0.00 178.44 179.73 1nvu h ILE 24 N -0.04 0.44 -3.11 4.05 1.08 -0.70 -3.49 117.51 115.75 1nvu h ILE 24 Ca -0.13 -1.36 -0.51 0.00 -0.39 0.00 0.00 64.86 62.47 1nvu h ILE 24 Cb 1.61 0.86 0.22 0.00 -3.07 0.00 0.00 36.82 36.44 1nvu h ILE 24 CO 0.17 0.15 -0.70 0.00 -0.69 0.00 0.00 178.15 177.08 1nvu n GLN 25 N -4.70 -0.69 -3.08 2.37 10.64 0.33 -4.95 117.38 117.30 1nvu n GLN 25 Ca -0.05 -0.17 -0.41 0.00 -1.83 0.00 0.00 57.00 54.53 1nvu n GLN 25 Cb 0.19 -1.82 -0.06 0.00 -0.86 0.00 0.00 30.24 27.68 1nvu n GLN 25 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.06 176.44 1nvu s ASN 26 N -1.98 6.50 0.00 2.61 3.84 -1.26 -4.92 114.94 119.73 1nvu s ASN 26 Ca 0.57 0.37 0.16 0.00 0.21 0.00 0.00 52.86 54.17 1nvu s ASN 26 Cb -0.19 -2.35 0.95 0.00 -0.55 0.00 0.00 41.25 39.12 1nvu s ASN 26 CO 0.67 -0.55 1.61 1.41 -2.79 0.00 0.00 177.10 177.45 1nvu n HIS 27 N 6.02 0.00 -2.66 0.43 8.25 -1.26 -3.74 115.22 122.27 1nvu n HIS 27 Ca -0.00 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.25 1nvu n HIS 27 Cb 0.49 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.60 1nvu n HIS 27 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1nvu n PHE 28 N -0.75 2.52 -3.70 4.41 0.99 -1.26 -5.00 117.46 114.67 1nvu n PHE 28 Ca 0.12 -3.19 -0.11 0.00 -0.00 0.00 0.00 57.45 54.27 1nvu n PHE 28 Cb 0.05 -0.26 -0.11 0.00 -1.00 0.00 0.00 39.48 38.17 1nvu n PHE 28 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 1nvu s VAL 29 N -4.38 -0.03 0.27 -4.37 1.01 -1.25 -5.08 120.40 106.58 1nvu s VAL 29 Ca 0.41 0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.49 1nvu s VAL 29 Cb 0.40 -0.59 0.26 0.00 0.00 0.00 0.00 36.38 36.44 1nvu s VAL 29 CO -0.10 0.04 1.76 0.44 0.00 0.00 0.00 175.10 177.24 1nvu h ASP 30 N 7.09 0.58 -4.38 3.32 3.32 -1.94 -3.43 116.42 120.98 1nvu h ASP 30 Ca -0.37 0.09 -0.70 0.00 0.02 0.00 0.00 57.03 56.08 1nvu h ASP 30 Cb 1.18 -0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.46 1nvu h ASP 30 CO 0.30 0.23 -0.88 -1.61 -1.72 0.00 0.00 179.24 175.56 1nvu s GLU 31 N -5.94 1.90 -0.10 3.56 2.02 -1.26 -5.12 118.70 113.76 1nvu s GLU 31 Ca -0.12 -1.05 0.03 0.00 0.02 0.00 0.00 54.97 53.85 1nvu s GLU 31 Cb 0.23 -2.01 0.01 0.00 0.10 0.00 0.00 34.13 32.45 1nvu s GLU 31 CO 0.78 0.53 -0.19 -0.47 0.02 0.00 0.00 175.26 175.93 1nvu s TYR 32 N -0.75 2.22 -0.28 1.61 5.04 -1.26 -5.04 117.35 118.88 1nvu s TYR 32 Ca 0.11 -0.95 0.01 0.00 -2.44 0.00 0.00 57.07 53.80 1nvu s TYR 32 Cb -0.10 -1.53 0.08 0.00 0.35 0.00 0.00 41.96 40.76 1nvu s TYR 32 CO 0.01 -0.43 0.01 0.34 -1.34 0.00 0.00 175.55 174.15 1nvu s ASP 33 N 0.60 4.13 0.09 4.32 -1.08 -1.26 -4.99 116.67 118.49 1nvu s ASP 33 Ca -0.14 -1.55 0.19 0.00 -0.52 0.00 0.00 52.55 50.53 1nvu s ASP 33 Cb -0.17 -1.21 0.79 0.00 -1.46 0.00 0.00 42.92 40.87 1nvu s ASP 33 CO 0.04 -0.32 1.59 -0.81 0.52 0.00 0.00 175.17 176.20 1nvu n PRO 34 N 4.61 0.07 0.00 4.34 -0.04 -1.26 -2.69 135.00 140.04 1nvu n PRO 34 Ca -0.05 0.29 0.15 0.00 -0.04 0.00 0.00 63.50 63.84 1nvu n PRO 34 Cb 0.43 -1.63 0.69 0.00 -0.04 0.00 0.00 33.50 32.95 1nvu n PRO 34 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1nvu n THR 35 N -1.77 0.00 -2.74 0.52 -2.24 -1.26 -4.83 114.28 101.96 1nvu n THR 35 Ca 0.03 -0.05 -0.39 0.00 -2.27 0.00 0.00 64.05 61.37 1nvu n THR 35 Cb 0.21 -0.21 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 1nvu n THR 35 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1nvu s ILE 36 N -2.38 4.08 0.17 2.28 -1.09 -1.09 -4.99 121.20 118.18 1nvu s ILE 36 Ca 0.33 1.98 -0.32 0.00 -2.23 0.00 0.00 60.65 60.41 1nvu s ILE 36 Cb 0.20 -4.22 -0.16 0.00 -1.58 0.00 0.00 42.46 36.71 1nvu s ILE 36 CO 0.44 0.39 1.10 -0.62 -1.23 0.00 0.00 174.94 175.03 1nvu n GLU 37 N 1.21 1.04 -2.12 2.79 -0.58 -1.26 -2.30 120.64 119.42 1nvu n GLU 37 Ca -0.01 0.37 -0.18 0.00 -0.42 0.00 0.00 57.16 56.92 1nvu n GLU 37 Cb 0.48 -1.83 -0.03 0.00 -0.57 0.00 0.00 31.44 29.49 1nvu n GLU 37 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1nvu n ASP 38 N 1.92 -5.10 -0.10 1.62 10.43 -1.26 -4.81 116.55 119.25 1nvu n ASP 38 Ca 0.15 0.18 0.00 0.00 2.57 0.00 0.00 54.79 57.69 1nvu n ASP 38 Cb 0.24 -4.37 0.00 0.00 1.84 0.00 0.00 41.12 38.84 1nvu n ASP 38 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 1nvu n SER 39 N -1.65 0.15 0.00 -2.24 3.41 -0.97 -2.20 113.62 110.12 1nvu n SER 39 Ca -0.20 -1.54 0.00 0.00 -0.26 0.00 0.00 58.87 56.86 1nvu n SER 39 Cb 0.64 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 1nvu n SER 39 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nvu n TYR 40 N -0.38 0.00 -4.59 7.33 4.11 -1.26 -4.87 117.16 117.51 1nvu n TYR 40 Ca 0.00 -0.36 -0.29 0.00 -0.00 0.00 0.00 57.90 57.25 1nvu n TYR 40 Cb 0.04 -0.04 -0.14 0.00 -0.00 0.00 0.00 39.34 39.21 1nvu n TYR 40 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 1nvu s ARG 41 N -0.72 1.52 -0.18 -3.48 0.52 -0.93 -1.40 118.95 114.27 1nvu s ARG 41 Ca 0.00 -1.22 -0.10 0.00 -0.52 0.00 0.00 55.73 53.89 1nvu s ARG 41 Cb 0.00 -1.86 0.06 0.00 0.52 0.00 0.00 34.95 33.67 1nvu s ARG 41 CO 0.00 0.46 0.45 0.21 0.02 0.00 0.00 175.30 176.44 1nvu s LYS 42 N -1.70 0.43 -0.13 3.54 2.47 -0.75 -5.00 119.74 118.61 1nvu s LYS 42 Ca 0.12 0.85 -0.19 0.00 -1.56 0.00 0.00 55.97 55.20 1nvu s LYS 42 Cb -0.10 0.00 -0.04 0.00 -1.46 0.00 0.00 37.83 36.23 1nvu s LYS 42 CO 0.04 -0.16 0.50 -1.14 0.16 0.00 0.00 175.35 174.75 1nvu s GLN 43 N 1.45 4.33 0.16 4.03 0.74 -1.26 -0.79 119.66 128.32 1nvu s GLN 43 Ca -0.10 0.48 -0.01 0.00 0.05 0.00 0.00 55.36 55.79 1nvu s GLN 43 Cb -0.08 -3.46 -0.04 0.00 1.10 0.00 0.00 33.01 30.53 1nvu s GLN 43 CO -0.14 0.10 0.07 0.14 -0.55 0.00 0.00 175.29 174.92 1nvu s VAL 44 N 0.79 0.17 -0.22 1.34 -7.23 -0.13 -4.99 120.40 110.13 1nvu s VAL 44 Ca 0.27 -1.95 -0.00 0.00 -1.81 0.00 0.00 61.98 58.48 1nvu s VAL 44 Cb -0.15 -2.22 0.02 0.00 0.56 0.00 0.00 36.38 34.58 1nvu s VAL 44 CO 0.11 -0.30 -0.12 -0.69 -0.31 0.00 0.00 175.10 173.78 1nvu s VAL 45 N -4.02 2.56 -0.18 1.32 1.01 -1.26 -0.65 120.40 119.18 1nvu s VAL 45 Ca 0.29 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.33 1nvu s VAL 45 Cb 0.07 -2.20 0.03 0.00 0.00 0.00 0.00 36.38 34.27 1nvu s VAL 45 CO 0.06 0.36 -0.17 -0.63 0.00 0.00 0.00 175.10 174.72 1nvu s ILE 46 N 1.32 1.88 -1.37 2.22 1.01 -0.29 -4.70 121.20 121.26 1nvu s ILE 46 Ca 0.02 -0.91 -0.03 0.00 0.00 0.00 0.00 60.65 59.73 1nvu s ILE 46 Cb -0.15 -1.76 0.02 0.00 0.01 0.00 0.00 42.46 40.58 1nvu s ILE 46 CO -0.08 0.43 0.76 0.47 0.00 0.00 0.00 174.94 176.52 1nvu n ASP 47 N 4.66 -2.04 0.00 3.58 8.00 -1.26 -1.18 116.55 128.31 1nvu n ASP 47 Ca -0.19 -0.82 0.00 0.00 0.71 0.00 0.00 54.79 54.50 1nvu n ASP 47 Cb 0.49 -3.97 0.00 0.00 -0.02 0.00 0.00 41.12 37.62 1nvu n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nvu n GLY 48 N -1.63 0.88 3.45 0.44 0.00 -1.26 -4.97 105.19 102.10 1nvu n GLY 48 Ca -0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 1nvu n GLY 48 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nvu s GLU 49 N -0.31 3.61 0.18 1.61 2.12 -0.32 -5.08 118.70 120.50 1nvu s GLU 49 Ca 0.00 -0.52 -0.30 0.00 0.36 0.00 0.00 54.97 54.51 1nvu s GLU 49 Cb 0.00 -3.40 -0.07 0.00 0.26 0.00 0.00 34.13 30.92 1nvu s GLU 49 CO 0.00 -0.24 0.96 0.99 -0.54 0.00 0.00 175.26 176.43 1nvu s THR 50 N 1.62 4.25 0.25 -1.70 2.01 -1.26 -1.14 115.64 119.68 1nvu s THR 50 Ca 0.06 2.06 -0.13 0.00 0.31 0.00 0.00 61.69 63.98 1nvu s THR 50 Cb -0.16 -4.31 -0.00 0.00 0.01 0.00 0.00 72.50 68.04 1nvu s THR 50 CO 0.05 0.41 0.51 0.00 -0.69 0.00 0.00 174.62 174.89 1nvu s LEU 52 N -3.01 2.77 -0.21 0.00 2.96 -0.32 -0.96 118.68 119.91 1nvu s LEU 52 Ca 0.21 -0.41 -0.14 0.00 -0.22 0.00 0.00 54.13 53.58 1nvu s LEU 52 Cb -0.01 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.95 1nvu s LEU 52 CO 0.09 0.01 0.31 -0.76 -1.32 0.00 0.00 176.35 174.68 1nvu s LEU 53 N 1.26 4.15 -0.26 -0.68 1.02 0.03 -0.11 118.68 124.10 1nvu s LEU 53 Ca 0.03 0.38 -0.03 0.00 0.02 0.00 0.00 54.13 54.53 1nvu s LEU 53 Cb -0.14 -2.36 0.02 0.00 0.02 0.00 0.00 46.19 43.73 1nvu s LEU 53 CO -0.03 -0.01 -0.03 -0.62 0.02 0.00 0.00 176.35 175.68 1nvu s ASP 54 N 0.98 4.50 -0.19 2.29 3.68 0.52 -1.81 116.67 126.63 1nvu s ASP 54 Ca 0.15 -0.86 -0.04 0.00 2.13 0.00 0.00 52.55 53.92 1nvu s ASP 54 Cb -0.14 -1.71 -0.02 0.00 -1.45 0.00 0.00 42.92 39.60 1nvu s ASP 54 CO 0.06 -0.15 -0.02 -0.63 0.13 0.00 0.00 175.17 174.56 1nvu s ILE 55 N 1.35 3.76 -0.35 4.11 1.01 -0.49 -0.70 121.20 129.88 1nvu s ILE 55 Ca 0.00 -0.38 -0.11 0.00 0.00 0.00 0.00 60.65 60.16 1nvu s ILE 55 Cb -0.17 -2.69 0.01 0.00 0.01 0.00 0.00 42.46 39.62 1nvu s ILE 55 CO -0.03 0.44 0.20 -0.22 0.00 0.00 0.00 174.94 175.33 1nvu s LEU 56 N 0.98 4.52 -0.20 2.97 2.96 0.50 -4.86 118.68 125.54 1nvu s LEU 56 Ca 0.01 -0.76 0.00 0.00 -0.22 0.00 0.00 54.13 53.15 1nvu s LEU 56 Cb -0.14 -2.04 0.02 0.00 0.50 0.00 0.00 46.19 44.53 1nvu s LEU 56 CO 0.01 -0.31 -0.15 -0.62 -1.32 0.00 0.00 176.35 173.97 1nvu s ASP 57 N 1.60 3.62 -0.40 3.68 2.15 -1.26 -1.55 116.67 124.51 1nvu s ASP 57 Ca 0.04 -0.72 0.05 0.00 0.43 0.00 0.00 52.55 52.35 1nvu s ASP 57 Cb -0.18 -1.55 0.57 0.00 -0.30 0.00 0.00 42.92 41.46 1nvu s ASP 57 CO 0.07 -0.04 1.71 0.35 -0.17 0.00 0.00 175.17 177.09 1nvu n THR 58 N 4.63 2.96 -1.72 1.71 -2.24 -1.26 -4.99 114.28 113.36 1nvu n THR 58 Ca -0.19 -2.47 -0.42 0.00 -2.27 0.00 0.00 64.05 58.69 1nvu n THR 58 Cb 0.49 -0.50 -0.01 0.00 -2.10 0.00 0.00 70.33 68.20 1nvu n THR 58 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nvu n GLY 59 N -1.10 0.95 0.00 3.38 0.00 -1.26 -1.11 105.19 106.06 1nvu n GLY 59 Ca 0.49 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.89 1nvu n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nvu n GLY 60 N 1.26 3.27 1.07 -0.02 0.00 -1.26 -4.86 105.19 104.65 1nvu n GLY 60 Ca 0.06 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.16 1nvu n GLY 60 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1nvu n GLN 61 N -1.30 3.25 -0.06 1.61 6.02 -0.26 -4.69 117.38 121.95 1nvu n GLN 61 Ca 0.00 -2.64 0.20 0.00 -0.01 0.00 0.00 57.00 54.55 1nvu n GLN 61 Cb 0.00 -1.71 0.65 0.00 1.02 0.00 0.00 30.24 30.20 1nvu n GLN 61 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1nvu h GLU 62 N 2.67 0.10 0.00 -1.09 3.07 -1.90 -0.96 114.58 116.47 1nvu h GLU 62 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1nvu h GLU 62 Cb 1.26 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.15 1nvu h GLU 62 CO 0.17 0.07 0.00 0.93 -1.40 0.00 0.00 179.01 178.78 1nvu h GLU 63 N 0.10 0.00 -3.18 2.33 4.39 -1.95 -3.27 114.58 112.99 1nvu h GLU 63 Ca 0.30 0.00 -0.69 0.00 0.34 0.00 0.00 59.36 59.30 1nvu h GLU 63 Cb 1.04 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.67 1nvu h GLU 63 CO -0.03 0.00 3.40 0.66 -1.16 0.00 0.00 179.01 181.88 1nvu n TYR 64 N -2.96 2.71 0.30 4.33 4.01 -0.36 -4.74 117.16 120.45 1nvu n TYR 64 Ca 0.00 -3.02 0.17 0.00 -0.16 0.00 0.00 57.90 54.90 1nvu n TYR 64 Cb 0.27 -2.38 0.94 0.00 -0.31 0.00 0.00 39.34 37.85 1nvu n TYR 64 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1nvu h SER 65 N 5.19 0.00 0.80 7.72 4.64 -1.81 -1.58 113.55 128.51 1nvu h SER 65 Ca 0.76 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.08 1nvu h SER 65 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1nvu h SER 65 CO 1.76 0.03 -0.07 0.00 -0.87 0.00 0.00 176.83 177.68 1nvu n ALA 66 N -2.23 2.55 1.17 5.18 0.00 -1.26 -2.98 120.51 122.94 1nvu n ALA 66 Ca -0.02 -0.15 0.12 0.00 0.00 0.00 0.00 53.44 53.38 1nvu n ALA 66 Cb 0.13 -1.42 0.24 0.00 0.00 0.00 0.00 19.45 18.40 1nvu n ALA 66 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1nvu n MET 67 N -1.41 1.15 -0.02 0.00 2.00 -0.60 -4.44 117.12 113.80 1nvu n MET 67 Ca 0.09 -0.81 -0.10 0.00 0.00 0.00 0.00 57.70 56.88 1nvu n MET 67 Cb 0.31 -1.48 -0.04 0.00 0.00 0.00 0.00 33.22 32.01 1nvu n MET 67 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 175.97 175.88 1nvu h ARG 68 N 1.98 0.08 -0.35 0.03 9.65 -1.61 -1.85 114.38 122.31 1nvu h ARG 68 Ca 0.00 -0.00 0.06 0.00 -1.10 0.00 0.00 59.98 58.93 1nvu h ARG 68 Cb 0.63 -0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 29.14 1nvu h ARG 68 CO 0.00 0.05 0.03 -0.44 2.80 0.00 0.00 179.97 182.41 1nvu h ASP 69 N 0.08 -0.08 -0.14 -3.80 3.32 -1.82 -0.00 116.42 113.99 1nvu h ASP 69 Ca 0.07 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1nvu h ASP 69 Cb 0.07 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1nvu h ASP 69 CO -0.10 -0.00 0.09 -0.61 -1.72 0.00 0.00 179.24 176.90 1nvu h GLN 70 N 0.13 0.18 -0.74 3.56 4.15 -1.79 -0.78 115.11 119.82 1nvu h GLN 70 Ca 0.17 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.58 1nvu h GLN 70 Cb 0.22 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 27.83 1nvu h GLN 70 CO -0.26 0.14 0.49 1.88 -1.93 0.00 0.00 178.83 179.15 1nvu h TYR 71 N 0.17 0.93 -0.21 3.99 0.05 -0.98 -2.93 116.97 117.99 1nvu h TYR 71 Ca 0.05 0.02 -0.09 0.00 0.05 0.00 0.00 58.73 58.77 1nvu h TYR 71 Cb -0.01 -0.32 -0.01 0.00 1.01 0.00 0.00 36.73 37.41 1nvu h TYR 71 CO -0.06 0.59 -0.24 0.52 -1.05 0.00 0.00 178.16 177.91 1nvu h MET 72 N 1.00 0.39 0.00 4.88 2.86 -0.71 -3.00 114.93 120.36 1nvu h MET 72 Ca 0.27 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 1nvu h MET 72 Cb -0.11 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.52 1nvu h MET 72 CO -0.06 0.61 -0.05 -0.09 1.06 0.00 0.00 176.91 178.39 1nvu h ARG 73 N 0.35 0.00 0.00 1.72 2.43 -0.95 -2.26 114.38 115.67 1nvu h ARG 73 Ca 0.06 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1nvu h ARG 73 Cb 0.62 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 1nvu h ARG 73 CO 0.04 0.05 0.00 1.79 -1.51 0.00 0.00 179.97 180.34 1nvu h THR 74 N 0.00 0.00 -2.98 0.20 1.35 -1.60 -3.46 112.91 106.42 1nvu h THR 74 Ca -0.00 -0.35 -0.52 0.00 -0.55 0.00 0.00 66.41 64.99 1nvu h THR 74 Cb 0.21 1.19 -0.01 0.00 -1.73 0.00 0.00 68.15 67.80 1nvu h THR 74 CO 0.01 0.00 -0.24 -0.83 -0.25 0.00 0.00 175.52 174.21 1nvu s GLY 75 N -3.80 1.77 -0.16 5.82 0.00 -0.85 -4.89 107.32 105.21 1nvu s GLY 75 Ca 0.03 -0.73 0.19 0.00 0.00 0.00 0.00 44.72 44.21 1nvu s GLY 75 CO 0.46 -0.66 0.18 1.18 0.00 0.00 0.00 173.10 174.26 1nvu n GLU 76 N -0.90 0.68 -3.96 2.90 1.02 0.22 -4.99 120.64 115.62 1nvu n GLU 76 Ca -0.04 -0.04 -0.09 0.00 -0.02 0.00 0.00 57.16 56.97 1nvu n GLU 76 Cb 0.54 -1.53 -0.10 0.00 -0.02 0.00 0.00 31.44 30.33 1nvu n GLU 76 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1nvu s GLY 77 N -5.26 0.22 -0.02 0.62 0.00 -1.16 -4.27 107.32 97.44 1nvu s GLY 77 Ca -0.09 -0.60 0.03 0.00 0.00 0.00 0.00 44.72 44.06 1nvu s GLY 77 CO 0.85 -0.71 -0.11 -1.36 0.00 0.00 0.00 173.10 171.77 1nvu s PHE 78 N -2.25 1.08 -0.29 1.90 0.40 -0.26 -1.74 117.98 116.82 1nvu s PHE 78 Ca -0.08 -0.25 -0.10 0.00 -0.60 0.00 0.00 56.93 55.90 1nvu s PHE 78 Cb -0.04 -0.73 -0.03 0.00 0.51 0.00 0.00 43.02 42.74 1nvu s PHE 78 CO -0.03 -0.07 0.15 -1.17 0.70 0.00 0.00 175.22 174.80 1nvu s LEU 79 N -0.03 3.96 -0.42 -0.37 2.96 -0.43 -1.32 118.68 123.02 1nvu s LEU 79 Ca 0.00 -0.29 -0.12 0.00 -0.22 0.00 0.00 54.13 53.50 1nvu s LEU 79 Cb -0.07 -2.03 0.06 0.00 0.50 0.00 0.00 46.19 44.65 1nvu s LEU 79 CO 0.00 -0.12 0.29 0.00 -1.32 0.00 0.00 176.35 175.20 1nvu s VAL 81 N 1.56 4.69 0.16 0.00 1.01 -0.16 -0.25 120.40 127.41 1nvu s VAL 81 Ca 0.03 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 61.93 1nvu s VAL 81 Cb -0.22 -3.02 -0.05 0.00 0.00 0.00 0.00 36.38 33.09 1nvu s VAL 81 CO 0.06 0.57 0.01 0.72 0.00 0.00 0.00 175.10 176.46 1nvu s PHE 82 N -0.60 1.14 -0.17 5.22 -0.12 -0.57 -4.07 117.98 118.82 1nvu s PHE 82 Ca 0.11 -1.05 -0.08 0.00 -0.05 0.00 0.00 56.93 55.86 1nvu s PHE 82 Cb -0.12 -0.65 -0.04 0.00 -0.63 0.00 0.00 43.02 41.58 1nvu s PHE 82 CO 0.02 -0.25 0.10 0.00 -0.05 0.00 0.00 175.22 175.03 1nvu s ALA 83 N -3.71 3.59 -0.32 1.99 0.00 -1.26 -1.23 121.76 120.81 1nvu s ALA 83 Ca 0.23 -0.71 0.24 0.00 0.00 0.00 0.00 51.96 51.72 1nvu s ALA 83 Cb 0.06 -1.97 1.10 0.00 0.00 0.00 0.00 23.12 22.31 1nvu s ALA 83 CO 0.03 0.30 1.71 -0.84 0.00 0.00 0.00 175.76 176.97 1nvu h ILE 84 N 4.55 0.00 -0.49 0.00 3.07 -1.61 -0.48 117.51 122.55 1nvu h ILE 84 Ca -0.43 -0.14 0.00 0.00 1.55 0.00 0.00 64.86 65.83 1nvu h ILE 84 Cb 1.18 0.79 0.00 0.00 -0.27 0.00 0.00 36.82 38.51 1nvu h ILE 84 CO 0.68 0.00 0.00 -0.46 -1.05 0.00 0.00 178.15 177.32 1nvu n ASN 85 N -2.29 4.41 -3.63 2.16 0.23 -1.26 -0.19 115.26 114.68 1nvu n ASN 85 Ca 0.01 -2.61 -0.29 0.00 -0.53 0.00 0.00 54.58 51.15 1nvu n ASN 85 Cb 0.15 -0.53 -0.14 0.00 -2.08 0.00 0.00 39.78 37.18 1nvu n ASN 85 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 1nvu s ASN 86 N -1.18 3.64 0.31 0.53 3.84 -0.19 -4.68 114.94 117.21 1nvu s ASN 86 Ca 0.45 -1.85 0.00 0.00 0.21 0.00 0.00 52.86 51.67 1nvu s ASN 86 Cb 0.31 -0.69 0.52 0.00 -0.55 0.00 0.00 41.25 40.85 1nvu s ASN 86 CO 0.18 -0.37 1.95 0.74 -2.79 0.00 0.00 177.10 176.80 1nvu h THR 87 N 5.96 1.13 -0.43 -5.21 2.02 -1.87 -2.37 112.91 112.14 1nvu h THR 87 Ca -0.09 -0.35 -0.00 0.00 0.77 0.00 0.00 66.41 66.74 1nvu h THR 87 Cb 0.99 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 1nvu h THR 87 CO 0.43 0.19 0.27 0.50 0.37 0.00 0.00 175.52 177.27 1nvu h LYS 88 N 1.03 0.58 -0.03 6.66 3.11 -1.94 -0.19 116.57 125.79 1nvu h LYS 88 Ca 0.33 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 58.13 1nvu h LYS 88 Cb 0.04 -0.12 -0.00 0.00 -1.00 0.00 0.00 32.23 31.15 1nvu h LYS 88 CO -0.10 0.42 0.02 0.66 -2.81 0.00 0.00 179.45 177.64 1nvu h SER 89 N 0.58 0.02 -0.20 4.20 4.64 -1.77 -0.18 113.55 120.84 1nvu h SER 89 Ca 0.16 -0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.32 1nvu h SER 89 Cb -0.02 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1nvu h SER 89 CO -0.03 0.02 -0.47 0.15 -0.87 0.00 0.00 176.83 175.63 1nvu h PHE 90 N 0.03 0.85 0.00 4.77 3.57 -1.06 -3.10 116.94 122.00 1nvu h PHE 90 Ca 0.01 -0.32 -0.03 0.00 3.53 0.00 0.00 57.97 61.16 1nvu h PHE 90 Cb 0.01 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.59 1nvu h PHE 90 CO -0.00 1.10 -0.13 0.93 -2.23 0.00 0.00 178.31 177.99 1nvu h GLU 91 N 0.36 0.00 0.00 1.11 5.08 0.01 -2.51 114.58 118.63 1nvu h GLU 91 Ca -0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1nvu h GLU 91 Cb 1.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1nvu h GLU 91 CO 0.10 0.13 -0.20 -0.44 -1.00 0.00 0.00 179.01 177.59 1nvu h ASP 92 N 0.00 0.00 -0.71 1.42 3.32 -1.00 -3.34 116.42 116.10 1nvu h ASP 92 Ca -0.00 0.00 0.15 0.00 0.02 0.00 0.00 57.03 57.20 1nvu h ASP 92 Cb 0.55 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.99 1nvu h ASP 92 CO 0.02 0.20 0.14 0.40 -1.72 0.00 0.00 179.24 178.28 1nvu h ILE 93 N 0.00 0.50 -0.70 0.35 1.08 -1.44 -1.89 117.51 115.40 1nvu h ILE 93 Ca -0.00 -0.08 0.13 0.00 -0.39 0.00 0.00 64.86 64.52 1nvu h ILE 93 Cb 0.88 0.25 -0.09 0.00 -3.07 0.00 0.00 36.82 34.78 1nvu h ILE 93 CO 0.03 0.04 0.24 -0.74 -0.69 0.00 0.00 178.15 177.03 1nvu h HIS 94 N 0.23 0.40 -0.09 1.37 2.76 -1.78 -1.05 115.15 116.99 1nvu h HIS 94 Ca 0.40 0.04 -0.13 0.00 -2.20 0.00 0.00 60.37 58.47 1nvu h HIS 94 Cb 0.68 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.55 1nvu h HIS 94 CO -0.29 0.03 -0.53 0.37 -1.30 0.00 0.00 177.93 176.21 1nvu h GLN 95 N 0.38 0.25 -0.55 5.26 5.75 -1.60 -2.00 115.11 122.59 1nvu h GLN 95 Ca 0.38 -0.15 -0.06 0.00 -0.15 0.00 0.00 58.65 58.67 1nvu h GLN 95 Cb 0.58 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.12 1nvu h GLN 95 CO -0.41 0.72 0.11 1.88 -2.65 0.00 0.00 178.83 178.48 1nvu h TYR 96 N 0.20 0.94 -0.27 3.99 0.05 -0.97 -1.02 116.97 119.88 1nvu h TYR 96 Ca 0.00 -0.12 -0.02 0.00 0.05 0.00 0.00 58.73 58.65 1nvu h TYR 96 Cb 0.99 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 38.46 1nvu h TYR 96 CO 0.02 0.82 0.11 -0.09 -1.05 0.00 0.00 178.16 177.97 1nvu h ARG 97 N 0.79 0.41 -0.89 4.88 2.43 -1.09 -1.03 114.38 119.88 1nvu h ARG 97 Ca 0.17 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1nvu h ARG 97 Cb 0.37 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.81 1nvu h ARG 97 CO 0.01 0.44 0.55 0.93 -1.51 0.00 0.00 179.97 180.39 1nvu h GLU 98 N 0.29 1.19 -0.32 0.20 4.39 -1.20 -1.14 114.58 117.98 1nvu h GLU 98 Ca 0.09 -0.09 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 1nvu h GLU 98 Cb 0.19 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 1nvu h GLU 98 CO -0.01 0.82 -0.26 0.37 -1.16 0.00 0.00 179.01 178.77 1nvu h GLN 99 N 1.21 0.64 -0.37 2.33 4.15 -0.88 -1.36 115.11 120.83 1nvu h GLN 99 Ca 0.32 -0.26 -0.05 0.00 0.77 0.00 0.00 58.65 59.43 1nvu h GLN 99 Cb -0.08 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.57 1nvu h GLN 99 CO -0.06 0.84 0.05 0.82 -1.93 0.00 0.00 178.83 178.54 1nvu h ILE 100 N 0.56 1.24 -0.92 2.39 2.04 -0.65 -0.70 117.51 121.48 1nvu h ILE 100 Ca 0.08 -0.88 0.01 0.00 1.00 0.00 0.00 64.86 65.06 1nvu h ILE 100 Cb 0.73 1.10 -0.05 0.00 -0.74 0.00 0.00 36.82 37.87 1nvu h ILE 100 CO 0.06 0.30 0.59 0.11 0.00 0.00 0.00 178.15 179.21 1nvu h LYS 101 N 0.46 1.22 0.05 2.37 1.57 -1.01 -1.06 116.57 120.17 1nvu h LYS 101 Ca 0.11 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1nvu h LYS 101 Cb 0.38 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1nvu h LYS 101 CO 0.01 0.82 -0.03 -0.09 -0.57 0.00 0.00 179.45 179.59 1nvu h ARG 102 N 1.25 -0.07 0.00 3.15 2.43 -0.97 0.13 114.38 120.31 1nvu h ARG 102 Ca 0.33 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.45 1nvu h ARG 102 Cb -0.12 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 1nvu h ARG 102 CO -0.07 0.26 -0.28 -0.39 -1.51 0.00 0.00 179.97 177.98 1nvu h VAL 103 N -0.40 0.89 -0.01 0.20 -1.51 -0.96 -2.02 116.25 112.45 1nvu h VAL 103 Ca -0.01 -1.09 0.00 0.00 -1.23 0.00 0.00 66.70 64.37 1nvu h VAL 103 Cb 0.36 1.65 0.00 0.00 -2.13 0.00 0.00 31.29 31.16 1nvu h VAL 103 CO 0.01 0.27 -0.34 0.29 -1.23 0.00 0.00 177.57 176.57 1nvu n LYS 104 N -3.75 0.75 -3.86 5.19 4.76 -0.42 -4.88 118.16 115.95 1nvu n LYS 104 Ca -0.01 -0.48 -0.29 0.00 -2.87 0.00 0.00 58.31 54.66 1nvu n LYS 104 Cb 0.38 -1.49 0.01 0.00 -1.84 0.00 0.00 35.03 32.09 1nvu n LYS 104 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1nvu n ASP 105 N -0.71 -2.27 -3.59 4.39 2.03 0.42 -4.98 116.55 111.85 1nvu n ASP 105 Ca 0.11 -1.02 -0.16 0.00 0.52 0.00 0.00 54.79 54.24 1nvu n ASP 105 Cb 0.36 -3.11 -0.07 0.00 -0.72 0.00 0.00 41.12 37.58 1nvu n ASP 105 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1nvu s SER 106 N -4.01 -0.67 0.00 1.67 0.15 -0.92 -5.03 113.70 104.90 1nvu s SER 106 Ca 0.19 1.03 0.27 0.00 0.70 0.00 0.00 55.95 58.15 1nvu s SER 106 Cb -0.07 0.97 0.98 0.00 -1.71 0.00 0.00 66.02 66.19 1nvu s SER 106 CO 0.88 -0.41 1.71 0.47 1.20 0.00 0.00 173.24 177.09 1nvu n ASP 107 N 1.86 1.60 -3.39 5.45 9.92 -1.26 -4.48 116.55 126.25 1nvu n ASP 107 Ca -0.16 -1.54 -0.26 0.00 -0.53 0.00 0.00 54.79 52.29 1nvu n ASP 107 Cb 0.56 -0.01 -0.08 0.00 -0.64 0.00 0.00 41.12 40.95 1nvu n ASP 107 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1nvu n ASP 108 N 0.26 1.87 -4.80 -2.24 2.03 -1.26 -5.09 116.55 107.31 1nvu n ASP 108 Ca 0.19 -3.02 -0.36 0.00 0.52 0.00 0.00 54.79 52.12 1nvu n ASP 108 Cb 0.37 -0.66 -0.07 0.00 -0.72 0.00 0.00 41.12 40.04 1nvu n ASP 108 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1nvu s VAL 109 N -1.59 5.40 0.02 5.18 1.01 -1.26 -5.04 120.40 124.12 1nvu s VAL 109 Ca 0.36 0.32 -0.30 0.00 0.00 0.00 0.00 61.98 62.35 1nvu s VAL 109 Cb 0.12 -3.49 -0.08 0.00 0.00 0.00 0.00 36.38 32.93 1nvu s VAL 109 CO -0.09 0.51 1.85 -2.84 0.00 0.00 0.00 175.10 174.54 1nvu s PRO 110 N -0.29 4.16 0.11 2.72 0.02 -1.26 -4.95 135.00 135.50 1nvu s PRO 110 Ca 0.14 2.48 -0.20 0.00 0.02 0.00 0.00 61.00 63.44 1nvu s PRO 110 Cb -0.12 -4.03 0.05 0.00 0.02 0.00 0.00 34.50 30.42 1nvu s PRO 110 CO 0.03 -0.90 0.49 0.00 -0.33 0.00 0.00 177.00 176.29 1nvu s MET 111 N 4.07 1.11 -0.02 5.54 0.23 -1.26 -1.10 119.30 127.86 1nvu s MET 111 Ca 0.83 -0.49 0.03 0.00 -1.03 0.00 0.00 55.69 55.02 1nvu s MET 111 Cb -0.40 0.50 -0.00 0.00 -1.53 0.00 0.00 34.83 33.40 1nvu s MET 111 CO 0.37 -0.44 -0.11 0.08 -2.03 0.00 0.00 175.02 172.89 1nvu s VAL 112 N -3.35 0.91 -0.10 5.16 1.01 -0.44 -4.31 120.40 119.28 1nvu s VAL 112 Ca -0.00 -0.45 -0.21 0.00 0.00 0.00 0.00 61.98 61.32 1nvu s VAL 112 Cb 0.00 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 1nvu s VAL 112 CO -0.09 0.27 0.61 -0.22 0.00 0.00 0.00 175.10 175.67 1nvu s LEU 113 N 0.03 4.28 -0.12 3.92 2.96 -0.47 -1.06 118.68 128.23 1nvu s LEU 113 Ca -0.01 1.00 0.02 0.00 -0.22 0.00 0.00 54.13 54.91 1nvu s LEU 113 Cb -0.08 -2.91 0.02 0.00 0.50 0.00 0.00 46.19 43.72 1nvu s LEU 113 CO 0.00 -0.09 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.10 1nvu s VAL 114 N 0.88 1.56 -0.27 1.68 1.01 0.66 -1.20 120.40 124.72 1nvu s VAL 114 Ca 0.32 -0.67 -0.08 0.00 0.00 0.00 0.00 61.98 61.55 1nvu s VAL 114 Cb -0.16 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 1nvu s VAL 114 CO 0.14 0.45 0.10 -0.83 0.00 0.00 0.00 175.10 174.97 1nvu s GLY 115 N 1.06 1.81 -0.08 4.51 0.00 -0.38 -1.52 107.32 112.73 1nvu s GLY 115 Ca -0.04 -1.19 0.00 0.00 0.00 0.00 0.00 44.72 43.49 1nvu s GLY 115 CO -0.03 0.59 -0.07 0.21 0.00 0.00 0.00 173.10 173.80 1nvu s ASN 116 N 1.63 4.65 -0.42 1.64 2.47 -0.36 -0.29 114.94 124.25 1nvu s ASN 116 Ca 0.06 -0.05 -0.18 0.00 0.42 0.00 0.00 52.86 53.12 1nvu s ASN 116 Cb -0.16 -1.28 0.02 0.00 -1.45 0.00 0.00 41.25 38.39 1nvu s ASN 116 CO 0.05 0.33 0.46 -0.75 -3.72 0.00 0.00 177.10 173.47 1nvu s LYS 117 N -0.60 3.12 -0.05 0.43 2.20 0.09 -1.54 119.74 123.40 1nvu s LYS 117 Ca 0.09 -0.71 0.05 0.00 -0.36 0.00 0.00 55.97 55.04 1nvu s LYS 117 Cb -0.12 -3.96 -0.25 0.00 -1.51 0.00 0.00 37.83 31.99 1nvu s LYS 117 CO 0.02 -0.87 0.64 0.00 -0.36 0.00 0.00 175.35 174.78 1nvu n ASP 119 N -3.24 0.00 -1.26 0.00 5.75 -1.26 -4.94 116.55 111.59 1nvu n ASP 119 Ca -0.20 -0.16 0.11 0.00 -0.01 0.00 0.00 54.79 54.52 1nvu n ASP 119 Cb 1.04 0.00 0.30 0.00 -1.03 0.00 0.00 41.12 41.44 1nvu n ASP 119 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1nvu n LEU 120 N 0.00 3.66 -4.73 -2.12 4.77 -1.26 -4.96 117.00 112.36 1nvu n LEU 120 Ca 0.00 -1.83 -0.32 0.00 -0.03 0.00 0.00 56.01 53.83 1nvu n LEU 120 Cb 0.00 -0.46 0.10 0.00 -2.33 0.00 0.00 43.42 40.74 1nvu n LEU 120 CO 0.00 0.90 0.72 0.00 -1.33 0.00 0.00 177.39 177.68 1nvu s ALA 121 N -1.12 2.04 0.27 -1.18 0.00 -1.26 -4.91 121.76 115.61 1nvu s ALA 121 Ca 0.45 0.54 -0.31 0.00 0.00 0.00 0.00 51.96 52.65 1nvu s ALA 121 Cb 0.24 -3.37 -0.12 0.00 0.00 0.00 0.00 23.12 19.87 1nvu s ALA 121 CO 0.31 -1.98 1.62 0.00 0.00 0.00 0.00 175.76 175.70 1nvu n ALA 122 N -3.35 2.56 -1.87 0.00 0.00 -1.26 -4.91 120.51 111.67 1nvu n ALA 122 Ca 0.11 0.38 -0.41 0.00 0.00 0.00 0.00 53.44 53.52 1nvu n ALA 122 Cb 0.52 -2.47 -0.03 0.00 0.00 0.00 0.00 19.45 17.47 1nvu n ALA 122 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1nvu s ARG 123 N -0.11 4.38 -0.00 0.00 3.52 -1.26 -4.53 118.95 120.95 1nvu s ARG 123 Ca 0.67 2.13 0.01 0.00 -0.13 0.00 0.00 55.73 58.42 1nvu s ARG 123 Cb -0.50 -3.13 -0.02 0.00 -1.56 0.00 0.00 34.95 29.73 1nvu s ARG 123 CO 0.45 -0.21 0.05 0.25 -0.81 0.00 0.00 175.30 175.02 1nvu n THR 124 N 1.75 0.00 -3.96 4.11 -2.24 0.74 -4.93 114.28 109.74 1nvu n THR 124 Ca 0.03 -0.27 -0.34 0.00 -2.27 0.00 0.00 64.05 61.20 1nvu n THR 124 Cb 0.42 0.76 -0.14 0.00 -2.10 0.00 0.00 70.33 69.27 1nvu n THR 124 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1nvu s VAL 125 N -1.57 2.91 0.45 2.28 1.01 -0.47 -4.91 120.40 120.10 1nvu s VAL 125 Ca 0.00 -0.86 -0.15 0.00 0.00 0.00 0.00 61.98 60.97 1nvu s VAL 125 Cb 0.01 -2.40 -0.08 0.00 0.00 0.00 0.00 36.38 33.91 1nvu s VAL 125 CO 0.06 0.31 0.90 -1.61 0.00 0.00 0.00 175.10 174.76 1nvu s GLU 126 N 1.37 3.95 0.29 2.72 0.41 -1.26 -4.90 118.70 121.27 1nvu s GLU 126 Ca 0.03 0.82 0.04 0.00 -0.41 0.00 0.00 54.97 55.45 1nvu s GLU 126 Cb -0.15 -2.24 0.73 0.00 -1.78 0.00 0.00 34.13 30.69 1nvu s GLU 126 CO -0.05 -0.13 1.69 1.03 -0.49 0.00 0.00 175.26 177.31 1nvu h SER 127 N 1.29 0.31 -0.54 -0.19 0.87 -1.99 -1.78 113.55 111.52 1nvu h SER 127 Ca -0.47 0.16 -0.07 0.00 -1.23 0.00 0.00 61.79 60.17 1nvu h SER 127 Cb 1.18 0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 63.26 1nvu h SER 127 CO 0.62 -0.01 0.07 -0.09 -0.53 0.00 0.00 176.83 176.89 1nvu h ARG 128 N 0.38 0.95 -0.58 2.24 9.65 -1.98 0.11 114.38 125.15 1nvu h ARG 128 Ca 0.56 -0.25 -0.03 0.00 -1.10 0.00 0.00 59.98 59.17 1nvu h ARG 128 Cb 1.07 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 29.51 1nvu h ARG 128 CO -0.54 0.90 0.25 1.96 2.80 0.00 0.00 179.97 185.34 1nvu h GLN 129 N 0.89 0.85 -0.38 0.20 4.20 -1.72 0.33 115.11 119.49 1nvu h GLN 129 Ca 0.18 -0.14 -0.15 0.00 0.06 0.00 0.00 58.65 58.59 1nvu h GLN 129 Cb 0.43 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 1nvu h GLN 129 CO 0.01 0.72 -0.36 0.00 -0.67 0.00 0.00 178.83 178.53 1nvu h ALA 130 N 1.09 0.55 -0.61 3.87 0.00 -1.21 -1.48 119.26 121.47 1nvu h ALA 130 Ca 0.20 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1nvu h ALA 130 Cb 0.17 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1nvu h ALA 130 CO -0.02 0.63 0.34 1.96 0.00 0.00 0.00 179.25 182.17 1nvu h GLN 131 N 0.72 0.84 -0.75 0.00 1.08 -0.51 -0.13 115.11 116.36 1nvu h GLN 131 Ca 0.06 -0.09 -0.05 0.00 -1.45 0.00 0.00 58.65 57.12 1nvu h GLN 131 Cb 0.95 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 28.18 1nvu h GLN 131 CO 0.09 0.63 0.26 -0.44 -0.95 0.00 0.00 178.83 178.42 1nvu h ASP 132 N 0.83 1.06 -0.11 1.46 3.32 -0.83 0.59 116.42 122.74 1nvu h ASP 132 Ca 0.22 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1nvu h ASP 132 Cb 0.02 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.29 1nvu h ASP 132 CO -0.04 0.97 0.03 0.25 -1.72 0.00 0.00 179.24 178.73 1nvu h LEU 133 N 1.10 0.17 -0.92 1.55 5.85 -0.88 -1.29 115.31 120.89 1nvu h LEU 133 Ca 0.25 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.77 1nvu h LEU 133 Cb 0.27 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 1nvu h LEU 133 CO -0.01 0.35 0.60 0.00 -0.34 0.00 0.00 178.44 179.03 1nvu h ALA 134 N 0.83 1.20 -0.64 1.25 0.00 -0.78 -2.19 119.26 118.92 1nvu h ALA 134 Ca 0.04 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1nvu h ALA 134 Cb 0.25 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1nvu h ALA 134 CO 0.00 0.48 0.14 -0.09 0.00 0.00 0.00 179.25 179.78 1nvu h ARG 135 N 1.17 1.04 0.00 0.00 2.43 -0.71 -0.04 114.38 118.27 1nvu h ARG 135 Ca 0.36 -0.26 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1nvu h ARG 135 Cb -0.03 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.39 1nvu h ARG 135 CO -0.11 0.95 -0.04 0.66 -1.51 0.00 0.00 179.97 179.92 1nvu h SER 136 N 0.96 0.00 0.50 -3.80 4.64 -0.64 -1.09 113.55 114.11 1nvu h SER 136 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1nvu h SER 136 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1nvu h SER 136 CO 0.01 0.04 -0.86 -1.22 -0.87 0.00 0.00 176.83 173.93 1nvu n TYR 137 N -3.95 0.26 -2.07 4.77 4.01 -0.78 -4.97 117.16 114.43 1nvu n TYR 137 Ca -0.03 0.08 -0.02 0.00 -0.16 0.00 0.00 57.90 57.77 1nvu n TYR 137 Cb 0.13 -0.42 -0.00 0.00 -0.31 0.00 0.00 39.34 38.73 1nvu n TYR 137 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1nvu n GLY 138 N 1.39 0.33 3.31 2.72 0.00 -0.13 -5.05 105.19 107.75 1nvu n GLY 138 Ca 0.03 -0.80 -0.16 0.00 0.00 0.00 0.00 46.02 45.09 1nvu n GLY 138 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1nvu s ILE 139 N -2.15 1.24 0.65 -0.61 -4.36 -0.60 -5.03 121.20 110.35 1nvu s ILE 139 Ca 0.00 -2.08 -0.13 0.00 -0.26 0.00 0.00 60.65 58.18 1nvu s ILE 139 Cb -0.00 -2.10 -0.01 0.00 1.25 0.00 0.00 42.46 41.60 1nvu s ILE 139 CO 0.00 -0.54 1.05 -2.84 0.24 0.00 0.00 174.94 172.86 1nvu s PRO 140 N -3.77 3.14 -0.07 0.37 0.02 -1.26 -4.23 135.00 129.20 1nvu s PRO 140 Ca 0.23 1.05 0.05 0.00 0.02 0.00 0.00 61.00 62.34 1nvu s PRO 140 Cb 0.03 -2.01 -0.01 0.00 0.02 0.00 0.00 34.50 32.53 1nvu s PRO 140 CO 0.05 -0.94 -0.24 -0.47 -0.33 0.00 0.00 177.00 175.08 1nvu s TYR 141 N -2.80 2.36 -0.03 6.54 5.04 -1.26 -1.36 117.35 125.84 1nvu s TYR 141 Ca 0.60 -0.78 0.01 0.00 -2.44 0.00 0.00 57.07 54.46 1nvu s TYR 141 Cb -0.14 -1.57 0.01 0.00 0.35 0.00 0.00 41.96 40.61 1nvu s TYR 141 CO 0.47 -0.27 -0.05 0.42 -1.34 0.00 0.00 175.55 174.78 1nvu s ILE 142 N 0.02 0.51 -0.10 3.14 1.01 -0.34 -4.98 121.20 120.45 1nvu s ILE 142 Ca -0.08 -0.18 -0.03 0.00 0.00 0.00 0.00 60.65 60.36 1nvu s ILE 142 Cb -0.15 -0.49 -0.03 0.00 0.01 0.00 0.00 42.46 41.80 1nvu s ILE 142 CO 0.05 0.19 0.00 -0.70 0.00 0.00 0.00 174.94 174.48 1nvu s GLU 143 N 0.47 3.17 0.26 2.79 2.12 -1.26 -1.25 118.70 125.00 1nvu s GLU 143 Ca -0.06 -0.42 0.03 0.00 0.36 0.00 0.00 54.97 54.88 1nvu s GLU 143 Cb -0.10 -2.85 -0.05 0.00 0.26 0.00 0.00 34.13 31.39 1nvu s GLU 143 CO -0.00 0.60 0.04 0.95 -0.54 0.00 0.00 175.26 176.31 1nvu s THR 144 N -0.60 0.94 -0.42 -1.70 -4.23 0.60 -4.55 115.64 105.68 1nvu s THR 144 Ca 0.10 -2.01 0.04 0.00 -1.18 0.00 0.00 61.69 58.64 1nvu s THR 144 Cb -0.12 -2.55 0.17 0.00 1.34 0.00 0.00 72.50 71.34 1nvu s THR 144 CO 0.02 -0.14 0.39 -0.55 -0.54 0.00 0.00 174.62 173.80 1nvu s SER 145 N -3.36 1.05 0.37 3.99 0.15 -0.53 -0.73 113.70 114.65 1nvu s SER 145 Ca 0.33 -2.82 0.17 0.00 0.70 0.00 0.00 55.95 54.33 1nvu s SER 145 Cb 0.07 -0.08 1.09 0.00 -1.71 0.00 0.00 66.02 65.39 1nvu s SER 145 CO 0.12 -0.16 1.72 0.00 1.20 0.00 0.00 173.24 176.11 1nvu h ALA 146 N 5.63 2.13 -0.20 5.45 0.00 -1.78 -0.11 119.26 130.38 1nvu h ALA 146 Ca 0.23 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.26 1nvu h ALA 146 Cb 0.94 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1nvu h ALA 146 CO 0.31 -0.63 0.13 -0.22 0.00 0.00 0.00 179.25 178.85 1nvu h LYS 147 N 0.39 0.23 -0.12 0.00 3.64 -1.92 -2.34 116.57 116.44 1nvu h LYS 147 Ca 0.67 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 60.04 1nvu h LYS 147 Cb 1.62 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.39 1nvu h LYS 147 CO -0.43 0.15 0.00 0.25 -2.27 0.00 0.00 179.45 177.16 1nvu n THR 148 N -4.51 0.29 -0.82 1.00 -2.24 -0.21 -4.98 114.28 102.81 1nvu n THR 148 Ca 0.00 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 1nvu n THR 148 Cb 0.10 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 1nvu n THR 148 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1nvu n ARG 149 N 0.65 -0.08 -2.19 -0.78 1.74 -0.28 -4.98 116.66 110.73 1nvu n ARG 149 Ca 0.09 0.02 -0.42 0.00 -0.77 0.00 0.00 57.85 56.77 1nvu n ARG 149 Cb 0.34 -3.36 -0.03 0.00 -1.02 0.00 0.00 32.46 28.39 1nvu n ARG 149 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1nvu s GLN 150 N -0.45 4.33 0.00 5.56 -0.21 -1.11 -3.20 119.66 124.59 1nvu s GLN 150 Ca 0.00 2.06 0.00 0.00 0.02 0.00 0.00 55.36 57.44 1nvu s GLN 150 Cb 0.00 -3.25 0.00 0.00 1.00 0.00 0.00 33.01 30.76 1nvu s GLN 150 CO 0.00 -0.41 0.00 0.41 -2.12 0.00 0.00 175.29 173.17 1nvu n GLY 151 N 3.34 2.28 0.24 3.09 0.00 -1.26 -1.45 105.19 111.43 1nvu n GLY 151 Ca 0.11 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.97 1nvu n GLY 151 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1nvu h VAL 152 N 0.00 0.59 -0.69 1.61 2.07 -1.87 -0.67 116.25 117.28 1nvu h VAL 152 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1nvu h VAL 152 Cb 0.00 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 1nvu h VAL 152 CO 0.00 0.00 0.44 -0.33 0.02 0.00 0.00 177.57 177.70 1nvu h GLU 153 N -0.55 0.84 -0.69 1.57 5.08 -1.91 -2.62 114.58 116.29 1nvu h GLU 153 Ca -0.05 -0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.32 1nvu h GLU 153 Cb 0.43 -0.19 -0.06 0.00 0.50 0.00 0.00 28.75 29.43 1nvu h GLU 153 CO 0.09 0.55 0.38 0.22 -1.00 0.00 0.00 179.01 179.25 1nvu h ASP 154 N 0.86 0.57 -0.14 1.42 3.58 -1.90 0.13 116.42 120.95 1nvu h ASP 154 Ca 0.27 0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.75 1nvu h ASP 154 Cb -0.00 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 1nvu h ASP 154 CO -0.10 0.36 0.07 0.00 -2.88 0.00 0.00 179.24 176.69 1nvu h ALA 155 N 1.36 0.18 -0.20 -0.78 0.00 -0.75 -0.52 119.26 118.54 1nvu h ALA 155 Ca 0.31 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 55.03 1nvu h ALA 155 Cb 0.21 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1nvu h ALA 155 CO -0.19 -0.27 -0.34 0.74 0.00 0.00 0.00 179.25 179.19 1nvu h PHE 156 N 0.10 0.73 -0.74 0.00 0.04 -1.32 -2.74 116.94 113.02 1nvu h PHE 156 Ca 0.05 -0.26 -0.06 0.00 2.80 0.00 0.00 57.97 60.51 1nvu h PHE 156 Cb 0.12 -0.14 -0.03 0.00 2.20 0.00 0.00 35.95 38.09 1nvu h PHE 156 CO -0.03 0.99 0.24 1.88 -0.60 0.00 0.00 178.31 180.79 1nvu h TYR 157 N 0.26 1.17 -0.72 -0.55 -1.99 -0.75 -1.14 116.97 113.25 1nvu h TYR 157 Ca 0.01 -0.11 -0.02 0.00 2.00 0.00 0.00 58.73 60.62 1nvu h TYR 157 Cb 0.93 -0.34 -0.03 0.00 2.00 0.00 0.00 36.73 39.29 1nvu h TYR 157 CO 0.09 0.92 0.38 1.15 -0.00 0.00 0.00 178.16 180.70 1nvu h THR 158 N 1.09 1.22 -0.46 -2.88 2.02 -1.10 -0.77 112.91 112.03 1nvu h THR 158 Ca 0.24 -0.56 -0.06 0.00 0.77 0.00 0.00 66.41 66.79 1nvu h THR 158 Cb 0.29 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 1nvu h THR 158 CO -0.01 0.25 0.03 0.25 0.37 0.00 0.00 175.52 176.41 1nvu h LEU 159 N 1.01 0.76 -0.94 2.58 5.85 -1.05 -1.62 115.31 121.89 1nvu h LEU 159 Ca 0.25 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1nvu h LEU 159 Cb 0.05 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 1nvu h LEU 159 CO -0.04 0.86 0.51 0.58 -0.34 0.00 0.00 178.44 180.02 1nvu h VAL 160 N 0.64 1.26 -0.70 1.05 2.07 -0.67 -1.22 116.25 118.67 1nvu h VAL 160 Ca 0.13 -0.61 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 1nvu h VAL 160 Cb 0.45 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 1nvu h VAL 160 CO 0.02 0.28 0.34 0.03 0.02 0.00 0.00 177.57 178.26 1nvu h ARG 161 N 1.27 0.99 -0.72 1.57 3.08 -0.83 0.06 114.38 119.80 1nvu h ARG 161 Ca 0.32 -0.13 -0.05 0.00 0.07 0.00 0.00 59.98 60.19 1nvu h ARG 161 Cb -0.00 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 29.83 1nvu h ARG 161 CO -0.05 0.76 0.26 0.93 -1.07 0.00 0.00 179.97 180.79 1nvu h GLU 162 N 0.99 1.08 -0.31 0.04 4.39 -0.40 -0.81 114.58 119.55 1nvu h GLU 162 Ca 0.24 -0.21 -0.08 0.00 0.34 0.00 0.00 59.36 59.65 1nvu h GLU 162 Cb 0.09 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 1nvu h GLU 162 CO -0.03 0.90 -0.13 0.82 -1.16 0.00 0.00 179.01 179.41 1nvu h ILE 163 N 1.05 1.29 -0.28 3.13 2.04 -0.30 -2.65 117.51 121.80 1nvu h ILE 163 Ca 0.24 -1.22 -0.04 0.00 1.00 0.00 0.00 64.86 64.84 1nvu h ILE 163 Cb 0.25 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 1nvu h ILE 163 CO -0.01 0.39 0.02 0.03 0.00 0.00 0.00 178.15 178.58 1nvu h ARG 164 N 0.41 0.41 -0.62 2.37 3.08 -0.74 -2.65 114.38 116.64 1nvu h ARG 164 Ca 0.07 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1nvu h ARG 164 Cb 0.65 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.63 1nvu h ARG 164 CO 0.04 0.43 0.00 1.04 -1.07 0.00 0.00 179.97 180.41 1nvu n GLN 165 N -4.33 3.08 0.00 0.04 6.02 -0.34 -5.10 117.38 116.76 1nvu n GLN 165 Ca 0.01 -2.14 0.15 0.00 -0.01 0.00 0.00 57.00 55.01 1nvu n GLN 165 Cb 0.20 -1.75 0.83 0.00 1.02 0.00 0.00 30.24 30.54 1nvu n GLN 165 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63