#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 3.99 -0.10 3.17 2.01 -1.25 -4.84 115.64 118.62 1nvu s THR 2 Ca 0.00 1.88 -0.05 0.00 0.31 0.00 0.00 61.69 63.83 1nvu s THR 2 Cb 0.00 -4.20 -0.04 0.00 0.01 0.00 0.00 72.50 68.27 1nvu s THR 2 CO 0.00 0.40 0.10 -0.70 -0.69 0.00 0.00 174.62 173.73 1nvu s GLU 3 N -0.88 3.30 -0.07 4.92 2.12 -1.26 -1.13 118.70 125.70 1nvu s GLU 3 Ca 0.44 -0.23 0.02 0.00 0.36 0.00 0.00 54.97 55.57 1nvu s GLU 3 Cb -0.27 -3.07 0.01 0.00 0.26 0.00 0.00 34.13 31.06 1nvu s GLU 3 CO 0.34 0.75 -0.13 0.71 -0.54 0.00 0.00 175.26 176.39 1nvu s TYR 4 N -1.01 1.52 -0.45 5.30 2.02 -0.06 -4.94 117.35 119.73 1nvu s TYR 4 Ca 0.15 -0.58 -0.15 0.00 -0.37 0.00 0.00 57.07 56.12 1nvu s TYR 4 Cb -0.12 -1.11 0.05 0.00 -0.40 0.00 0.00 41.96 40.38 1nvu s TYR 4 CO 0.04 -0.30 0.36 0.15 -1.57 0.00 0.00 175.55 174.24 1nvu s LYS 5 N 0.71 2.98 -0.06 -0.62 1.02 -1.26 -0.52 119.74 121.99 1nvu s LYS 5 Ca -0.14 -1.19 -0.02 0.00 0.02 0.00 0.00 55.97 54.65 1nvu s LYS 5 Cb -0.16 -4.06 -0.04 0.00 -0.52 0.00 0.00 37.83 33.05 1nvu s LYS 5 CO 0.03 -0.91 0.05 -0.51 -0.92 0.00 0.00 175.35 173.09 1nvu s LEU 6 N 1.69 3.80 -0.07 3.17 1.43 0.44 -0.63 118.68 128.51 1nvu s LEU 6 Ca 0.05 0.18 0.03 0.00 -1.03 0.00 0.00 54.13 53.36 1nvu s LEU 6 Cb -0.22 -2.01 0.01 0.00 0.03 0.00 0.00 46.19 44.00 1nvu s LEU 6 CO 0.08 0.34 -0.15 -0.69 0.23 0.00 0.00 176.35 176.16 1nvu s VAL 7 N -1.02 1.35 -0.24 -1.59 1.01 -0.28 -0.46 120.40 119.17 1nvu s VAL 7 Ca 0.17 -0.62 -0.07 0.00 0.00 0.00 0.00 61.98 61.46 1nvu s VAL 7 Cb -0.12 -1.20 -0.03 0.00 0.00 0.00 0.00 36.38 35.03 1nvu s VAL 7 CO 0.07 0.40 0.07 -0.69 0.00 0.00 0.00 175.10 174.95 1nvu s VAL 8 N 0.48 4.36 0.24 2.92 1.01 -0.29 -0.65 120.40 128.48 1nvu s VAL 8 Ca -0.13 -0.16 0.04 0.00 0.00 0.00 0.00 61.98 61.73 1nvu s VAL 8 Cb -0.15 -3.03 -0.05 0.00 0.00 0.00 0.00 36.38 33.14 1nvu s VAL 8 CO 0.04 0.35 -0.01 0.68 0.00 0.00 0.00 175.10 176.16 1nvu s VAL 9 N 1.47 1.17 0.00 2.92 -7.23 -0.25 -2.96 120.40 115.52 1nvu s VAL 9 Ca 0.06 -2.05 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 1nvu s VAL 9 Cb -0.15 -2.37 0.00 0.00 0.56 0.00 0.00 36.38 34.42 1nvu s VAL 9 CO 0.04 -0.32 0.00 0.61 -0.31 0.00 0.00 175.10 175.12 1nvu n GLY 10 N -0.46 3.11 3.66 2.32 0.00 -1.26 -0.92 105.19 111.64 1nvu n GLY 10 Ca -0.05 -1.52 -0.36 0.00 0.00 0.00 0.00 46.02 44.09 1nvu n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nvu n ALA 11 N -1.73 0.20 -1.77 4.61 0.00 -1.26 -3.86 120.51 116.70 1nvu n ALA 11 Ca 0.00 -0.16 -0.40 0.00 0.00 0.00 0.00 53.44 52.88 1nvu n ALA 11 Cb 0.00 -2.20 0.01 0.00 0.00 0.00 0.00 19.45 17.26 1nvu n ALA 11 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1nvu s GLY 12 N -1.65 2.93 0.00 0.00 0.00 -1.23 -2.90 107.32 104.47 1nvu s GLY 12 Ca 0.76 1.46 0.00 0.00 0.00 0.00 0.00 44.72 46.94 1nvu s GLY 12 CO 0.47 2.09 0.00 0.61 0.00 0.00 0.00 173.10 176.27 1nvu n GLY 13 N 0.57 0.90 0.19 0.20 0.00 -1.26 -4.93 105.19 100.85 1nvu n GLY 13 Ca 0.04 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.13 1nvu n GLY 13 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1nvu h VAL 14 N 0.00 0.45 0.00 1.61 -1.51 -1.90 -3.47 116.25 111.43 1nvu h VAL 14 Ca 0.00 -1.56 0.00 0.00 -1.23 0.00 0.00 66.70 63.91 1nvu h VAL 14 Cb 0.00 2.16 0.00 0.00 -2.13 0.00 0.00 31.29 31.32 1nvu h VAL 14 CO 0.00 0.25 0.00 0.61 -1.23 0.00 0.00 177.57 177.20 1nvu n GLY 15 N 1.04 1.85 0.15 5.19 0.00 -1.26 -4.56 105.19 107.60 1nvu n GLY 15 Ca 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 -0.05 -0.21 1.61 1.57 -1.91 -0.20 116.57 117.38 1nvu h LYS 16 Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1nvu h LYS 16 Cb 0.00 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1nvu h LYS 16 CO 0.00 -0.03 -0.03 0.77 -0.57 0.00 0.00 179.45 179.59 1nvu h SER 17 N -0.05 0.39 -0.93 0.86 0.02 -1.96 -2.37 113.55 109.51 1nvu h SER 17 Ca 0.13 -0.35 0.01 0.00 -0.84 0.00 0.00 61.79 60.75 1nvu h SER 17 Cb 0.25 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 62.63 1nvu h SER 17 CO -0.30 0.65 0.61 0.00 -1.14 0.00 0.00 176.83 176.66 1nvu h ALA 18 N 0.76 1.19 -0.31 3.77 0.00 -1.87 0.42 119.26 123.22 1nvu h ALA 18 Ca 0.06 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1nvu h ALA 18 Cb 0.46 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1nvu h ALA 18 CO 0.02 0.55 0.14 -0.07 0.00 0.00 0.00 179.25 179.89 1nvu h LEU 19 N 1.24 0.42 -0.41 0.00 3.38 -0.99 -0.67 115.31 118.28 1nvu h LEU 19 Ca 0.35 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 1nvu h LEU 19 Cb -0.11 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1nvu h LEU 19 CO -0.08 0.45 0.10 0.74 0.09 0.00 0.00 178.44 179.73 1nvu h THR 20 N 0.36 1.23 -0.12 0.22 2.02 -0.93 -1.87 112.91 113.81 1nvu h THR 20 Ca 0.11 -0.80 -0.11 0.00 0.77 0.00 0.00 66.41 66.37 1nvu h THR 20 Cb 0.15 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 1nvu h THR 20 CO -0.01 0.28 -0.43 0.40 0.37 0.00 0.00 175.52 176.13 1nvu h ILE 21 N 0.53 1.32 -0.55 3.11 2.04 -0.86 -0.23 117.51 122.87 1nvu h ILE 21 Ca 0.13 -1.57 -0.06 0.00 1.00 0.00 0.00 64.86 64.36 1nvu h ILE 21 Cb 0.32 1.70 -0.02 0.00 -0.74 0.00 0.00 36.82 38.07 1nvu h ILE 21 CO 0.00 0.47 0.12 -0.61 0.00 0.00 0.00 178.15 178.14 1nvu h GLN 22 N 0.24 0.89 -0.42 2.37 5.75 -0.96 0.20 115.11 123.17 1nvu h GLN 22 Ca 0.02 -0.22 -0.08 0.00 -0.15 0.00 0.00 58.65 58.22 1nvu h GLN 22 Cb 0.86 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.28 1nvu h GLN 22 CO 0.07 0.84 -0.06 1.25 -2.65 0.00 0.00 178.83 178.28 1nvu h LEU 23 N 0.78 0.78 -0.02 -2.39 5.85 -0.94 0.19 115.31 119.58 1nvu h LEU 23 Ca 0.17 -0.34 -0.11 0.00 0.84 0.00 0.00 57.88 58.44 1nvu h LEU 23 Cb 0.36 -0.21 0.01 0.00 0.37 0.00 0.00 40.66 41.19 1nvu h LEU 23 CO 0.00 0.94 -0.43 0.40 -0.34 0.00 0.00 178.44 179.02 1nvu h ILE 24 N 0.61 1.46 -0.00 4.05 1.08 -0.90 -3.39 117.51 120.41 1nvu h ILE 24 Ca 0.11 -1.95 0.00 0.00 -0.39 0.00 0.00 64.86 62.63 1nvu h ILE 24 Cb 0.58 2.58 0.00 0.00 -3.07 0.00 0.00 36.82 36.90 1nvu h ILE 24 CO 0.03 0.56 0.00 0.00 -0.69 0.00 0.00 178.15 178.05 1nvu n GLN 25 N -4.35 0.26 -3.24 2.37 6.02 0.68 -4.99 117.38 114.14 1nvu n GLN 25 Ca -0.10 -0.82 -0.23 0.00 -0.01 0.00 0.00 57.00 55.84 1nvu n GLN 25 Cb 0.58 -1.00 0.04 0.00 1.02 0.00 0.00 30.24 30.88 1nvu n GLN 25 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1nvu n ASN 26 N -0.15 -5.82 -4.09 1.08 4.13 0.06 -4.98 115.26 105.49 1nvu n ASN 26 Ca 0.00 -0.38 -0.23 0.00 1.68 0.00 0.00 54.58 55.64 1nvu n ASN 26 Cb 0.08 -4.68 -0.16 0.00 -1.54 0.00 0.00 39.78 33.48 1nvu n ASN 26 CO 0.00 0.00 0.00 -2.28 0.28 0.00 0.00 177.26 175.26 1nvu s HIS 27 N -3.19 1.37 -0.26 3.10 2.46 -1.24 -4.99 115.29 112.54 1nvu s HIS 27 Ca 0.40 -0.35 -0.12 0.00 0.47 0.00 0.00 55.06 55.46 1nvu s HIS 27 Cb -0.18 -0.93 -0.05 0.00 -0.13 0.00 0.00 32.58 31.29 1nvu s HIS 27 CO 0.49 -0.11 0.23 0.12 -2.47 0.00 0.00 174.74 173.00 1nvu s PHE 28 N 0.00 3.27 -0.40 3.88 5.99 -1.26 -3.15 117.98 126.31 1nvu s PHE 28 Ca -0.01 0.25 -0.25 0.00 0.00 0.00 0.00 56.93 56.91 1nvu s PHE 28 Cb -0.09 -2.39 0.02 0.00 0.00 0.00 0.00 43.02 40.56 1nvu s PHE 28 CO 0.01 -0.08 0.88 0.08 -0.00 0.00 0.00 175.22 176.11 1nvu s VAL 29 N 1.53 4.59 0.04 3.12 1.01 -1.26 -4.93 120.40 124.50 1nvu s VAL 29 Ca 0.10 0.92 0.06 0.00 0.00 0.00 0.00 61.98 63.06 1nvu s VAL 29 Cb -0.15 -4.34 -0.23 0.00 0.00 0.00 0.00 36.38 31.66 1nvu s VAL 29 CO 0.08 -0.62 0.99 -0.78 0.00 0.00 0.00 175.10 174.77 1nvu h ASP 30 N 8.70 0.10 -4.34 3.32 3.58 -2.01 -3.47 116.42 122.30 1nvu h ASP 30 Ca -0.24 -0.14 -0.51 0.00 0.42 0.00 0.00 57.03 56.56 1nvu h ASP 30 Cb 1.08 -0.03 0.06 0.00 1.72 0.00 0.00 39.33 42.16 1nvu h ASP 30 CO 0.98 1.12 0.41 -1.83 -2.88 0.00 0.00 179.24 177.03 1nvu s GLU 31 N -2.65 3.56 -0.37 0.28 1.03 -1.26 -5.04 118.70 114.23 1nvu s GLU 31 Ca -0.03 0.80 -0.04 0.00 0.03 0.00 0.00 54.97 55.72 1nvu s GLU 31 Cb 0.09 -2.07 0.08 0.00 -0.80 0.00 0.00 34.13 31.42 1nvu s GLU 31 CO 0.83 -0.60 0.15 -0.47 -1.33 0.00 0.00 175.26 173.84 1nvu s TYR 32 N -3.11 3.41 -0.35 4.83 5.04 -1.26 -5.05 117.35 120.86 1nvu s TYR 32 Ca 0.56 -1.95 -0.02 0.00 -2.44 0.00 0.00 57.07 53.21 1nvu s TYR 32 Cb -0.11 -2.76 0.08 0.00 0.35 0.00 0.00 41.96 39.51 1nvu s TYR 32 CO 0.52 -0.87 0.10 -0.51 -1.34 0.00 0.00 175.55 173.45 1nvu s ASP 33 N 1.70 5.06 0.27 4.32 -0.00 -1.26 -5.08 116.67 121.67 1nvu s ASP 33 Ca 0.02 -1.68 -0.29 0.00 -0.00 0.00 0.00 52.55 50.61 1nvu s ASP 33 Cb -0.22 -1.76 -0.14 0.00 -0.00 0.00 0.00 42.92 40.80 1nvu s ASP 33 CO -0.01 -0.40 1.00 -2.65 -0.00 0.00 0.00 175.17 173.11 1nvu n PRO 34 N 4.59 1.25 -3.60 8.23 -0.02 -1.26 -4.95 135.00 139.23 1nvu n PRO 34 Ca -0.07 0.44 -0.33 0.00 -2.02 0.00 0.00 63.50 61.52 1nvu n PRO 34 Cb 0.42 -1.80 -0.05 0.00 -0.02 0.00 0.00 33.50 32.05 1nvu n PRO 34 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1nvu s THR 35 N -0.94 5.11 -0.07 3.45 2.01 -1.26 -4.99 115.64 118.95 1nvu s THR 35 Ca 0.61 0.28 -0.08 0.00 0.31 0.00 0.00 61.69 62.81 1nvu s THR 35 Cb -0.73 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.12 1nvu s THR 35 CO 0.59 0.16 -0.16 -0.38 -0.69 0.00 0.00 174.62 174.13 1nvu n ILE 36 N 0.48 0.80 -3.32 1.82 5.41 -1.26 -3.85 119.36 119.44 1nvu n ILE 36 Ca -0.05 0.29 0.03 0.00 1.00 0.00 0.00 62.75 64.02 1nvu n ILE 36 Cb 0.52 -1.85 -0.03 0.00 -0.71 0.00 0.00 39.64 37.57 1nvu n ILE 36 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1nvu s GLU 37 N -1.96 0.33 0.09 0.38 -1.05 -1.26 -2.85 118.70 112.38 1nvu s GLU 37 Ca -0.13 0.73 0.07 0.00 -0.15 0.00 0.00 54.97 55.49 1nvu s GLU 37 Cb 0.02 0.43 -0.03 0.00 -0.44 0.00 0.00 34.13 34.11 1nvu s GLU 37 CO 0.19 -0.22 -0.17 -0.51 0.95 0.00 0.00 175.26 175.50 1nvu s ASP 38 N 2.69 2.10 0.04 0.83 1.01 -0.64 -5.02 116.67 117.67 1nvu s ASP 38 Ca 0.01 -0.66 0.06 0.00 0.71 0.00 0.00 52.55 52.67 1nvu s ASP 38 Cb -0.09 -0.09 -0.02 0.00 1.01 0.00 0.00 42.92 43.72 1nvu s ASP 38 CO -0.16 -0.02 -0.18 -0.55 0.21 0.00 0.00 175.17 174.46 1nvu s SER 39 N -1.87 2.20 0.07 0.27 0.15 -1.26 -0.53 113.70 112.73 1nvu s SER 39 Ca 0.03 -0.49 0.01 0.00 0.70 0.00 0.00 55.95 56.20 1nvu s SER 39 Cb -0.10 -0.17 -0.04 0.00 -1.71 0.00 0.00 66.02 64.00 1nvu s SER 39 CO 0.03 0.12 -0.06 -0.31 1.20 0.00 0.00 173.24 174.23 1nvu s TYR 40 N -0.79 0.74 -0.02 3.44 1.51 -0.30 -4.98 117.35 116.94 1nvu s TYR 40 Ca 0.06 -0.86 0.04 0.00 -1.01 0.00 0.00 57.07 55.29 1nvu s TYR 40 Cb -0.08 -0.45 -0.01 0.00 -0.11 0.00 0.00 41.96 41.31 1nvu s TYR 40 CO 0.01 -0.19 -0.14 0.50 -1.11 0.00 0.00 175.55 174.62 1nvu s ARG 41 N -3.37 1.21 -0.15 -0.62 6.06 -1.26 -0.60 118.95 120.23 1nvu s ARG 41 Ca 0.06 -0.49 -0.05 0.00 -2.50 0.00 0.00 55.73 52.75 1nvu s ARG 41 Cb 0.03 -1.14 0.07 0.00 0.06 0.00 0.00 34.95 33.97 1nvu s ARG 41 CO -0.05 0.26 0.27 0.21 -2.50 0.00 0.00 175.30 173.50 1nvu s LYS 42 N -0.19 0.17 -0.14 5.12 2.20 -0.05 -4.98 119.74 121.87 1nvu s LYS 42 Ca 0.03 0.69 -0.21 0.00 -0.36 0.00 0.00 55.97 56.12 1nvu s LYS 42 Cb -0.07 -0.18 -0.03 0.00 -1.51 0.00 0.00 37.83 36.04 1nvu s LYS 42 CO -0.00 -0.35 0.60 -1.14 -0.36 0.00 0.00 175.35 174.11 1nvu s GLN 43 N 2.42 4.31 -0.09 4.03 0.74 -1.26 -0.35 119.66 129.46 1nvu s GLN 43 Ca 0.02 0.63 -0.19 0.00 0.05 0.00 0.00 55.36 55.87 1nvu s GLN 43 Cb -0.13 -3.50 0.04 0.00 1.10 0.00 0.00 33.01 30.52 1nvu s GLN 43 CO -0.09 -0.05 0.47 0.54 -0.55 0.00 0.00 175.29 175.61 1nvu s VAL 44 N 1.25 0.02 -0.27 1.34 0.11 -0.25 -4.99 120.40 117.61 1nvu s VAL 44 Ca 0.30 -0.17 -0.18 0.00 -2.93 0.00 0.00 61.98 58.99 1nvu s VAL 44 Cb -0.16 -0.73 -0.02 0.00 -1.53 0.00 0.00 36.38 33.93 1nvu s VAL 44 CO 0.12 -0.09 0.54 -0.69 -3.33 0.00 0.00 175.10 171.65 1nvu s VAL 45 N -0.65 5.04 -0.12 2.04 1.01 -1.26 -0.26 120.40 126.20 1nvu s VAL 45 Ca -0.07 0.88 0.03 0.00 0.00 0.00 0.00 61.98 62.81 1nvu s VAL 45 Cb -0.03 -3.87 0.01 0.00 0.00 0.00 0.00 36.38 32.49 1nvu s VAL 45 CO 0.04 0.04 -0.20 -0.63 0.00 0.00 0.00 175.10 174.35 1nvu s ILE 46 N 2.37 1.82 -1.41 2.22 1.01 0.90 -4.71 121.20 123.41 1nvu s ILE 46 Ca 0.22 -0.85 -0.04 0.00 0.00 0.00 0.00 60.65 59.98 1nvu s ILE 46 Cb -0.16 -1.62 0.03 0.00 0.01 0.00 0.00 42.46 40.72 1nvu s ILE 46 CO 0.09 0.51 0.66 0.47 0.00 0.00 0.00 174.94 176.67 1nvu n ASP 47 N 3.99 -1.64 -0.14 3.58 8.00 -1.26 -0.99 116.55 128.10 1nvu n ASP 47 Ca -0.20 -0.89 -0.02 0.00 0.71 0.00 0.00 54.79 54.40 1nvu n ASP 47 Cb 0.52 -3.60 -0.01 0.00 -0.02 0.00 0.00 41.12 38.01 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 -1.72 0.37 3.16 0.44 0.00 -1.26 -4.99 105.19 101.19 1nvu n GLY 48 Ca -0.22 -0.07 -0.29 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 -1.46 2.49 -0.11 1.61 2.12 -0.16 -5.10 118.70 118.09 1nvu s GLU 49 Ca 0.00 -0.73 -0.30 0.00 0.36 0.00 0.00 54.97 54.30 1nvu s GLU 49 Cb 0.00 -1.96 -0.02 0.00 0.26 0.00 0.00 34.13 32.41 1nvu s GLU 49 CO 0.00 0.17 1.15 0.99 -0.54 0.00 0.00 175.26 177.03 1nvu s THR 50 N 0.33 4.44 0.18 -1.70 2.01 -1.26 -0.07 115.64 119.57 1nvu s THR 50 Ca -0.14 1.74 0.11 0.00 0.31 0.00 0.00 61.69 63.71 1nvu s THR 50 Cb -0.16 -4.12 -0.04 0.00 0.01 0.00 0.00 72.50 68.18 1nvu s THR 50 CO 0.06 -0.05 -0.24 0.00 -0.69 0.00 0.00 174.62 173.70 1nvu s LEU 52 N -2.60 3.60 -0.16 0.00 2.96 -0.28 -1.10 118.68 121.11 1nvu s LEU 52 Ca 0.20 -1.37 -0.17 0.00 -0.22 0.00 0.00 54.13 52.57 1nvu s LEU 52 Cb -0.08 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 44.97 1nvu s LEU 52 CO 0.09 -0.21 0.42 -0.76 -1.32 0.00 0.00 176.35 174.57 1nvu s LEU 53 N 1.14 4.21 -0.27 -0.68 1.02 0.53 -0.88 118.68 123.76 1nvu s LEU 53 Ca -0.08 0.64 -0.06 0.00 0.02 0.00 0.00 54.13 54.65 1nvu s LEU 53 Cb -0.20 -2.58 -0.00 0.00 0.02 0.00 0.00 46.19 43.43 1nvu s LEU 53 CO -0.04 -0.03 0.05 -1.81 0.02 0.00 0.00 176.35 174.54 1nvu s ASP 54 N 0.81 4.97 -0.23 2.29 1.01 0.32 -0.87 116.67 124.97 1nvu s ASP 54 Ca 0.22 -0.57 -0.03 0.00 0.71 0.00 0.00 52.55 52.88 1nvu s ASP 54 Cb -0.15 -1.86 0.00 0.00 1.01 0.00 0.00 42.92 41.93 1nvu s ASP 54 CO 0.08 -0.13 -0.06 -0.63 0.21 0.00 0.00 175.17 174.64 1nvu s ILE 55 N 1.51 3.14 -0.33 0.77 1.01 0.24 -0.42 121.20 127.11 1nvu s ILE 55 Ca 0.04 -0.66 -0.13 0.00 0.00 0.00 0.00 60.65 59.89 1nvu s ILE 55 Cb -0.16 -2.46 -0.02 0.00 0.01 0.00 0.00 42.46 39.82 1nvu s ILE 55 CO 0.01 0.37 0.25 -0.22 0.00 0.00 0.00 174.94 175.36 1nvu s LEU 56 N 1.43 4.45 -0.36 2.97 2.96 0.40 -1.15 118.68 129.38 1nvu s LEU 56 Ca 0.04 -0.35 -0.15 0.00 -0.22 0.00 0.00 54.13 53.46 1nvu s LEU 56 Cb -0.15 -2.16 -0.01 0.00 0.50 0.00 0.00 46.19 44.38 1nvu s LEU 56 CO -0.04 -0.22 0.35 -0.62 -1.32 0.00 0.00 176.35 174.49 1nvu s ASP 57 N 1.73 6.16 0.35 3.68 2.15 0.32 -1.14 116.67 129.91 1nvu s ASP 57 Ca 0.07 -0.37 0.04 0.00 0.43 0.00 0.00 52.55 52.72 1nvu s ASP 57 Cb -0.17 -2.19 -0.01 0.00 -0.30 0.00 0.00 42.92 40.25 1nvu s ASP 57 CO 0.11 -0.36 0.51 0.42 -0.17 0.00 0.00 175.17 175.67 1nvu s THR 58 N 1.96 4.27 0.12 1.71 -4.23 -1.16 -1.63 115.64 116.70 1nvu s THR 58 Ca 0.10 -0.84 -0.22 0.00 -1.18 0.00 0.00 61.69 59.56 1nvu s THR 58 Cb -0.17 -3.51 -0.07 0.00 1.34 0.00 0.00 72.50 70.08 1nvu s THR 58 CO 0.12 -0.25 0.66 -0.83 -0.54 0.00 0.00 174.62 173.78 1nvu s GLY 59 N -4.15 2.78 0.29 3.99 0.00 -1.13 -4.83 107.32 104.26 1nvu s GLY 59 Ca 0.44 0.18 0.08 0.00 0.00 0.00 0.00 44.72 45.41 1nvu s GLY 59 CO 0.33 0.63 0.20 -0.32 0.00 0.00 0.00 173.10 173.94 1nvu s GLY 60 N -1.16 1.59 0.00 0.20 0.00 -1.26 -4.65 107.32 102.05 1nvu s GLY 60 Ca 0.33 -1.55 0.00 0.00 0.00 0.00 0.00 44.72 43.49 1nvu s GLY 60 CO 0.22 -1.55 0.00 0.61 0.00 0.00 0.00 173.10 172.38 1nvu n GLN 61 N -1.21 -0.85 0.00 2.90 10.64 -1.25 -3.48 117.38 124.13 1nvu n GLN 61 Ca -0.05 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.12 1nvu n GLN 61 Cb 0.59 -2.11 0.00 0.00 -0.86 0.00 0.00 30.24 27.86 1nvu n GLN 61 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1nvu n GLU 62 N -0.38 0.75 -2.07 2.61 4.71 -1.26 -4.79 120.64 120.21 1nvu n GLU 62 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.16 57.00 1nvu n GLU 62 Cb 0.00 -1.36 -0.03 0.00 -1.01 0.00 0.00 31.44 29.04 1nvu n GLU 62 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1nvu n GLU 63 N 0.11 -1.77 -2.74 3.49 1.02 -1.26 -4.87 120.64 114.61 1nvu n GLU 63 Ca 0.00 0.81 -0.38 0.00 -0.02 0.00 0.00 57.16 57.58 1nvu n GLU 63 Cb 0.18 -5.31 0.00 0.00 -0.02 0.00 0.00 31.44 26.30 1nvu n GLU 63 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1nvu n TYR 64 N -3.03 3.07 -0.30 -0.32 4.01 -1.26 -4.80 117.16 114.52 1nvu n TYR 64 Ca -0.17 -2.93 0.18 0.00 -0.16 0.00 0.00 57.90 54.82 1nvu n TYR 64 Cb 0.59 -1.02 0.45 0.00 -0.31 0.00 0.00 39.34 39.05 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 3.96 0.53 0.35 7.72 4.64 -2.00 -2.27 113.55 126.48 1nvu h SER 65 Ca 0.42 0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.81 1nvu h SER 65 Cb 0.38 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.42 1nvu h SER 65 CO 1.10 0.17 -0.42 0.00 -0.87 0.00 0.00 176.83 176.81 1nvu h ALA 66 N 1.62 -0.88 -0.42 5.18 0.00 -2.02 -3.12 119.26 119.62 1nvu h ALA 66 Ca 0.54 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.27 1nvu h ALA 66 Cb 1.20 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 19.60 1nvu h ALA 66 CO -0.28 -1.04 0.06 0.52 0.00 0.00 0.00 179.25 178.51 1nvu h MET 67 N -0.81 0.70 -0.71 0.00 2.86 -1.84 -3.26 114.93 111.87 1nvu h MET 67 Ca -0.02 -0.19 0.13 0.00 -2.06 0.00 0.00 59.70 57.55 1nvu h MET 67 Cb 0.74 -0.08 -0.13 0.00 0.06 0.00 0.00 31.60 32.19 1nvu h MET 67 CO -0.11 0.75 -0.27 0.00 1.06 0.00 0.00 176.91 178.34 1nvu h ARG 68 N 0.56 -0.06 -1.04 1.72 3.08 -1.40 0.71 114.38 117.94 1nvu h ARG 68 Ca 0.13 0.00 0.27 0.00 0.07 0.00 0.00 59.98 60.45 1nvu h ARG 68 Cb 0.39 0.01 -0.10 0.00 0.08 0.00 0.00 29.97 30.35 1nvu h ARG 68 CO 0.01 -0.04 0.65 -0.44 -1.07 0.00 0.00 179.97 179.08 1nvu h ASP 69 N -0.07 0.50 -0.83 7.04 5.19 -1.59 0.16 116.42 126.83 1nvu h ASP 69 Ca 0.31 0.10 0.03 0.00 -0.62 0.00 0.00 57.03 56.84 1nvu h ASP 69 Cb 0.56 0.02 -0.05 0.00 0.18 0.00 0.00 39.33 40.04 1nvu h ASP 69 CO -0.76 0.08 0.54 1.56 -3.12 0.00 0.00 179.24 177.55 1nvu h GLN 70 N 0.44 1.02 -0.31 3.56 4.20 0.32 -2.77 115.11 121.57 1nvu h GLN 70 Ca 0.62 -0.06 -0.17 0.00 0.06 0.00 0.00 58.65 59.09 1nvu h GLN 70 Cb 1.46 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 29.01 1nvu h GLN 70 CO -0.35 0.68 -0.48 1.88 -0.67 0.00 0.00 178.83 179.89 1nvu h TYR 71 N 1.05 1.04 0.00 2.96 0.05 -0.59 -3.27 116.97 118.22 1nvu h TYR 71 Ca 0.32 -0.35 -0.01 0.00 0.05 0.00 0.00 58.73 58.74 1nvu h TYR 71 Cb -0.02 -0.21 -0.00 0.00 1.01 0.00 0.00 36.73 37.51 1nvu h TYR 71 CO -0.00 1.16 -0.06 0.52 -1.05 0.00 0.00 178.16 178.73 1nvu h MET 72 N 0.67 0.00 -0.35 4.88 2.86 -1.29 -3.24 114.93 118.46 1nvu h MET 72 Ca 0.03 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.65 1nvu h MET 72 Cb 1.07 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.72 1nvu h MET 72 CO 0.11 0.06 0.13 0.00 1.06 0.00 0.00 176.91 178.26 1nvu h ARG 73 N 0.00 0.53 -0.03 1.72 3.08 -1.57 -3.29 114.38 114.82 1nvu h ARG 73 Ca -0.00 -0.10 -0.25 0.00 0.07 0.00 0.00 59.98 59.69 1nvu h ARG 73 Cb 0.52 -0.08 0.02 0.00 0.08 0.00 0.00 29.97 30.51 1nvu h ARG 73 CO 0.01 0.54 -0.97 1.79 -1.07 0.00 0.00 179.97 180.26 1nvu h THR 74 N 0.41 1.29 -3.14 2.04 1.35 -1.75 -3.48 112.91 109.63 1nvu h THR 74 Ca 0.11 -2.18 -0.58 0.00 -0.55 0.00 0.00 66.41 63.21 1nvu h THR 74 Cb 0.22 2.33 0.14 0.00 -1.73 0.00 0.00 68.15 69.11 1nvu h THR 74 CO -0.01 0.68 0.07 0.61 -0.25 0.00 0.00 175.52 176.62 1nvu n GLY 75 N 1.02 -0.43 0.05 5.82 0.00 -1.23 -4.94 105.19 105.48 1nvu n GLY 75 Ca -0.10 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1nvu n GLY 75 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1nvu n GLU 76 N -0.13 0.76 -3.79 1.61 1.02 0.20 -5.00 120.64 115.32 1nvu n GLU 76 Ca 0.11 -0.09 -0.12 0.00 -0.02 0.00 0.00 57.16 57.03 1nvu n GLU 76 Cb 0.42 -1.49 -0.09 0.00 -0.02 0.00 0.00 31.44 30.27 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 -4.87 -0.10 -0.03 0.62 0.00 -1.06 -4.19 107.32 97.70 1nvu s GLY 77 Ca -0.08 0.13 0.05 0.00 0.00 0.00 0.00 44.72 44.82 1nvu s GLY 77 CO 0.81 -0.06 -0.18 -1.36 0.00 0.00 0.00 173.10 172.31 1nvu s PHE 78 N -1.69 1.65 -0.32 1.90 0.40 -0.52 -1.13 117.98 118.28 1nvu s PHE 78 Ca -0.11 -0.39 -0.10 0.00 -0.60 0.00 0.00 56.93 55.72 1nvu s PHE 78 Cb -0.04 -1.09 -0.01 0.00 0.51 0.00 0.00 43.02 42.39 1nvu s PHE 78 CO 0.02 -0.09 0.17 -1.17 0.70 0.00 0.00 175.22 174.85 1nvu s LEU 79 N -0.20 4.20 -0.42 -0.37 2.96 0.18 -1.53 118.68 123.49 1nvu s LEU 79 Ca 0.02 -0.49 -0.14 0.00 -0.22 0.00 0.00 54.13 53.30 1nvu s LEU 79 Cb -0.09 -2.04 0.04 0.00 0.50 0.00 0.00 46.19 44.60 1nvu s LEU 79 CO 0.01 -0.20 0.31 0.00 -1.32 0.00 0.00 176.35 175.15 1nvu s VAL 81 N 1.63 4.78 0.11 0.00 1.01 -0.10 -0.66 120.40 127.17 1nvu s VAL 81 Ca 0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 61.98 61.93 1nvu s VAL 81 Cb -0.21 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 1nvu s VAL 81 CO 0.08 0.60 0.03 0.72 0.00 0.00 0.00 175.10 176.53 1nvu s PHE 82 N -0.95 0.78 -0.15 5.22 -0.12 -0.44 -4.07 117.98 118.26 1nvu s PHE 82 Ca 0.14 -1.19 -0.05 0.00 -0.05 0.00 0.00 56.93 55.78 1nvu s PHE 82 Cb -0.12 -0.46 -0.04 0.00 -0.63 0.00 0.00 43.02 41.78 1nvu s PHE 82 CO 0.03 -0.47 0.03 0.00 -0.05 0.00 0.00 175.22 174.77 1nvu s ALA 83 N -4.00 3.34 -1.79 1.99 0.00 -1.26 -0.09 121.76 119.95 1nvu s ALA 83 Ca 0.20 -0.76 0.10 0.00 0.00 0.00 0.00 51.96 51.49 1nvu s ALA 83 Cb 0.08 -1.75 0.57 0.00 0.00 0.00 0.00 23.12 22.02 1nvu s ALA 83 CO -0.01 0.32 1.11 0.44 0.00 0.00 0.00 175.76 177.62 1nvu n ILE 84 N 3.07 0.29 -1.16 0.00 -5.35 -0.40 -1.63 119.36 114.18 1nvu n ILE 84 Ca -0.17 0.07 0.07 0.00 -0.27 0.00 0.00 62.75 62.45 1nvu n ILE 84 Cb 0.53 -0.91 0.19 0.00 -1.74 0.00 0.00 39.64 37.71 1nvu n ILE 84 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1nvu n ASN 85 N -1.11 2.77 -3.42 7.28 6.94 -1.26 0.09 115.26 126.55 1nvu n ASN 85 Ca 0.07 -3.26 -0.21 0.00 -0.02 0.00 0.00 54.58 51.15 1nvu n ASN 85 Cb 0.05 -0.51 -0.10 0.00 -2.36 0.00 0.00 39.78 36.86 1nvu n ASN 85 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1nvu s ASN 86 N -2.58 1.99 0.30 0.53 3.84 -0.65 -4.72 114.94 113.64 1nvu s ASN 86 Ca 0.38 -1.43 0.02 0.00 0.21 0.00 0.00 52.86 52.03 1nvu s ASN 86 Cb 0.33 0.23 0.57 0.00 -0.55 0.00 0.00 41.25 41.83 1nvu s ASN 86 CO 0.03 -0.33 1.87 0.74 -2.79 0.00 0.00 177.10 176.62 1nvu h THR 87 N 5.57 0.97 -0.84 -5.21 2.02 -1.88 -1.96 112.91 111.59 1nvu h THR 87 Ca -0.03 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 1nvu h THR 87 Cb 1.04 -0.10 -0.04 0.00 -1.74 0.00 0.00 68.15 67.31 1nvu h THR 87 CO 0.28 0.18 0.49 0.50 0.37 0.00 0.00 175.52 177.34 1nvu h LYS 88 N 0.99 1.15 -0.13 6.66 3.11 -1.95 -0.31 116.57 126.08 1nvu h LYS 88 Ca 0.45 -0.11 -0.09 0.00 -2.81 0.00 0.00 60.65 58.09 1nvu h LYS 88 Cb 0.40 -0.24 -0.01 0.00 -1.00 0.00 0.00 32.23 31.38 1nvu h LYS 88 CO -0.21 0.81 -0.34 0.66 -2.81 0.00 0.00 179.45 177.56 1nvu h SER 89 N 1.16 0.26 -0.29 4.20 4.64 -1.70 -1.24 113.55 120.59 1nvu h SER 89 Ca 0.30 -0.10 -0.08 0.00 -0.47 0.00 0.00 61.79 61.44 1nvu h SER 89 Cb -0.03 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 1nvu h SER 89 CO -0.05 0.59 -0.14 0.15 -0.87 0.00 0.00 176.83 176.51 1nvu h PHE 90 N 0.23 0.69 0.00 4.77 3.57 -1.15 -2.76 116.94 122.28 1nvu h PHE 90 Ca 0.03 -0.17 -0.02 0.00 3.53 0.00 0.00 57.97 61.34 1nvu h PHE 90 Cb 0.71 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.29 1nvu h PHE 90 CO 0.01 0.84 -0.07 0.93 -2.23 0.00 0.00 178.31 177.79 1nvu h GLU 91 N 0.35 0.00 0.00 1.11 5.08 -0.73 -2.05 114.58 118.34 1nvu h GLU 91 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1nvu h GLU 91 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1nvu h GLU 91 CO 0.04 0.07 0.00 -0.44 -1.00 0.00 0.00 179.01 177.68 1nvu h ASP 92 N 0.00 0.00 -0.48 1.42 3.32 -0.94 -3.36 116.42 116.37 1nvu h ASP 92 Ca -0.00 0.00 0.10 0.00 0.02 0.00 0.00 57.03 57.15 1nvu h ASP 92 Cb 0.28 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.74 1nvu h ASP 92 CO 0.01 0.00 -0.12 0.40 -1.72 0.00 0.00 179.24 177.81 1nvu h ILE 93 N 0.00 0.52 -0.44 0.35 1.08 -1.29 -1.45 117.51 116.27 1nvu h ILE 93 Ca 0.00 -0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.54 1nvu h ILE 93 Cb 0.88 0.52 -0.02 0.00 -3.07 0.00 0.00 36.82 35.12 1nvu h ILE 93 CO 0.00 0.00 0.30 1.12 -0.69 0.00 0.00 178.15 178.88 1nvu h HIS 94 N 0.00 0.31 -0.68 1.37 2.07 -1.77 -0.12 115.15 116.33 1nvu h HIS 94 Ca 0.23 0.01 -0.03 0.00 -2.85 0.00 0.00 60.37 57.73 1nvu h HIS 94 Cb 0.35 -0.10 -0.03 0.00 2.57 0.00 0.00 27.41 30.20 1nvu h HIS 94 CO -0.41 0.16 0.31 1.96 -3.07 0.00 0.00 177.93 176.88 1nvu h GLN 95 N 0.31 0.99 -0.32 5.12 4.20 -1.52 0.43 115.11 124.32 1nvu h GLN 95 Ca 0.20 -0.16 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 1nvu h GLN 95 Cb 0.39 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 1nvu h GLN 95 CO -0.04 0.80 0.01 1.88 -0.67 0.00 0.00 178.83 180.80 1nvu h TYR 96 N 0.95 0.60 -0.52 2.96 0.05 -0.91 -0.87 116.97 119.23 1nvu h TYR 96 Ca 0.23 -0.10 -0.00 0.00 0.05 0.00 0.00 58.73 58.91 1nvu h TYR 96 Cb 0.15 -0.16 -0.03 0.00 1.01 0.00 0.00 36.73 37.70 1nvu h TYR 96 CO 0.01 0.67 0.32 -0.09 -1.05 0.00 0.00 178.16 178.02 1nvu h ARG 97 N 0.36 0.70 -0.50 4.88 1.12 -0.99 0.17 114.38 120.13 1nvu h ARG 97 Ca 0.09 -0.06 -0.01 0.00 -1.11 0.00 0.00 59.98 58.90 1nvu h ARG 97 Cb 0.43 -0.15 -0.02 0.00 -0.01 0.00 0.00 29.97 30.21 1nvu h ARG 97 CO 0.01 0.50 0.29 0.93 -3.11 0.00 0.00 179.97 178.60 1nvu h GLU 98 N 0.70 0.68 -0.38 0.20 5.08 -0.83 0.01 114.58 120.04 1nvu h GLU 98 Ca 0.19 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1nvu h GLU 98 Cb -0.02 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 1nvu h GLU 98 CO -0.04 0.51 0.21 0.37 -1.00 0.00 0.00 179.01 179.06 1nvu h GLN 99 N 0.66 0.53 -0.41 2.33 4.15 -0.62 0.62 115.11 122.36 1nvu h GLN 99 Ca 0.18 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.53 1nvu h GLN 99 Cb 0.01 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.58 1nvu h GLN 99 CO -0.03 0.43 0.24 0.82 -1.93 0.00 0.00 178.83 178.36 1nvu h ILE 100 N 0.48 1.14 -0.97 2.39 2.04 -0.76 0.26 117.51 122.10 1nvu h ILE 100 Ca 0.13 -0.35 0.01 0.00 1.00 0.00 0.00 64.86 65.65 1nvu h ILE 100 Cb 0.06 0.62 -0.05 0.00 -0.74 0.00 0.00 36.82 36.71 1nvu h ILE 100 CO -0.02 0.15 0.63 0.50 0.00 0.00 0.00 178.15 179.41 1nvu h LYS 101 N 0.54 1.29 0.24 2.37 3.64 -0.72 -1.35 116.57 122.58 1nvu h LYS 101 Ca 0.15 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1nvu h LYS 101 Cb 0.03 -0.29 0.00 0.00 -0.41 0.00 0.00 32.23 31.56 1nvu h LYS 101 CO -0.03 0.86 -0.12 -0.09 -2.27 0.00 0.00 179.45 177.81 1nvu h ARG 102 N 1.32 -0.32 -0.61 1.90 2.43 -0.23 0.56 114.38 119.43 1nvu h ARG 102 Ca 0.35 0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.65 1nvu h ARG 102 Cb -0.13 0.07 -0.12 0.00 -0.42 0.00 0.00 29.97 29.37 1nvu h ARG 102 CO -0.07 -0.21 -0.32 0.28 -1.51 0.00 0.00 179.97 178.13 1nvu h VAL 103 N -0.41 0.18 -0.01 0.20 2.07 -0.46 0.11 116.25 117.93 1nvu h VAL 103 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1nvu h VAL 103 Cb 0.25 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 1nvu h VAL 103 CO 0.06 0.00 -0.06 0.29 0.02 0.00 0.00 177.57 177.88 1nvu n LYS 104 N -5.44 1.01 -3.84 1.57 5.02 -0.52 -4.95 118.16 111.01 1nvu n LYS 104 Ca 0.05 -0.36 -0.35 0.00 -2.02 0.00 0.00 58.31 55.62 1nvu n LYS 104 Cb 0.36 -1.49 0.02 0.00 -0.02 0.00 0.00 35.03 33.90 1nvu n LYS 104 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1nvu n ASP 105 N -0.68 -4.86 -3.61 4.39 2.03 0.39 -4.98 116.55 109.23 1nvu n ASP 105 Ca 0.18 -1.09 -0.16 0.00 0.52 0.00 0.00 54.79 54.24 1nvu n ASP 105 Cb 0.26 -2.41 -0.07 0.00 -0.72 0.00 0.00 41.12 38.17 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 -3.38 -0.53 0.00 1.67 0.15 -0.92 -5.04 113.70 105.65 1nvu s SER 106 Ca 0.37 0.65 0.24 0.00 0.70 0.00 0.00 55.95 57.91 1nvu s SER 106 Cb -0.18 0.62 0.17 0.00 -1.71 0.00 0.00 66.02 64.92 1nvu s SER 106 CO 0.91 -0.49 1.21 -0.67 1.20 0.00 0.00 173.24 175.41 1nvu n ASP 107 N 1.38 2.23 -2.60 5.45 2.03 -1.26 -4.46 116.55 119.32 1nvu n ASP 107 Ca -0.19 -1.62 -0.15 0.00 0.52 0.00 0.00 54.79 53.36 1nvu n ASP 107 Cb 0.56 0.28 0.02 0.00 -0.72 0.00 0.00 41.12 41.26 1nvu n ASP 107 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1nvu n ASP 108 N 0.37 2.57 -4.74 1.67 5.75 -1.26 -5.07 116.55 115.84 1nvu n ASP 108 Ca 0.11 -3.03 -0.41 0.00 -0.01 0.00 0.00 54.79 51.46 1nvu n ASP 108 Cb 0.50 -0.50 -0.04 0.00 -1.03 0.00 0.00 41.12 40.05 1nvu n ASP 108 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1nvu s VAL 109 N -3.96 3.55 0.11 2.12 1.01 -1.26 -4.94 120.40 117.04 1nvu s VAL 109 Ca 0.34 1.34 -0.32 0.00 0.00 0.00 0.00 61.98 63.34 1nvu s VAL 109 Cb 0.43 -3.86 -0.11 0.00 0.00 0.00 0.00 36.38 32.84 1nvu s VAL 109 CO -0.04 0.23 1.79 -2.65 0.00 0.00 0.00 175.10 174.44 1nvu n PRO 110 N 2.30 2.62 -3.59 2.72 -0.02 -1.26 -4.93 135.00 132.84 1nvu n PRO 110 Ca 0.03 0.95 -0.10 0.00 -2.02 0.00 0.00 63.50 62.36 1nvu n PRO 110 Cb 0.45 -2.82 -0.02 0.00 -0.02 0.00 0.00 33.50 31.09 1nvu n PRO 110 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nvu s MET 111 N 2.46 1.40 -0.03 -0.52 0.23 -1.26 -1.43 119.30 120.15 1nvu s MET 111 Ca 0.82 -0.68 0.02 0.00 -1.03 0.00 0.00 55.69 54.83 1nvu s MET 111 Cb -0.54 0.57 0.01 0.00 -1.53 0.00 0.00 34.83 33.34 1nvu s MET 111 CO 0.39 -0.61 -0.07 0.08 -2.03 0.00 0.00 175.02 172.77 1nvu s VAL 112 N -3.81 0.66 -0.16 5.16 1.01 -0.58 -4.39 120.40 118.28 1nvu s VAL 112 Ca 0.05 -0.28 -0.20 0.00 0.00 0.00 0.00 61.98 61.55 1nvu s VAL 112 Cb -0.02 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.73 1nvu s VAL 112 CO -0.07 0.22 0.56 -0.22 0.00 0.00 0.00 175.10 175.59 1nvu s LEU 113 N 0.29 4.20 -0.16 3.92 2.96 -0.42 -1.05 118.68 128.41 1nvu s LEU 113 Ca -0.04 0.82 0.01 0.00 -0.22 0.00 0.00 54.13 54.70 1nvu s LEU 113 Cb -0.09 -2.80 0.01 0.00 0.50 0.00 0.00 46.19 43.81 1nvu s LEU 113 CO 0.00 -0.15 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.01 1nvu s VAL 114 N 1.35 2.29 -0.56 1.68 1.01 0.17 -0.87 120.40 125.47 1nvu s VAL 114 Ca 0.27 -0.88 -0.13 0.00 0.00 0.00 0.00 61.98 61.24 1nvu s VAL 114 Cb -0.16 -1.95 0.14 0.00 0.00 0.00 0.00 36.38 34.41 1nvu s VAL 114 CO 0.11 0.53 0.48 -0.83 0.00 0.00 0.00 175.10 175.39 1nvu s GLY 115 N 1.01 2.16 0.67 4.51 0.00 -0.53 -1.32 107.32 113.82 1nvu s GLY 115 Ca -0.02 -2.66 -0.05 0.00 0.00 0.00 0.00 44.72 41.99 1nvu s GLY 115 CO -0.05 1.18 0.97 0.21 0.00 0.00 0.00 173.10 175.40 1nvu s ASN 116 N 3.02 4.88 -0.94 1.64 2.47 0.87 -0.83 114.94 126.05 1nvu s ASN 116 Ca 0.06 0.32 -0.01 0.00 0.42 0.00 0.00 52.86 53.66 1nvu s ASN 116 Cb -0.26 -1.01 0.00 0.00 -1.45 0.00 0.00 41.25 38.53 1nvu s ASN 116 CO 0.00 -1.52 0.11 0.29 -3.72 0.00 0.00 177.10 172.25 1nvu n LYS 117 N -2.80 -1.47 0.00 0.43 5.02 -0.61 -1.27 118.16 117.46 1nvu n LYS 117 Ca 0.08 0.54 0.03 0.00 -2.02 0.00 0.00 58.31 56.94 1nvu n LYS 117 Cb 0.60 -4.63 0.20 0.00 -0.02 0.00 0.00 35.03 31.18 1nvu n LYS 117 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nvu h ASP 119 N 0.00 0.00 -3.63 0.00 2.03 -1.91 -3.46 116.42 109.44 1nvu h ASP 119 Ca 0.00 -0.14 -0.51 0.00 -0.73 0.00 0.00 57.03 55.65 1nvu h ASP 119 Cb 0.00 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.47 1nvu h ASP 119 CO 0.00 0.07 0.20 -0.76 -1.03 0.00 0.00 179.24 177.72 1nvu s LEU 120 N -4.65 4.44 0.19 0.15 1.43 -0.78 -4.99 118.68 114.48 1nvu s LEU 120 Ca 0.05 1.62 0.14 0.00 -1.03 0.00 0.00 54.13 54.91 1nvu s LEU 120 Cb 0.12 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.72 1nvu s LEU 120 CO 0.73 0.08 1.24 0.00 0.23 0.00 0.00 176.35 178.63 1nvu h ALA 121 N 3.71 0.62 0.00 4.21 0.00 -1.89 -3.39 119.26 122.52 1nvu h ALA 121 Ca -0.47 -0.65 -0.60 0.00 0.00 0.00 0.00 54.91 53.19 1nvu h ALA 121 Cb 1.20 0.02 0.02 0.00 0.00 0.00 0.00 17.79 19.02 1nvu h ALA 121 CO 0.66 0.82 3.37 0.00 0.00 0.00 0.00 179.25 184.09 1nvu n ALA 122 N -2.30 7.20 -2.05 0.00 0.00 -1.26 -4.96 120.51 117.15 1nvu n ALA 122 Ca -0.02 -3.23 -0.41 0.00 0.00 0.00 0.00 53.44 49.78 1nvu n ALA 122 Cb 0.80 -3.25 -0.03 0.00 0.00 0.00 0.00 19.45 16.97 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 2.18 4.42 0.00 0.00 3.52 -1.26 -4.56 118.95 123.25 1nvu s ARG 123 Ca 0.67 1.98 0.02 0.00 -0.13 0.00 0.00 55.73 58.27 1nvu s ARG 123 Cb 0.18 -3.22 -0.01 0.00 -1.56 0.00 0.00 34.95 30.34 1nvu s ARG 123 CO -0.05 -0.21 0.11 0.25 -0.81 0.00 0.00 175.30 174.59 1nvu n THR 124 N 2.73 0.00 -4.00 4.11 -2.24 0.11 -4.93 114.28 110.05 1nvu n THR 124 Ca 0.06 -0.47 -0.34 0.00 -2.27 0.00 0.00 64.05 61.03 1nvu n THR 124 Cb 0.44 1.00 -0.15 0.00 -2.10 0.00 0.00 70.33 69.52 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 -1.05 2.76 0.36 2.28 1.01 -0.70 -4.82 120.40 120.24 1nvu s VAL 125 Ca 0.01 -0.72 -0.24 0.00 0.00 0.00 0.00 61.98 61.02 1nvu s VAL 125 Cb 0.01 -2.23 -0.10 0.00 0.00 0.00 0.00 36.38 34.06 1nvu s VAL 125 CO 0.06 0.46 0.95 -1.61 0.00 0.00 0.00 175.10 174.97 1nvu s GLU 126 N 1.39 4.45 0.32 2.72 0.41 -1.26 -4.93 118.70 121.81 1nvu s GLU 126 Ca 0.05 1.28 0.05 0.00 -0.41 0.00 0.00 54.97 55.94 1nvu s GLU 126 Cb -0.14 -2.60 0.69 0.00 -1.78 0.00 0.00 34.13 30.31 1nvu s GLU 126 CO -0.08 0.16 1.87 0.77 -0.49 0.00 0.00 175.26 177.49 1nvu h SER 127 N 2.75 0.78 -0.75 -0.19 0.02 -1.99 -2.15 113.55 112.02 1nvu h SER 127 Ca -0.48 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.49 1nvu h SER 127 Cb 1.19 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.58 1nvu h SER 127 CO 0.64 0.42 0.37 -0.09 -1.14 0.00 0.00 176.83 177.02 1nvu h ARG 128 N 0.84 1.07 -0.52 3.45 9.65 -1.98 0.15 114.38 127.03 1nvu h ARG 128 Ca 0.45 -0.15 -0.09 0.00 -1.10 0.00 0.00 59.98 59.09 1nvu h ARG 128 Cb 0.55 -0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 28.92 1nvu h ARG 128 CO -0.21 0.83 -0.01 0.37 2.80 0.00 0.00 179.97 183.74 1nvu h GLN 129 N 1.05 0.93 -0.37 0.20 4.15 -1.79 -1.00 115.11 118.28 1nvu h GLN 129 Ca 0.26 -0.30 -0.10 0.00 0.77 0.00 0.00 58.65 59.27 1nvu h GLN 129 Cb 0.10 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 1nvu h GLN 129 CO -0.03 0.96 -0.18 0.00 -1.93 0.00 0.00 178.83 177.65 1nvu h ALA 130 N 0.94 0.52 -0.71 3.38 0.00 -1.24 -2.58 119.26 119.57 1nvu h ALA 130 Ca 0.15 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1nvu h ALA 130 Cb 0.55 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1nvu h ALA 130 CO 0.03 0.46 0.46 0.37 0.00 0.00 0.00 179.25 180.57 1nvu h GLN 131 N 0.57 0.95 -0.93 0.00 5.75 -0.58 -0.36 115.11 120.51 1nvu h GLN 131 Ca 0.08 -0.06 0.02 0.00 -0.15 0.00 0.00 58.65 58.53 1nvu h GLN 131 Cb 0.72 -0.21 -0.05 0.00 1.07 0.00 0.00 27.48 29.02 1nvu h GLN 131 CO 0.05 0.64 0.62 -0.44 -2.65 0.00 0.00 178.83 177.05 1nvu h ASP 132 N 0.97 1.06 -0.35 -0.69 3.32 -1.08 0.43 116.42 120.08 1nvu h ASP 132 Ca 0.26 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.24 1nvu h ASP 132 Cb -0.09 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.19 1nvu h ASP 132 CO -0.05 0.76 0.03 0.25 -1.72 0.00 0.00 179.24 178.51 1nvu h LEU 133 N 1.24 0.58 -0.79 1.55 5.85 -0.98 -1.46 115.31 121.31 1nvu h LEU 133 Ca 0.35 -0.28 0.02 0.00 0.84 0.00 0.00 57.88 58.81 1nvu h LEU 133 Cb -0.11 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.72 1nvu h LEU 133 CO -0.08 0.72 0.52 0.00 -0.34 0.00 0.00 178.44 179.25 1nvu h ALA 134 N 0.89 1.02 -0.79 1.25 0.00 -0.48 -1.61 119.26 119.53 1nvu h ALA 134 Ca 0.10 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1nvu h ALA 134 Cb 0.40 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1nvu h ALA 134 CO 0.01 0.37 0.29 0.00 0.00 0.00 0.00 179.25 179.93 1nvu h ARG 135 N 1.04 1.19 0.00 0.00 3.08 -0.75 0.80 114.38 119.73 1nvu h ARG 135 Ca 0.30 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 1nvu h ARG 135 Cb -0.07 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 29.79 1nvu h ARG 135 CO -0.08 0.98 -0.08 0.66 -1.07 0.00 0.00 179.97 180.37 1nvu h SER 136 N 1.15 0.00 0.16 7.04 4.64 -0.36 -0.82 113.55 125.36 1nvu h SER 136 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1nvu h SER 136 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1nvu h SER 136 CO -0.02 0.08 -0.78 -1.22 -0.87 0.00 0.00 176.83 174.02 1nvu n TYR 137 N -3.72 0.00 -2.28 4.77 4.01 -0.65 -4.97 117.16 114.32 1nvu n TYR 137 Ca -0.02 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.67 1nvu n TYR 137 Cb 0.18 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.13 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 1.49 0.34 3.24 2.72 0.00 0.11 -5.03 105.19 108.06 1nvu n GLY 138 Ca 0.05 -0.64 -0.13 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.48 0.90 0.53 -0.61 -4.36 -0.26 -5.01 121.20 109.91 1nvu s ILE 139 Ca 0.04 -2.00 -0.17 0.00 -0.26 0.00 0.00 60.65 58.25 1nvu s ILE 139 Cb -0.02 -1.94 -0.07 0.00 1.25 0.00 0.00 42.46 41.68 1nvu s ILE 139 CO 0.05 -0.65 1.01 -2.16 0.24 0.00 0.00 174.94 173.42 1nvu s PRO 140 N -3.83 3.75 -0.15 0.37 0.04 -1.26 -4.12 135.00 129.79 1nvu s PRO 140 Ca 0.19 1.09 0.01 0.00 0.04 0.00 0.00 61.00 62.33 1nvu s PRO 140 Cb 0.05 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1nvu s PRO 140 CO 0.01 -0.44 -0.19 -0.47 0.04 0.00 0.00 177.00 175.95 1nvu s TYR 141 N -2.47 2.73 -0.07 0.56 5.04 -1.26 -1.30 117.35 120.58 1nvu s TYR 141 Ca 0.61 -1.22 0.02 0.00 -2.44 0.00 0.00 57.07 54.04 1nvu s TYR 141 Cb -0.12 -1.86 0.02 0.00 0.35 0.00 0.00 41.96 40.34 1nvu s TYR 141 CO 0.31 -0.56 -0.10 0.42 -1.34 0.00 0.00 175.55 174.27 1nvu s ILE 142 N 0.85 1.02 -0.04 3.14 1.01 -0.05 -4.99 121.20 122.15 1nvu s ILE 142 Ca -0.05 -0.39 -0.15 0.00 0.00 0.00 0.00 60.65 60.05 1nvu s ILE 142 Cb -0.15 -0.96 -0.05 0.00 0.01 0.00 0.00 42.46 41.30 1nvu s ILE 142 CO -0.02 0.34 0.41 -1.61 0.00 0.00 0.00 174.94 174.06 1nvu s GLU 143 N 0.86 4.03 0.26 2.79 2.02 -1.26 -1.45 118.70 125.94 1nvu s GLU 143 Ca -0.11 0.39 0.02 0.00 0.02 0.00 0.00 54.97 55.29 1nvu s GLU 143 Cb -0.15 -3.28 -0.04 0.00 0.10 0.00 0.00 34.13 30.76 1nvu s GLU 143 CO 0.01 0.55 0.15 0.95 0.02 0.00 0.00 175.26 176.95 1nvu s THR 144 N -0.62 0.21 -0.20 3.63 -4.23 -0.01 -4.36 115.64 110.05 1nvu s THR 144 Ca 0.23 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.71 1nvu s THR 144 Cb -0.16 -2.53 0.10 0.00 1.34 0.00 0.00 72.50 71.25 1nvu s THR 144 CO 0.12 0.00 0.27 -0.55 -0.54 0.00 0.00 174.62 173.92 1nvu s SER 145 N -3.29 0.89 0.55 3.99 0.15 -0.55 -0.81 113.70 114.63 1nvu s SER 145 Ca 0.38 0.06 0.33 0.00 0.70 0.00 0.00 55.95 57.42 1nvu s SER 145 Cb 0.06 0.63 1.43 0.00 -1.71 0.00 0.00 66.02 66.43 1nvu s SER 145 CO 0.16 -0.30 2.01 0.00 1.20 0.00 0.00 173.24 176.32 1nvu h ALA 146 N 8.28 1.03 0.08 5.45 0.00 -1.89 0.21 119.26 132.41 1nvu h ALA 146 Ca -0.17 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1nvu h ALA 146 Cb 1.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1nvu h ALA 146 CO 0.25 0.05 -0.04 -0.22 0.00 0.00 0.00 179.25 179.29 1nvu h LYS 147 N 0.00 -0.10 0.00 0.00 3.64 -1.94 -3.35 116.57 114.82 1nvu h LYS 147 Ca -0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1nvu h LYS 147 Cb 0.47 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1nvu h LYS 147 CO 0.01 0.45 -0.82 0.25 -2.27 0.00 0.00 179.45 177.07 1nvu n THR 148 N -4.82 0.34 -0.53 1.00 -2.24 -1.22 -4.86 114.28 101.95 1nvu n THR 148 Ca -0.08 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1nvu n THR 148 Cb 0.30 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 1nvu n THR 148 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1nvu n ARG 149 N -2.16 0.00 -1.69 -0.78 0.63 0.73 -5.02 116.66 108.37 1nvu n ARG 149 Ca 0.02 0.00 -0.44 0.00 -0.92 0.00 0.00 57.85 56.51 1nvu n ARG 149 Cb 0.46 -1.50 -0.03 0.00 0.45 0.00 0.00 32.46 31.84 1nvu n ARG 149 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1nvu n GLN 150 N -2.00 2.29 -0.46 -0.14 7.27 -1.15 -2.32 117.38 120.88 1nvu n GLN 150 Ca 0.00 0.82 0.00 0.00 0.07 0.00 0.00 57.00 57.89 1nvu n GLN 150 Cb 0.00 -2.54 0.00 0.00 2.41 0.00 0.00 30.24 30.11 1nvu n GLN 150 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1nvu n GLY 151 N 2.48 0.08 0.28 1.69 0.00 -1.26 -1.48 105.19 106.98 1nvu n GLY 151 Ca 0.12 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.98 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 0.51 -0.76 1.61 2.07 -1.75 -0.91 116.25 117.02 1nvu h VAL 152 Ca 0.00 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 1nvu h VAL 152 Cb 0.00 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 1nvu h VAL 152 CO 0.00 0.01 0.47 -0.33 0.02 0.00 0.00 177.57 177.74 1nvu h GLU 153 N -0.71 1.02 -0.87 1.57 5.08 -1.89 -2.54 114.58 116.23 1nvu h GLU 153 Ca -0.07 -0.08 0.08 0.00 -1.00 0.00 0.00 59.36 58.29 1nvu h GLU 153 Cb 0.53 -0.22 -0.07 0.00 0.50 0.00 0.00 28.75 29.50 1nvu h GLU 153 CO 0.11 0.71 0.53 0.22 -1.00 0.00 0.00 179.01 179.58 1nvu h ASP 154 N 1.03 0.80 0.24 1.42 3.58 -1.89 0.15 116.42 121.75 1nvu h ASP 154 Ca 0.27 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.74 1nvu h ASP 154 Cb -0.06 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 40.86 1nvu h ASP 154 CO -0.05 0.48 -0.11 0.00 -2.88 0.00 0.00 179.24 176.67 1nvu h ALA 155 N 1.44 -0.32 -0.36 -0.78 0.00 -0.76 -0.67 119.26 117.82 1nvu h ALA 155 Ca 0.40 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 1nvu h ALA 155 Cb 0.28 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1nvu h ALA 155 CO -0.21 -0.60 -0.10 0.74 0.00 0.00 0.00 179.25 179.08 1nvu h PHE 156 N -0.48 0.80 0.00 0.00 0.04 -1.21 -2.64 116.94 113.44 1nvu h PHE 156 Ca -0.03 -0.18 -0.10 0.00 2.80 0.00 0.00 57.97 60.46 1nvu h PHE 156 Cb 0.36 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 1nvu h PHE 156 CO -0.02 0.87 -0.50 1.88 -0.60 0.00 0.00 178.31 179.94 1nvu h TYR 157 N 0.50 0.00 -0.46 -0.55 0.05 -0.74 -1.65 116.97 114.12 1nvu h TYR 157 Ca 0.09 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.74 1nvu h TYR 157 Cb 0.61 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.34 1nvu h TYR 157 CO 0.05 0.50 -0.23 1.15 -1.05 0.00 0.00 178.16 178.58 1nvu h THR 158 N 0.00 1.27 -0.49 -2.88 2.02 -1.07 -1.48 112.91 110.28 1nvu h THR 158 Ca -0.00 -1.39 -0.01 0.00 0.77 0.00 0.00 66.41 65.78 1nvu h THR 158 Cb 1.00 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 68.54 1nvu h THR 158 CO 0.06 0.47 0.25 0.25 0.37 0.00 0.00 175.52 176.93 1nvu h LEU 159 N 0.82 0.63 -0.53 2.58 5.85 -1.07 -1.39 115.31 122.20 1nvu h LEU 159 Ca 0.10 -0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.75 1nvu h LEU 159 Cb 0.79 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.62 1nvu h LEU 159 CO 0.07 0.56 0.29 0.58 -0.34 0.00 0.00 178.44 179.59 1nvu h VAL 160 N 0.65 0.99 -0.66 1.05 2.07 -1.09 -1.13 116.25 118.12 1nvu h VAL 160 Ca 0.17 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.51 1nvu h VAL 160 Cb 0.08 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 1nvu h VAL 160 CO -0.02 0.10 0.44 0.03 0.02 0.00 0.00 177.57 178.13 1nvu h ARG 161 N 0.56 0.84 -0.38 1.57 3.08 -0.69 -0.59 114.38 118.77 1nvu h ARG 161 Ca 0.23 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 60.14 1nvu h ARG 161 Cb 0.11 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 1nvu h ARG 161 CO -0.14 0.56 -0.09 0.93 -1.07 0.00 0.00 179.97 180.15 1nvu h GLU 162 N 0.87 0.73 -0.73 0.04 5.08 -0.41 -1.66 114.58 118.50 1nvu h GLU 162 Ca 0.25 -0.28 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 1nvu h GLU 162 Cb -0.07 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 1nvu h GLU 162 CO -0.06 0.88 0.24 0.82 -1.00 0.00 0.00 179.01 179.89 1nvu h ILE 163 N 0.54 1.26 -0.74 3.13 2.04 -0.70 -1.52 117.51 121.52 1nvu h ILE 163 Ca 0.10 -0.88 -0.06 0.00 1.00 0.00 0.00 64.86 65.01 1nvu h ILE 163 Cb 0.61 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 1nvu h ILE 163 CO 0.04 0.35 0.21 -0.09 0.00 0.00 0.00 178.15 178.66 1nvu h ARG 164 N 1.08 1.16 -0.00 2.37 2.43 -0.95 -2.94 114.38 117.53 1nvu h ARG 164 Ca 0.24 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1nvu h ARG 164 Cb 0.28 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1nvu h ARG 164 CO -0.01 0.99 -0.30 1.04 -1.51 0.00 0.00 179.97 180.19 1nvu n GLN 165 N -4.25 0.17 0.00 0.20 6.02 -0.64 -5.10 117.38 113.79 1nvu n GLN 165 Ca 0.06 -0.08 0.09 0.00 -0.01 0.00 0.00 57.00 57.06 1nvu n GLN 165 Cb 0.24 -1.50 0.55 0.00 1.02 0.00 0.00 30.24 30.56 1nvu n GLN 165 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63