#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x0h n SER 2 N 0.00 -1.21 -3.44 1.61 2.88 -1.26 -5.04 113.62 107.15 1x0h n SER 2 Ca 0.00 -2.04 -0.27 0.00 -1.33 0.00 0.00 58.87 55.22 1x0h n SER 2 Cb 0.00 0.51 -0.10 0.00 -0.75 0.00 0.00 64.21 63.87 1x0h n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x0h s SER 3 N -1.02 1.80 0.08 -3.46 0.01 -1.26 -5.11 113.70 104.75 1x0h s SER 3 Ca 0.05 -3.08 -0.31 0.00 1.31 0.00 0.00 55.95 53.92 1x0h s SER 3 Cb 0.26 -0.54 -0.08 0.00 0.21 0.00 0.00 66.02 65.88 1x0h s SER 3 CO -0.08 -0.17 1.49 -0.83 0.41 0.00 0.00 173.24 174.06 1x0h s GLY 4 N -0.01 1.77 -0.28 3.44 0.00 -1.26 -4.91 107.32 106.06 1x0h s GLY 4 Ca 0.31 1.13 0.09 0.00 0.00 0.00 0.00 44.72 46.25 1x0h s GLY 4 CO -0.18 2.57 1.35 -1.14 0.00 0.00 0.00 173.10 175.70 1x0h n SER 5 N 4.71 3.00 -4.48 1.64 3.41 -1.26 -4.94 113.62 115.71 1x0h n SER 5 Ca 0.13 -3.83 -0.37 0.00 -0.26 0.00 0.00 58.87 54.55 1x0h n SER 5 Cb 0.41 -0.55 -0.03 0.00 -0.26 0.00 0.00 64.21 63.78 1x0h n SER 5 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1x0h n SER 6 N -1.02 3.98 0.00 4.04 3.41 -1.26 -4.79 113.62 117.98 1x0h n SER 6 Ca 0.32 -2.81 0.00 0.00 -0.26 0.00 0.00 58.87 56.12 1x0h n SER 6 Cb 0.88 -1.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.13 1x0h n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x0h n GLY 7 N 5.43 0.98 3.11 5.00 0.00 -1.26 -4.98 105.19 113.46 1x0h n GLY 7 Ca 0.48 -1.44 -0.08 0.00 0.00 0.00 0.00 46.02 44.97 1x0h n GLY 7 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1x0h s ILE 8 N 0.00 0.36 0.22 -0.61 -4.36 -1.26 -5.17 121.20 110.37 1x0h s ILE 8 Ca 0.00 -1.78 -0.00 0.00 -0.26 0.00 0.00 60.65 58.61 1x0h s ILE 8 Cb 0.00 -1.48 -0.04 0.00 1.25 0.00 0.00 42.46 42.19 1x0h s ILE 8 CO 0.00 -0.92 0.13 -0.94 0.24 0.00 0.00 174.94 173.45 1x0h s SER 9 N -2.84 0.41 0.38 4.36 1.04 -1.26 -4.19 113.70 111.59 1x0h s SER 9 Ca 0.07 -1.40 -0.04 0.00 0.48 0.00 0.00 55.95 55.05 1x0h s SER 9 Cb 0.06 0.34 -0.04 0.00 0.10 0.00 0.00 66.02 66.48 1x0h s SER 9 CO -0.08 -0.83 0.66 -0.76 0.98 0.00 0.00 173.24 173.21 1x0h s LEU 10 N -3.20 3.87 -0.22 2.42 1.43 -0.76 -4.98 118.68 117.25 1x0h s LEU 10 Ca 0.39 0.77 -0.04 0.00 -1.03 0.00 0.00 54.13 54.22 1x0h s LEU 10 Cb 0.07 -3.65 0.10 0.00 0.03 0.00 0.00 46.19 42.74 1x0h s LEU 10 CO 0.13 -0.38 0.22 -0.54 0.23 0.00 0.00 176.35 176.01 1x0h s LYS 11 N -4.20 0.20 -0.07 1.70 3.01 -1.26 -3.46 119.74 115.66 1x0h s LYS 11 Ca 0.45 0.08 -0.03 0.00 -1.01 0.00 0.00 55.97 55.46 1x0h s LYS 11 Cb -0.10 -1.18 0.04 0.00 -1.01 0.00 0.00 37.83 35.58 1x0h s LYS 11 CO 0.37 -0.74 0.14 0.71 0.51 0.00 0.00 175.35 176.34 1x0h s TYR 12 N 2.30 -0.15 0.89 3.18 2.02 -1.21 -5.00 117.35 119.37 1x0h s TYR 12 Ca 0.07 0.52 -0.11 0.00 -0.37 0.00 0.00 57.07 57.18 1x0h s TYR 12 Cb -0.16 -0.20 0.12 0.00 -0.40 0.00 0.00 41.96 41.33 1x0h s TYR 12 CO -0.17 -0.22 1.09 0.95 -1.57 0.00 0.00 175.55 175.64 1x0h s THR 13 N 1.78 2.71 0.41 -0.71 -4.23 -1.26 -2.30 115.64 112.03 1x0h s THR 13 Ca -0.02 0.23 0.08 0.00 -1.18 0.00 0.00 61.69 60.80 1x0h s THR 13 Cb -0.12 -2.68 0.28 0.00 1.34 0.00 0.00 72.50 71.33 1x0h s THR 13 CO -0.06 -0.30 2.03 0.00 -0.54 0.00 0.00 174.62 175.76 1x0h h ALA 14 N -1.54 1.77 -0.33 3.99 0.00 -0.21 -2.06 119.26 120.88 1x0h h ALA 14 Ca -0.49 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.27 1x0h h ALA 14 Cb 1.28 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1x0h h ALA 14 CO 0.53 0.17 -0.28 0.00 0.00 0.00 0.00 179.25 179.67 1x0h h ALA 15 N 1.72 0.48 -0.39 0.00 0.00 -1.82 -1.57 119.26 117.69 1x0h h ALA 15 Ca 0.19 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1x0h h ALA 15 Cb 0.10 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1x0h h ALA 15 CO -0.05 0.50 0.25 0.00 0.00 0.00 0.00 179.25 179.95 1x0h h ARG 16 N 0.55 0.51 0.04 0.00 2.47 -1.73 -0.55 114.38 115.67 1x0h h ARG 16 Ca 0.06 -0.03 -0.23 0.00 -1.26 0.00 0.00 59.98 58.52 1x0h h ARG 16 Cb 0.85 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 29.04 1x0h h ARG 16 CO 0.07 0.35 -1.07 -0.07 0.56 0.00 0.00 179.97 179.81 1x0h h LEU 17 N 0.53 0.13 -0.66 3.04 3.38 -1.33 -3.20 115.31 117.19 1x0h h LEU 17 Ca 0.14 -0.13 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 1x0h h LEU 17 Cb -0.04 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1x0h h LEU 17 CO -0.03 1.10 -0.54 -0.74 0.09 0.00 0.00 178.44 178.32 1x0h h HIS 18 N 0.02 0.44 -0.18 1.13 2.76 -0.47 -1.33 115.15 117.52 1x0h h HIS 18 Ca -0.05 -0.15 -0.11 0.00 -2.20 0.00 0.00 60.37 57.86 1x0h h HIS 18 Cb 1.83 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 30.69 1x0h h HIS 18 CO 0.02 0.82 -0.36 0.93 -1.30 0.00 0.00 177.93 178.04 1x0h h GLU 19 N 0.27 0.39 0.00 5.26 4.39 -1.19 -2.96 114.58 120.75 1x0h h GLU 19 Ca 0.00 -0.17 -0.21 0.00 0.34 0.00 0.00 59.36 59.32 1x0h h GLU 19 Cb 1.04 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.65 1x0h h GLU 19 CO 0.09 0.70 -1.00 0.87 -1.16 0.00 0.00 179.01 178.51 1x0h h LYS 20 N 0.33 0.01 0.00 2.33 1.57 -1.52 -3.48 116.57 115.81 1x0h h LYS 20 Ca 0.04 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1x0h h LYS 20 Cb 0.78 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.10 1x0h h LYS 20 CO 0.06 1.00 0.00 0.41 -0.57 0.00 0.00 179.45 180.35 1x0h n GLY 21 N 1.34 2.00 0.15 3.86 0.00 -0.65 -5.02 105.19 106.87 1x0h n GLY 21 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.96 1x0h n GLY 21 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1x0h h VAL 22 N 0.00 0.00 -2.98 1.61 2.07 -1.56 -3.41 116.25 111.98 1x0h h VAL 22 Ca 0.00 0.00 -0.54 0.00 0.82 0.00 0.00 66.70 66.98 1x0h h VAL 22 Cb 0.00 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.76 1x0h h VAL 22 CO 0.00 0.00 0.78 -0.22 0.02 0.00 0.00 177.57 178.15 1x0h s LEU 23 N -6.13 4.31 -0.00 2.57 2.96 -1.00 0.02 118.68 121.41 1x0h s LEU 23 Ca -0.05 2.03 -0.00 0.00 -0.22 0.00 0.00 54.13 55.89 1x0h s LEU 23 Cb 0.01 -3.56 -0.00 0.00 0.50 0.00 0.00 46.19 43.14 1x0h s LEU 23 CO 0.17 -0.66 -0.00 -0.07 -1.32 0.00 0.00 176.35 174.47 1x0h h LEU 24 N 8.17 0.00 0.00 -0.68 3.38 -0.61 -3.38 115.31 122.20 1x0h h LEU 24 Ca -0.37 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.47 1x0h h LEU 24 Cb 1.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 1x0h h LEU 24 CO 0.89 0.00 0.12 -0.62 0.09 0.00 0.00 178.44 178.92 1x0h n GLU 25 N -2.18 0.99 -3.82 1.13 1.02 -1.08 -5.03 120.64 111.68 1x0h n GLU 25 Ca -0.00 -2.48 -0.21 0.00 -0.02 0.00 0.00 57.16 54.44 1x0h n GLU 25 Cb 0.00 2.80 -0.17 0.00 -0.02 0.00 0.00 31.44 34.05 1x0h n GLU 25 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1x0h s ILE 26 N -2.36 0.30 -1.39 -3.67 1.01 -1.26 -1.27 121.20 112.56 1x0h s ILE 26 Ca 0.21 0.14 -0.11 0.00 0.00 0.00 0.00 60.65 60.89 1x0h s ILE 26 Cb -0.04 -0.45 -0.06 0.00 0.01 0.00 0.00 42.46 41.93 1x0h s ILE 26 CO 0.15 0.23 2.57 -0.62 0.00 0.00 0.00 174.94 177.27 1x0h n GLU 27 N 4.92 3.05 0.02 2.79 -0.58 -0.83 -3.63 120.64 126.38 1x0h n GLU 27 Ca -0.11 -2.10 0.00 0.00 -0.42 0.00 0.00 57.16 54.53 1x0h n GLU 27 Cb 0.50 -2.84 0.00 0.00 -0.57 0.00 0.00 31.44 28.54 1x0h n GLU 27 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1x0h n ASP 28 N 4.50 -0.40 -5.02 1.62 -0.08 -1.26 -4.91 116.55 111.00 1x0h n ASP 28 Ca 0.64 0.46 -0.21 0.00 -1.51 0.00 0.00 54.79 54.17 1x0h n ASP 28 Cb 0.25 0.75 0.06 0.00 2.34 0.00 0.00 41.12 44.52 1x0h n ASP 28 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1x0h s LEU 29 N -5.79 2.94 0.00 -2.67 1.43 -1.24 -5.14 118.68 108.20 1x0h s LEU 29 Ca 0.00 -0.99 0.04 0.00 -1.03 0.00 0.00 54.13 52.15 1x0h s LEU 29 Cb 0.00 -1.39 0.04 0.00 0.03 0.00 0.00 46.19 44.87 1x0h s LEU 29 CO 0.00 -1.39 0.34 0.00 0.23 0.00 0.00 176.35 175.53 1x0h n GLN 30 N -2.22 0.76 0.20 1.70 3.00 -1.26 -4.58 117.38 114.98 1x0h n GLN 30 Ca 0.13 -3.14 0.04 0.00 -0.01 0.00 0.00 57.00 54.03 1x0h n GLN 30 Cb 0.62 0.38 0.45 0.00 0.00 0.00 0.00 30.24 31.69 1x0h n GLN 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1x0h h VAL 31 N 0.70 1.17 0.00 5.09 2.07 -2.00 -2.17 116.25 121.11 1x0h h VAL 31 Ca -0.32 -0.82 -0.10 0.00 0.82 0.00 0.00 66.70 66.28 1x0h h VAL 31 Cb 1.15 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 1x0h h VAL 31 CO 0.51 0.24 -0.49 -1.13 0.02 0.00 0.00 177.57 176.72 1x0h h ASN 32 N 0.03 0.00 1.74 0.57 -1.24 -2.04 -2.88 115.58 111.76 1x0h h ASN 32 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1x0h h ASN 32 Cb 0.42 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.47 1x0h h ASN 32 CO 0.03 0.49 0.00 1.56 -1.29 0.00 0.00 177.43 178.22 1x0h h GLN 33 N 0.00 0.00 -0.85 6.67 4.20 -1.78 -3.26 115.11 120.10 1x0h h GLN 33 Ca -0.00 0.00 0.25 0.00 0.06 0.00 0.00 58.65 58.95 1x0h h GLN 33 Cb 0.98 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.73 1x0h h GLN 33 CO 0.06 0.00 0.72 0.74 -0.67 0.00 0.00 178.83 179.68 1x0h h PHE 34 N 0.00 0.00 0.00 2.96 -1.00 -1.34 0.67 116.94 118.24 1x0h h PHE 34 Ca 0.00 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.71 1x0h h PHE 34 Cb 0.87 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.42 1x0h h PHE 34 CO 0.00 0.00 -0.35 0.87 -1.61 0.00 0.00 178.31 177.22 1x0h h LYS 35 N 0.00 0.00 -1.10 1.51 1.79 -1.77 -2.76 116.57 114.23 1x0h h LYS 35 Ca 0.40 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 58.27 1x0h h LYS 35 Cb 1.83 0.00 -0.26 0.00 -1.58 0.00 0.00 32.23 32.22 1x0h h LYS 35 CO -0.00 0.35 0.77 0.27 -1.08 0.00 0.00 179.45 179.76 1x0h n ASN 36 N -4.11 7.25 -3.41 0.86 0.23 0.23 -4.81 115.26 111.51 1x0h n ASN 36 Ca -0.02 -3.63 -0.13 0.00 -0.53 0.00 0.00 54.58 50.27 1x0h n ASN 36 Cb 0.39 -0.99 -0.10 0.00 -2.08 0.00 0.00 39.78 37.00 1x0h n ASN 36 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1x0h s VAL 37 N -4.23 -0.48 0.02 3.53 1.01 -1.06 -5.07 120.40 114.12 1x0h s VAL 37 Ca 0.58 -0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.49 1x0h s VAL 37 Cb 0.45 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 36.04 1x0h s VAL 37 CO -0.00 -0.16 -0.03 -0.51 0.00 0.00 0.00 175.10 174.40 1x0h s ILE 38 N 2.45 3.90 -0.11 2.22 2.07 -1.26 0.05 121.20 130.51 1x0h s ILE 38 Ca 0.10 -0.78 0.00 0.00 -1.41 0.00 0.00 60.65 58.56 1x0h s ILE 38 Cb -0.16 -2.75 -0.02 0.00 0.13 0.00 0.00 42.46 39.66 1x0h s ILE 38 CO -0.14 0.32 -0.11 -0.36 -1.91 0.00 0.00 174.94 172.74 1x0h s PHE 39 N -1.10 2.84 -0.39 3.50 0.08 -0.97 -3.50 117.98 118.43 1x0h s PHE 39 Ca 0.20 -0.40 -0.02 0.00 0.12 0.00 0.00 56.93 56.83 1x0h s PHE 39 Cb -0.11 -1.80 0.10 0.00 -0.57 0.00 0.00 43.02 40.64 1x0h s PHE 39 CO 0.11 -0.03 0.17 -2.00 -0.10 0.00 0.00 175.22 173.37 1x0h s GLU 40 N -0.01 2.00 -0.43 0.44 2.12 -1.02 -3.36 118.70 118.44 1x0h s GLU 40 Ca -0.02 -1.77 -0.08 0.00 0.36 0.00 0.00 54.97 53.46 1x0h s GLU 40 Cb -0.14 -3.52 0.10 0.00 0.26 0.00 0.00 34.13 30.83 1x0h s GLU 40 CO 0.04 -1.02 0.26 0.42 -0.54 0.00 0.00 175.26 174.42 1x0h s ILE 41 N 1.13 3.99 -0.03 -3.70 1.01 -1.22 -1.92 121.20 120.46 1x0h s ILE 41 Ca 0.07 -1.64 -0.21 0.00 0.00 0.00 0.00 60.65 58.87 1x0h s ILE 41 Cb -0.22 -3.55 -0.05 0.00 0.01 0.00 0.00 42.46 38.65 1x0h s ILE 41 CO -0.04 -0.61 0.63 -0.44 0.00 0.00 0.00 174.94 174.48 1x0h s SER 42 N 2.20 6.97 0.83 3.58 0.01 -0.68 -1.83 113.70 124.78 1x0h s SER 42 Ca 0.04 1.16 0.00 0.00 1.31 0.00 0.00 55.95 58.46 1x0h s SER 42 Cb -0.24 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 63.61 1x0h s SER 42 CO -0.00 0.03 0.00 -0.81 0.41 0.00 0.00 173.24 172.87 1x0h n PRO 43 N 3.10 -0.20 -3.89 12.44 -0.04 -1.26 -1.96 135.00 143.19 1x0h n PRO 43 Ca -0.05 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.33 1x0h n PRO 43 Cb 0.51 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.94 1x0h n PRO 43 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1x0h s THR 44 N -0.83 0.00 -0.02 0.52 -4.23 -1.26 -4.68 115.64 105.14 1x0h s THR 44 Ca 0.00 -1.09 -0.20 0.00 -1.18 0.00 0.00 61.69 59.21 1x0h s THR 44 Cb 0.00 -2.01 -0.13 0.00 1.34 0.00 0.00 72.50 71.70 1x0h s THR 44 CO 0.00 -0.01 0.88 -0.33 -0.54 0.00 0.00 174.62 174.62 1x0h h GLU 45 N 2.10 -0.51 -6.49 3.99 4.39 -2.00 -3.43 114.58 112.62 1x0h h GLU 45 Ca -0.22 0.03 -0.53 0.00 0.34 0.00 0.00 59.36 58.98 1x0h h GLU 45 Cb 1.25 0.12 0.02 0.00 -0.10 0.00 0.00 28.75 30.04 1x0h h GLU 45 CO 0.28 -0.23 0.84 -1.21 -1.16 0.00 0.00 179.01 177.53 1x0h s GLU 46 N -3.85 4.27 0.58 2.33 8.01 -1.26 -4.99 118.70 123.79 1x0h s GLU 46 Ca -0.11 2.15 -0.17 0.00 0.01 0.00 0.00 54.97 56.85 1x0h s GLU 46 Cb 0.01 -3.39 -0.04 0.00 -4.31 0.00 0.00 34.13 26.40 1x0h s GLU 46 CO 0.38 -0.56 1.07 0.54 0.01 0.00 0.00 175.26 176.70 1x0h s VAL 47 N 1.78 3.66 0.00 2.63 0.11 -1.26 -3.63 120.40 123.68 1x0h s VAL 47 Ca 0.67 0.85 0.00 0.00 -2.93 0.00 0.00 61.98 60.57 1x0h s VAL 47 Cb -0.37 -3.34 0.00 0.00 -1.53 0.00 0.00 36.38 31.14 1x0h s VAL 47 CO 0.30 -0.40 0.00 0.61 -3.33 0.00 0.00 175.10 172.27 1x0h n GLY 48 N -0.68 2.95 3.59 6.54 0.00 -1.26 -5.02 105.19 111.31 1x0h n GLY 48 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 1x0h n GLY 48 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x0h s ASP 49 N 0.73 5.27 0.12 1.61 -1.08 -1.24 -3.38 116.67 118.70 1x0h s ASP 49 Ca 0.00 0.02 0.06 0.00 -0.52 0.00 0.00 52.55 52.10 1x0h s ASP 49 Cb 0.00 -1.83 -0.04 0.00 -1.46 0.00 0.00 42.92 39.59 1x0h s ASP 49 CO 0.00 0.21 -0.13 -0.36 0.52 0.00 0.00 175.17 175.40 1x0h s PHE 50 N 0.16 1.37 -0.29 -5.34 0.08 -1.03 -4.48 117.98 108.45 1x0h s PHE 50 Ca 0.02 -0.58 -0.07 0.00 0.12 0.00 0.00 56.93 56.42 1x0h s PHE 50 Cb -0.13 -0.71 -0.00 0.00 -0.57 0.00 0.00 43.02 41.60 1x0h s PHE 50 CO 0.02 0.13 0.09 -2.00 -0.10 0.00 0.00 175.22 173.36 1x0h s GLU 51 N -2.77 3.26 -0.16 0.44 2.12 -0.83 -0.13 118.70 120.63 1x0h s GLU 51 Ca 0.09 -0.75 -0.05 0.00 0.36 0.00 0.00 54.97 54.62 1x0h s GLU 51 Cb -0.04 -3.40 -0.03 0.00 0.26 0.00 0.00 34.13 30.91 1x0h s GLU 51 CO 0.03 -0.39 0.01 0.08 -0.54 0.00 0.00 175.26 174.45 1x0h s VAL 52 N 1.55 4.35 0.09 3.70 1.01 0.47 -1.69 120.40 129.88 1x0h s VAL 52 Ca 0.04 -0.20 -0.04 0.00 0.00 0.00 0.00 61.98 61.78 1x0h s VAL 52 Cb -0.17 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 1x0h s VAL 52 CO 0.03 0.49 0.08 -0.75 0.00 0.00 0.00 175.10 174.95 1x0h s LYS 53 N 0.23 0.78 -0.31 2.72 2.20 -0.81 -3.27 119.74 121.28 1x0h s LYS 53 Ca 0.01 -1.18 0.01 0.00 -0.36 0.00 0.00 55.97 54.45 1x0h s LYS 53 Cb -0.13 0.27 0.10 0.00 -1.51 0.00 0.00 37.83 36.55 1x0h s LYS 53 CO 0.02 -0.21 0.06 0.00 -0.36 0.00 0.00 175.35 174.86 1x0h s ALA 54 N -3.93 2.10 -0.35 3.13 0.00 -1.26 -2.44 121.76 119.01 1x0h s ALA 54 Ca 0.10 -1.97 -0.29 0.00 0.00 0.00 0.00 51.96 49.81 1x0h s ALA 54 Cb 0.07 -1.73 -0.01 0.00 0.00 0.00 0.00 23.12 21.44 1x0h s ALA 54 CO -0.07 -1.62 1.66 0.21 0.00 0.00 0.00 175.76 175.94 1x0h s LYS 55 N 1.32 3.44 0.00 0.00 2.20 -1.23 -4.51 119.74 120.96 1x0h s LYS 55 Ca 0.09 1.28 0.00 0.00 -0.36 0.00 0.00 55.97 56.98 1x0h s LYS 55 Cb -0.18 -4.13 0.00 0.00 -1.51 0.00 0.00 37.83 32.01 1x0h s LYS 55 CO -0.17 -1.73 0.00 0.34 -0.36 0.00 0.00 175.35 173.44 1x0h n PHE 56 N 9.69 -1.24 0.17 4.03 7.35 -1.26 -4.42 117.46 131.77 1x0h n PHE 56 Ca 0.21 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.90 1x0h n PHE 56 Cb 0.47 0.32 0.00 0.00 0.35 0.00 0.00 39.48 40.62 1x0h n PHE 56 CO 0.00 0.00 0.00 -1.33 -0.76 0.00 0.00 176.76 174.67 1x0h n MET 57 N -2.14 0.00 0.00 -4.13 2.81 -1.26 -5.13 117.12 107.27 1x0h n MET 57 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1x0h n MET 57 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 1x0h n MET 57 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1x0h n GLY 58 N -0.59 0.64 1.50 3.03 0.00 -1.26 -5.07 105.19 103.44 1x0h n GLY 58 Ca 0.00 -0.65 0.03 0.00 0.00 0.00 0.00 46.02 45.40 1x0h n GLY 58 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1x0h n VAL 59 N 0.00 0.49 -4.42 1.61 0.24 -1.26 -5.09 118.33 109.90 1x0h n VAL 59 Ca 0.00 -1.57 -0.24 0.00 -2.04 0.00 0.00 64.34 60.49 1x0h n VAL 59 Cb 0.00 0.81 -0.04 0.00 -1.47 0.00 0.00 33.84 33.14 1x0h n VAL 59 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1x0h n GLN 60 N 0.14 1.03 -4.70 7.34 10.64 -1.26 -5.14 117.38 125.43 1x0h n GLN 60 Ca 0.09 -2.77 -0.33 0.00 -1.83 0.00 0.00 57.00 52.16 1x0h n GLN 60 Cb 1.05 0.66 -0.16 0.00 -0.86 0.00 0.00 30.24 30.92 1x0h n GLN 60 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.06 176.64 1x0h s MET 61 N -3.46 3.05 0.45 2.61 -2.45 -1.26 -5.05 119.30 113.20 1x0h s MET 61 Ca 0.05 -0.84 0.00 0.00 -1.25 0.00 0.00 55.69 53.65 1x0h s MET 61 Cb -0.00 -2.45 0.00 0.00 1.25 0.00 0.00 34.83 33.62 1x0h s MET 61 CO 0.03 0.01 0.00 0.39 1.05 0.00 0.00 175.02 176.50 1x0h n GLU 62 N 4.02 -3.09 -3.54 4.11 1.02 -1.26 -4.77 120.64 117.12 1x0h n GLU 62 Ca -0.20 2.25 -0.37 0.00 -0.02 0.00 0.00 57.16 58.82 1x0h n GLU 62 Cb 0.52 -3.71 -0.08 0.00 -0.02 0.00 0.00 31.44 28.15 1x0h n GLU 62 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1x0h s THR 63 N -3.02 5.30 -0.44 2.62 -4.23 -1.26 -5.03 115.64 109.57 1x0h s THR 63 Ca 0.00 0.45 -0.28 0.00 -1.18 0.00 0.00 61.69 60.68 1x0h s THR 63 Cb 0.00 -3.61 0.00 0.00 1.34 0.00 0.00 72.50 70.23 1x0h s THR 63 CO 0.00 0.33 1.55 0.12 -0.54 0.00 0.00 174.62 176.08 1x0h s PHE 64 N 0.93 2.16 0.06 3.99 5.36 -1.20 -4.87 117.98 124.40 1x0h s PHE 64 Ca 0.14 0.63 -0.18 0.00 -0.96 0.00 0.00 56.93 56.55 1x0h s PHE 64 Cb -0.14 -4.27 -0.06 0.00 -0.34 0.00 0.00 43.02 38.21 1x0h s PHE 64 CO 0.05 -2.25 0.54 -1.64 -1.46 0.00 0.00 175.22 170.45 1x0h s MET 65 N 5.44 4.14 -0.01 10.12 -1.94 -1.26 -0.40 119.30 135.39 1x0h s MET 65 Ca 0.64 0.67 -0.08 0.00 -1.71 0.00 0.00 55.69 55.21 1x0h s MET 65 Cb -0.15 -3.22 -0.05 0.00 2.01 0.00 0.00 34.83 33.42 1x0h s MET 65 CO 0.30 0.64 0.28 -1.17 -0.01 0.00 0.00 175.02 175.06 1x0h s LEU 66 N -1.14 4.39 0.08 -0.03 2.96 0.82 -4.90 118.68 120.87 1x0h s LEU 66 Ca 0.28 0.62 0.04 0.00 -0.22 0.00 0.00 54.13 54.85 1x0h s LEU 66 Cb -0.19 -2.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.88 1x0h s LEU 66 CO 0.18 0.28 0.03 -1.00 -1.32 0.00 0.00 176.35 174.52 1x0h s HIS 67 N -1.23 3.07 0.11 5.38 3.76 -1.26 -2.47 115.29 122.65 1x0h s HIS 67 Ca 0.25 0.02 0.05 0.00 -0.15 0.00 0.00 55.06 55.24 1x0h s HIS 67 Cb -0.14 -1.58 -0.22 0.00 1.11 0.00 0.00 32.58 31.76 1x0h s HIS 67 CO 0.14 0.50 1.24 -0.92 -0.85 0.00 0.00 174.74 174.84 1x0h h TYR 68 N 3.42 0.08 -0.32 1.40 3.20 -1.99 -3.25 116.97 119.51 1x0h h TYR 68 Ca -0.47 -0.06 0.01 0.00 3.14 0.00 0.00 58.73 61.35 1x0h h TYR 68 Cb 1.16 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.41 1x0h h TYR 68 CO 0.61 1.05 0.20 0.37 -1.64 0.00 0.00 178.16 178.74 1x0h h GLN 69 N 0.01 0.40 -0.61 1.82 5.75 -1.95 -1.33 115.11 119.20 1x0h h GLN 69 Ca -0.04 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.41 1x0h h GLN 69 Cb 1.81 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 30.24 1x0h h GLN 69 CO 0.14 0.26 0.25 -0.44 -2.65 0.00 0.00 178.83 176.40 1x0h h ASP 70 N 0.41 0.80 -0.38 -0.69 3.32 -1.99 0.23 116.42 118.12 1x0h h ASP 70 Ca 0.12 -0.10 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 1x0h h ASP 70 Cb -0.03 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 1x0h h ASP 70 CO -0.04 0.71 0.10 -0.07 -1.72 0.00 0.00 179.24 178.22 1x0h h LEU 71 N 0.87 0.57 -0.34 1.55 3.38 -1.47 -2.23 115.31 117.64 1x0h h LEU 71 Ca 0.21 -0.22 -0.19 0.00 0.09 0.00 0.00 57.88 57.76 1x0h h LEU 71 Cb 0.15 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1x0h h LEU 71 CO -0.02 0.64 -0.73 -0.07 0.09 0.00 0.00 178.44 178.36 1x0h h LEU 72 N 0.47 0.64 -1.75 1.67 3.38 -0.95 -3.03 115.31 115.74 1x0h h LEU 72 Ca 0.12 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 1x0h h LEU 72 Cb 0.29 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1x0h h LEU 72 CO -0.00 1.17 0.14 -0.61 0.09 0.00 0.00 178.44 179.23 1x0h h GLN 73 N 0.38 0.31 -0.12 1.13 -0.00 -0.43 -0.79 115.11 115.58 1x0h h GLN 73 Ca -0.03 -0.02 -0.15 0.00 -0.00 0.00 0.00 58.65 58.45 1x0h h GLN 73 Cb 1.31 -0.07 0.01 0.00 0.00 0.00 0.00 27.48 28.73 1x0h h GLN 73 CO 0.13 0.21 -0.50 -0.07 0.00 0.00 0.00 178.83 178.61 1x0h h LEU 74 N 0.31 0.66 -1.24 -2.39 3.38 -1.33 -2.28 115.31 112.42 1x0h h LEU 74 Ca 0.08 -0.62 -0.07 0.00 0.09 0.00 0.00 57.88 57.36 1x0h h LEU 74 Cb -0.01 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1x0h h LEU 74 CO -0.02 1.17 -0.26 -0.61 0.09 0.00 0.00 178.44 178.81 1x0h h GLN 75 N 0.18 0.19 -0.05 1.13 4.15 -1.31 0.66 115.11 120.06 1x0h h GLN 75 Ca -0.03 -0.06 -0.20 0.00 0.77 0.00 0.00 58.65 59.13 1x0h h GLN 75 Cb 1.14 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.81 1x0h h GLN 75 CO 0.11 0.45 -0.79 -0.92 -1.93 0.00 0.00 178.83 175.74 1x0h h TYR 76 N 0.18 0.56 0.02 3.99 3.20 -1.14 -3.37 116.97 120.41 1x0h h TYR 76 Ca 0.03 -0.27 -0.00 0.00 3.14 0.00 0.00 58.73 61.63 1x0h h TYR 76 Cb 0.56 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.75 1x0h h TYR 76 CO 0.01 1.04 -0.01 0.93 -1.64 0.00 0.00 178.16 178.49 1x0h h GLU 77 N 0.26 -0.03 0.00 1.82 4.39 -1.10 -3.49 114.58 116.42 1x0h h GLU 77 Ca -0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1x0h h GLU 77 Cb 1.39 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.05 1x0h h GLU 77 CO 0.14 -0.02 0.00 0.41 -1.16 0.00 0.00 179.01 178.38 1x0h n GLY 78 N 1.73 0.00 3.13 -3.84 0.00 0.10 -5.10 105.19 101.21 1x0h n GLY 78 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1x0h n GLY 78 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x0h s VAL 79 N 0.00 2.32 -0.14 1.61 1.01 -0.47 -4.97 120.40 119.76 1x0h s VAL 79 Ca 0.00 -1.10 0.14 0.00 0.00 0.00 0.00 61.98 61.02 1x0h s VAL 79 Cb 0.00 -2.12 -0.24 0.00 0.00 0.00 0.00 36.38 34.02 1x0h s VAL 79 CO 0.00 0.33 0.28 0.00 0.00 0.00 0.00 175.10 175.71 1x0h n ALA 80 N 4.60 1.47 -2.57 5.51 0.00 -1.26 -4.39 120.51 123.86 1x0h n ALA 80 Ca -0.18 -1.09 -0.38 0.00 0.00 0.00 0.00 53.44 51.79 1x0h n ALA 80 Cb 0.48 -0.44 -0.06 0.00 0.00 0.00 0.00 19.45 19.43 1x0h n ALA 80 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1x0h s VAL 81 N -2.53 5.09 -0.25 0.00 1.01 -1.26 -0.41 120.40 122.05 1x0h s VAL 81 Ca -0.10 0.84 0.01 0.00 0.00 0.00 0.00 61.98 62.73 1x0h s VAL 81 Cb 0.07 -3.73 0.04 0.00 0.00 0.00 0.00 36.38 32.76 1x0h s VAL 81 CO 0.81 0.50 -0.11 -0.32 0.00 0.00 0.00 175.10 175.99 1x0h s MET 82 N -0.54 2.54 -0.58 2.72 1.75 0.14 -4.85 119.30 120.48 1x0h s MET 82 Ca 0.24 -1.15 -0.27 0.00 -1.25 0.00 0.00 55.69 53.25 1x0h s MET 82 Cb -0.16 -2.87 0.00 0.00 2.84 0.00 0.00 34.83 34.64 1x0h s MET 82 CO 0.12 -0.46 1.55 0.21 -0.65 0.00 0.00 175.02 175.78 1x0h s LYS 83 N 1.20 3.10 -0.13 4.11 2.47 -1.26 -2.07 119.74 127.16 1x0h s LYS 83 Ca -0.04 0.47 -0.01 0.00 -1.56 0.00 0.00 55.97 54.83 1x0h s LYS 83 Cb -0.18 -4.21 -0.02 0.00 -1.46 0.00 0.00 37.83 31.96 1x0h s LYS 83 CO -0.06 -2.19 -0.09 -0.51 0.16 0.00 0.00 175.35 172.67 1x0h s LEU 84 N 6.92 2.98 -2.05 5.43 1.43 0.12 -4.52 118.68 128.99 1x0h s LEU 84 Ca 0.56 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.44 1x0h s LEU 84 Cb -0.12 -1.69 0.00 0.00 0.03 0.00 0.00 46.19 44.41 1x0h s LEU 84 CO 0.23 0.19 0.00 0.49 0.23 0.00 0.00 176.35 177.48 1x0h n PHE 85 N 3.40 -0.23 -2.41 0.29 3.72 -1.26 -0.20 117.46 120.77 1x0h n PHE 85 Ca -0.18 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.08 1x0h n PHE 85 Cb 0.53 -3.47 -0.01 0.00 -0.94 0.00 0.00 39.48 35.58 1x0h n PHE 85 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1x0h n ASP 86 N -1.41 -4.32 0.13 4.37 8.00 -1.26 -4.53 116.55 117.53 1x0h n ASP 86 Ca -0.21 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.45 1x0h n ASP 86 Cb 0.66 -3.66 0.00 0.00 -0.02 0.00 0.00 41.12 38.11 1x0h n ASP 86 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1x0h n ARG 87 N -2.83 0.00 -2.34 -1.24 1.74 -0.72 -4.95 116.66 106.32 1x0h n ARG 87 Ca -0.17 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.49 1x0h n ARG 87 Cb 0.62 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 32.04 1x0h n ARG 87 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x0h s ALA 88 N -2.00 3.56 -0.30 7.54 0.00 0.72 -1.97 121.76 129.31 1x0h s ALA 88 Ca 0.00 0.72 -0.05 0.00 0.00 0.00 0.00 51.96 52.63 1x0h s ALA 88 Cb 0.00 -3.57 0.03 0.00 0.00 0.00 0.00 23.12 19.57 1x0h s ALA 88 CO 0.00 -0.91 0.05 0.15 0.00 0.00 0.00 175.76 175.05 1x0h s LYS 89 N 2.55 2.81 0.19 0.00 1.02 -0.39 0.15 119.74 126.06 1x0h s LYS 89 Ca 0.60 -1.04 0.07 0.00 0.02 0.00 0.00 55.97 55.62 1x0h s LYS 89 Cb -0.27 -3.30 -0.04 0.00 -0.52 0.00 0.00 37.83 33.69 1x0h s LYS 89 CO 0.23 -0.53 0.03 0.08 -0.92 0.00 0.00 175.35 174.24 1x0h s VAL 90 N 1.40 3.84 -0.25 3.17 1.01 -0.88 0.06 120.40 128.75 1x0h s VAL 90 Ca -0.00 -1.44 -0.21 0.00 0.00 0.00 0.00 61.98 60.32 1x0h s VAL 90 Cb -0.18 -2.96 -0.02 0.00 0.00 0.00 0.00 36.38 33.22 1x0h s VAL 90 CO 0.01 -0.16 0.65 0.21 0.00 0.00 0.00 175.10 175.80 1x0h s ASN 91 N -3.13 6.61 0.50 3.32 2.47 0.10 0.27 114.94 125.09 1x0h s ASN 91 Ca 0.29 0.75 0.29 0.00 0.42 0.00 0.00 52.86 54.60 1x0h s ASN 91 Cb -0.09 -2.35 1.26 0.00 -1.45 0.00 0.00 41.25 38.63 1x0h s ASN 91 CO 0.20 -0.38 1.96 0.58 -3.72 0.00 0.00 177.10 175.74 1x0h h VAL 92 N 5.40 0.38 0.10 -5.21 2.07 -1.00 0.90 116.25 118.88 1x0h h VAL 92 Ca -0.27 -0.75 -0.26 0.00 0.82 0.00 0.00 66.70 66.25 1x0h h VAL 92 Cb 1.12 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 1x0h h VAL 92 CO 0.78 0.12 -1.17 0.78 0.02 0.00 0.00 177.57 178.11 1x0h h ASN 93 N 0.00 0.40 0.19 0.57 4.21 -1.86 -3.24 115.58 115.84 1x0h h ASN 93 Ca -0.00 -0.41 -0.34 0.00 1.21 0.00 0.00 56.30 56.76 1x0h h ASN 93 Cb 0.54 -0.13 -0.06 0.00 -1.12 0.00 0.00 38.32 37.55 1x0h h ASN 93 CO 0.02 1.29 -2.13 0.18 -1.29 0.00 0.00 177.43 175.50 1x0h n LEU 94 N -3.55 0.34 -0.13 1.61 4.77 -1.09 -3.91 117.00 115.04 1x0h n LEU 94 Ca -0.07 0.16 -0.07 0.00 -0.03 0.00 0.00 56.01 56.00 1x0h n LEU 94 Cb 0.98 0.37 0.02 0.00 -2.33 0.00 0.00 43.42 42.46 1x0h n LEU 94 CO 0.53 0.46 1.02 0.25 -1.33 0.00 0.00 177.39 178.31 1x0h h LEU 95 N 0.00 0.38 -0.72 2.23 5.85 0.70 -1.92 115.31 121.83 1x0h h LEU 95 Ca -0.45 0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.16 1x0h h LEU 95 Cb 2.16 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 43.11 1x0h h LEU 95 CO 0.05 0.27 -0.33 0.40 -0.34 0.00 0.00 178.44 178.49 1x0h h ILE 96 N 0.48 1.28 -0.23 4.05 2.04 -1.75 -2.46 117.51 120.93 1x0h h ILE 96 Ca 0.17 -1.45 0.02 0.00 1.00 0.00 0.00 64.86 64.60 1x0h h ILE 96 Cb 0.03 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 1x0h h ILE 96 CO -0.09 0.46 0.09 0.15 0.00 0.00 0.00 178.15 178.77 1x0h h PHE 97 N 0.52 0.17 -0.16 1.37 3.04 -1.56 0.26 116.94 120.58 1x0h h PHE 97 Ca 0.06 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.00 1x0h h PHE 97 Cb 0.81 -0.04 -0.01 0.00 2.56 0.00 0.00 35.95 39.27 1x0h h PHE 97 CO 0.03 0.09 0.03 1.25 -2.02 0.00 0.00 178.31 177.70 1x0h h LEU 98 N 0.21 0.25 -1.70 0.59 5.85 -1.32 -2.83 115.31 116.37 1x0h h LEU 98 Ca 0.10 -0.25 -0.03 0.00 0.84 0.00 0.00 57.88 58.53 1x0h h LEU 98 Cb 0.05 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 1x0h h LEU 98 CO -0.08 0.44 -0.16 -0.07 -0.34 0.00 0.00 178.44 178.23 1x0h h LEU 99 N 0.06 0.00 -2.35 2.25 3.38 -1.26 0.21 115.31 117.60 1x0h h LEU 99 Ca 0.05 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.04 1x0h h LEU 99 Cb 0.29 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1x0h h LEU 99 CO 0.00 0.16 0.08 -1.13 0.09 0.00 0.00 178.44 177.64 1x0h h ASN 100 N 0.00 0.00 0.00 -0.43 -0.73 -0.22 0.68 115.58 114.88 1x0h h ASN 100 Ca -0.00 0.00 -0.09 0.00 1.87 0.00 0.00 56.30 58.08 1x0h h ASN 100 Cb 0.28 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.85 1x0h h ASN 100 CO 0.02 0.00 -1.47 0.29 -0.37 0.00 0.00 177.43 175.90 1x0h n LYS 101 N -3.87 1.88 0.00 6.67 5.02 -0.76 -4.27 118.16 122.83 1x0h n LYS 101 Ca -0.01 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 1x0h n LYS 101 Cb 0.18 -1.19 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 1x0h n LYS 101 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1x0h n LYS 102 N -2.11 0.00 -0.01 1.97 4.76 0.66 -4.60 118.16 118.84 1x0h n LYS 102 Ca -0.09 0.21 -0.17 0.00 -2.87 0.00 0.00 58.31 55.39 1x0h n LYS 102 Cb 0.56 -0.86 -0.13 0.00 -1.84 0.00 0.00 35.03 32.75 1x0h n LYS 102 CO 0.00 0.00 0.00 0.74 -1.37 0.00 0.00 177.40 176.77 1x0h h PHE 103 N 0.00 0.30 -2.15 2.13 0.04 -1.66 -3.45 116.94 112.15 1x0h h PHE 103 Ca 0.00 -0.21 -0.60 0.00 2.80 0.00 0.00 57.97 59.96 1x0h h PHE 103 Cb 0.00 -0.02 0.04 0.00 2.20 0.00 0.00 35.95 38.17 1x0h h PHE 103 CO 0.03 1.13 0.91 0.66 -0.60 0.00 0.00 178.31 180.44 1x0h n TYR 104 N -4.37 2.27 0.00 -0.55 4.02 0.18 -4.67 117.16 114.05 1x0h n TYR 104 Ca -0.12 0.17 0.00 0.00 -0.01 0.00 0.00 57.90 57.94 1x0h n TYR 104 Cb 0.64 -2.59 0.00 0.00 -0.02 0.00 0.00 39.34 37.38 1x0h n TYR 104 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1x0h n GLY 105 N 3.79 -1.68 5.17 2.72 0.00 -1.26 -4.41 105.19 109.52 1x0h n GLY 105 Ca 0.19 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.88 1x0h n GLY 105 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x0h n LYS 106 N 0.00 0.00 -3.07 1.61 5.02 -1.26 -4.68 118.16 115.77 1x0h n LYS 106 Ca 0.00 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.08 1x0h n LYS 106 Cb 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.05 1x0h n LYS 106 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1x0h n SER 107 N 1.68 -5.89 -0.50 4.39 7.64 -1.26 -4.73 113.62 114.94 1x0h n SER 107 Ca 0.00 -0.31 0.00 0.00 1.01 0.00 0.00 58.87 59.57 1x0h n SER 107 Cb 0.00 -4.67 0.00 0.00 -1.01 0.00 0.00 64.21 58.53 1x0h n SER 107 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x0h n GLY 108 N -1.56 -1.01 0.00 0.23 0.00 -1.26 -4.88 105.19 96.71 1x0h n GLY 108 Ca -0.08 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.83 1x0h n GLY 108 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x0h n PRO 109 N -1.01 -0.93 0.00 1.61 -0.04 -1.26 -5.00 135.00 128.37 1x0h n PRO 109 Ca 0.00 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.26 1x0h n PRO 109 Cb 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.32 1x0h n PRO 109 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1x0h h SER 110 N -0.98 0.33 -4.97 3.54 0.02 -1.95 -3.49 113.55 106.05 1x0h h SER 110 Ca 0.00 -0.89 0.04 0.00 -0.84 0.00 0.00 61.79 60.10 1x0h h SER 110 Cb 0.00 -0.11 -0.10 0.00 0.14 0.00 0.00 62.40 62.33 1x0h h SER 110 CO 0.00 1.43 0.28 -0.55 -1.14 0.00 0.00 176.83 176.85 1x0h s SER 111 N -6.88 -0.43 0.00 3.07 0.15 -1.26 -5.25 113.70 103.10 1x0h s SER 111 Ca -0.18 -0.18 0.31 0.00 0.70 0.00 0.00 55.95 56.59 1x0h s SER 111 Cb 0.02 0.59 1.60 0.00 -1.71 0.00 0.00 66.02 66.52 1x0h s SER 111 CO 0.77 -1.00 2.05 0.61 1.20 0.00 0.00 173.24 176.87