#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 2.34 0.02 1.61 3.41 -1.26 -4.75 113.62 114.99 1x0h n SER 2 Ca 0.00 -3.87 0.00 0.00 -0.26 0.00 0.00 58.87 54.74 1x0h n SER 2 Cb 0.00 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.44 1x0h n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1x0h n SER 3 N -1.05 -0.33 0.00 4.04 2.88 -1.26 -5.15 113.62 112.75 1x0h n SER 3 Ca 0.25 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.87 1x0h n SER 3 Cb 0.77 0.61 0.00 0.00 -0.75 0.00 0.00 64.21 64.84 1x0h n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x0h n GLY 4 N -0.52 0.96 1.43 0.46 0.00 -1.26 -5.08 105.19 101.18 1x0h n GLY 4 Ca 0.00 -1.15 0.19 0.00 0.00 0.00 0.00 46.02 45.06 1x0h n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x0h n SER 5 N 1.81 -8.51 -4.05 1.61 2.88 -1.26 -4.98 113.62 101.13 1x0h n SER 5 Ca 0.00 0.70 -0.08 0.00 -1.33 0.00 0.00 58.87 58.16 1x0h n SER 5 Cb 0.00 -4.41 -0.10 0.00 -0.75 0.00 0.00 64.21 58.95 1x0h n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x0h s SER 6 N -7.13 0.41 0.00 -3.46 0.01 -1.26 -5.09 113.70 97.18 1x0h s SER 6 Ca 0.00 -0.80 0.00 0.00 1.31 0.00 0.00 55.95 56.46 1x0h s SER 6 Cb 0.00 0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.39 1x0h s SER 6 CO 0.00 -0.48 0.00 0.61 0.41 0.00 0.00 173.24 173.78 1x0h n GLY 7 N 0.70 -2.25 3.17 3.44 0.00 -1.26 -5.11 105.19 103.88 1x0h n GLY 7 Ca -0.18 -0.93 -0.12 0.00 0.00 0.00 0.00 46.02 44.79 1x0h n GLY 7 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x0h s ILE 8 N -0.14 0.81 -0.20 -0.61 1.01 -1.26 -5.16 121.20 115.65 1x0h s ILE 8 Ca 0.00 -1.80 -0.28 0.00 0.00 0.00 0.00 60.65 58.58 1x0h s ILE 8 Cb 0.00 -1.52 0.10 0.00 0.01 0.00 0.00 42.46 41.04 1x0h s ILE 8 CO 0.00 -0.73 0.86 -0.44 0.00 0.00 0.00 174.94 174.63 1x0h s SER 9 N -2.77 -0.56 -0.39 3.58 0.01 -1.26 -4.50 113.70 107.81 1x0h s SER 9 Ca 0.09 0.88 -0.22 0.00 1.31 0.00 0.00 55.95 58.01 1x0h s SER 9 Cb 0.01 0.82 0.01 0.00 0.21 0.00 0.00 66.02 67.08 1x0h s SER 9 CO -0.02 -0.32 0.70 -0.76 0.41 0.00 0.00 173.24 173.25 1x0h s LEU 10 N -0.36 4.26 -0.39 2.44 1.43 -1.07 -4.95 118.68 120.05 1x0h s LEU 10 Ca -0.02 0.08 -0.12 0.00 -1.03 0.00 0.00 54.13 53.04 1x0h s LEU 10 Cb -0.03 -2.87 0.03 0.00 0.03 0.00 0.00 46.19 43.34 1x0h s LEU 10 CO 0.01 -0.72 0.24 -0.54 0.23 0.00 0.00 176.35 175.57 1x0h s LYS 11 N 2.94 2.85 -0.10 1.70 -0.14 -1.26 -3.21 119.74 122.52 1x0h s LYS 11 Ca 0.27 -1.08 -0.02 0.00 -1.36 0.00 0.00 55.97 53.78 1x0h s LYS 11 Cb -0.14 -3.81 0.04 0.00 -1.68 0.00 0.00 37.83 32.25 1x0h s LYS 11 CO 0.18 -0.73 0.04 0.71 -0.76 0.00 0.00 175.35 174.79 1x0h s TYR 12 N 1.59 0.48 0.91 3.18 2.02 -1.24 -5.04 117.35 119.24 1x0h s TYR 12 Ca 0.03 -0.19 -0.12 0.00 -0.37 0.00 0.00 57.07 56.43 1x0h s TYR 12 Cb -0.19 -0.73 0.13 0.00 -0.40 0.00 0.00 41.96 40.77 1x0h s TYR 12 CO 0.08 -0.37 1.09 0.95 -1.57 0.00 0.00 175.55 175.73 1x0h s THR 13 N 2.03 2.61 0.35 -0.71 -4.23 -1.26 -3.21 115.64 111.22 1x0h s THR 13 Ca 0.04 0.20 0.02 0.00 -1.18 0.00 0.00 61.69 60.77 1x0h s THR 13 Cb -0.14 -2.66 0.27 0.00 1.34 0.00 0.00 72.50 71.31 1x0h s THR 13 CO -0.06 -0.26 2.01 0.00 -0.54 0.00 0.00 174.62 175.77 1x0h h ALA 14 N -1.59 1.56 -0.11 3.99 0.00 -1.39 -1.32 119.26 120.39 1x0h h ALA 14 Ca -0.50 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.35 1x0h h ALA 14 Cb 1.29 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1x0h h ALA 14 CO 0.54 0.41 0.00 0.00 0.00 0.00 0.00 179.25 180.20 1x0h h ALA 15 N 1.61 1.79 0.05 0.00 0.00 -1.83 0.22 119.26 121.10 1x0h h ALA 15 Ca 0.24 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1x0h h ALA 15 Cb -0.08 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1x0h h ALA 15 CO -0.05 0.16 -0.03 0.00 0.00 0.00 0.00 179.25 179.34 1x0h h ARG 16 N 0.16 -0.07 -0.53 0.00 2.47 -1.60 -2.92 114.38 111.89 1x0h h ARG 16 Ca 0.04 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.75 1x0h h ARG 16 Cb 0.11 0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.42 1x0h h ARG 16 CO 0.00 0.50 0.26 -0.07 0.56 0.00 0.00 179.97 181.22 1x0h h LEU 17 N -0.93 0.65 -0.72 3.04 3.38 -1.29 -2.28 115.31 117.17 1x0h h LEU 17 Ca -0.01 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1x0h h LEU 17 Cb 0.60 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1x0h h LEU 17 CO 0.01 0.55 0.24 -0.74 0.09 0.00 0.00 178.44 178.59 1x0h h HIS 18 N 0.73 1.15 -0.31 1.13 2.76 -0.66 -1.11 115.15 118.85 1x0h h HIS 18 Ca 0.19 -0.11 -0.08 0.00 -2.20 0.00 0.00 60.37 58.16 1x0h h HIS 18 Cb 0.06 -0.34 -0.02 0.00 1.55 0.00 0.00 27.41 28.67 1x0h h HIS 18 CO 0.01 0.91 -0.15 0.93 -1.30 0.00 0.00 177.93 178.33 1x0h h GLU 19 N 1.06 0.54 -0.01 5.26 4.39 -1.22 -2.70 114.58 121.90 1x0h h GLU 19 Ca 0.23 -0.17 -0.15 0.00 0.34 0.00 0.00 59.36 59.61 1x0h h GLU 19 Cb 0.29 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 1x0h h GLU 19 CO -0.01 0.67 -0.69 0.87 -1.16 0.00 0.00 179.01 178.69 1x0h h LYS 20 N 0.49 0.07 0.00 2.33 1.57 -1.07 -3.47 116.57 116.49 1x0h h LYS 20 Ca 0.09 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1x0h h LYS 20 Cb 0.55 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1x0h h LYS 20 CO 0.03 0.73 0.00 0.41 -0.57 0.00 0.00 179.45 180.06 1x0h n GLY 21 N 0.46 1.91 0.14 3.86 0.00 -0.50 -5.02 105.19 106.05 1x0h n GLY 21 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.90 1.61 2.07 -1.60 -3.43 116.25 111.00 1x0h h VAL 22 Ca 0.00 0.00 -0.51 0.00 0.82 0.00 0.00 66.70 67.01 1x0h h VAL 22 Cb 0.00 0.00 0.05 0.00 -1.52 0.00 0.00 31.29 29.82 1x0h h VAL 22 CO 0.00 0.00 0.54 -0.22 0.02 0.00 0.00 177.57 177.91 1x0h s LEU 23 N -5.92 4.32 -0.02 2.57 2.96 -1.15 0.49 118.68 121.93 1x0h s LEU 23 Ca -0.05 2.43 -0.02 0.00 -0.22 0.00 0.00 54.13 56.27 1x0h s LEU 23 Cb 0.01 -3.85 -0.01 0.00 0.50 0.00 0.00 46.19 42.84 1x0h s LEU 23 CO 0.17 -0.55 -0.04 0.18 -1.32 0.00 0.00 176.35 174.79 1x0h n LEU 24 N 0.46 0.28 -4.00 -0.68 4.77 -0.59 -4.46 117.00 112.78 1x0h n LEU 24 Ca 0.02 0.05 -0.12 0.00 -0.03 0.00 0.00 56.01 55.93 1x0h n LEU 24 Cb 0.45 -0.40 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 1x0h n LEU 24 CO 0.54 -0.49 0.23 -1.61 -1.33 0.00 0.00 177.39 174.73 1x0h s GLU 25 N -1.27 1.88 -0.14 3.23 2.02 -1.20 -5.03 118.70 118.18 1x0h s GLU 25 Ca -0.03 -1.55 -0.04 0.00 0.02 0.00 0.00 54.97 53.37 1x0h s GLU 25 Cb 0.00 0.49 0.05 0.00 0.10 0.00 0.00 34.13 34.78 1x0h s GLU 25 CO 0.05 -0.80 0.07 0.42 0.02 0.00 0.00 175.26 175.02 1x0h s ILE 26 N -3.18 0.02 -1.02 -1.63 1.01 -1.26 -0.12 121.20 115.01 1x0h s ILE 26 Ca 0.25 -0.07 -0.13 0.00 0.00 0.00 0.00 60.65 60.70 1x0h s ILE 26 Cb -0.01 -0.54 -0.08 0.00 0.01 0.00 0.00 42.46 41.83 1x0h s ILE 26 CO 0.15 -0.14 2.16 -0.62 0.00 0.00 0.00 174.94 176.49 1x0h n GLU 27 N 5.24 2.18 0.00 2.79 -0.58 -0.66 -2.93 120.64 126.68 1x0h n GLU 27 Ca -0.06 -1.84 0.00 0.00 -0.42 0.00 0.00 57.16 54.84 1x0h n GLU 27 Cb 0.49 -2.77 0.00 0.00 -0.57 0.00 0.00 31.44 28.59 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 5.54 0.00 -4.74 1.62 2.03 -1.26 -4.83 116.55 114.91 1x0h n ASP 28 Ca 0.51 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 55.58 1x0h n ASP 28 Cb 0.27 0.03 -0.07 0.00 -0.72 0.00 0.00 41.12 40.63 1x0h n ASP 28 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1x0h s LEU 29 N -2.87 3.14 0.00 -2.67 1.43 -1.15 -5.15 118.68 111.41 1x0h s LEU 29 Ca 0.00 -1.04 -0.00 0.00 -1.03 0.00 0.00 54.13 52.06 1x0h s LEU 29 Cb 0.00 -1.49 0.02 0.00 0.03 0.00 0.00 46.19 44.76 1x0h s LEU 29 CO 0.00 -0.52 0.16 0.00 0.23 0.00 0.00 176.35 176.22 1x0h n GLN 30 N -1.23 0.50 0.03 1.70 6.02 -1.26 -4.57 117.38 118.56 1x0h n GLN 30 Ca -0.01 -0.44 -0.13 0.00 -0.01 0.00 0.00 57.00 56.41 1x0h n GLN 30 Cb 0.64 -0.11 -0.02 0.00 1.02 0.00 0.00 30.24 31.77 1x0h n GLN 30 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1x0h h VAL 31 N -0.42 1.35 0.00 5.09 2.07 -2.01 -3.12 116.25 119.21 1x0h h VAL 31 Ca -0.05 -2.16 -0.04 0.00 0.82 0.00 0.00 66.70 65.27 1x0h h VAL 31 Cb 0.20 2.15 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 1x0h h VAL 31 CO 0.06 0.66 -0.19 -0.55 0.02 0.00 0.00 177.57 177.57 1x0h h ASN 32 N 0.35 0.00 1.19 0.57 -1.07 -2.04 -2.91 115.58 111.66 1x0h h ASN 32 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.32 1x0h h ASN 32 Cb 1.41 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.66 1x0h h ASN 32 CO 0.15 0.19 0.00 1.56 0.07 0.00 0.00 177.43 179.40 1x0h h GLN 33 N 0.00 0.00 -0.88 4.14 4.20 -1.92 -3.21 115.11 117.44 1x0h h GLN 33 Ca -0.00 0.00 0.26 0.00 0.06 0.00 0.00 58.65 58.96 1x0h h GLN 33 Cb 0.86 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.60 1x0h h GLN 33 CO 0.02 0.00 0.75 0.74 -0.67 0.00 0.00 178.83 179.68 1x0h h PHE 34 N 0.00 0.00 0.66 2.96 -1.00 -1.55 -1.46 116.94 116.55 1x0h h PHE 34 Ca 0.00 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.75 1x0h h PHE 34 Cb 0.59 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.14 1x0h h PHE 34 CO 0.00 0.00 -0.45 0.87 -1.61 0.00 0.00 178.31 177.12 1x0h h LYS 35 N 0.00 -1.02 -0.64 1.51 1.57 -1.80 -2.68 116.57 113.52 1x0h h LYS 35 Ca 0.42 0.07 0.03 0.00 -1.87 0.00 0.00 60.65 59.30 1x0h h LYS 35 Cb 1.92 0.23 -0.03 0.00 0.08 0.00 0.00 32.23 34.43 1x0h h LYS 35 CO -0.00 -0.68 0.42 -2.95 -0.57 0.00 0.00 179.45 175.67 1x0h h ASN 36 N -1.05 0.67 -3.95 0.86 7.08 -1.54 -3.43 115.58 114.20 1x0h h ASN 36 Ca -0.08 -0.01 -0.54 0.00 -3.08 0.00 0.00 56.30 52.59 1x0h h ASN 36 Cb 0.86 -0.16 0.11 0.00 -2.08 0.00 0.00 38.32 37.06 1x0h h ASN 36 CO 0.06 0.46 0.78 -0.69 -2.08 0.00 0.00 177.43 175.96 1x0h s VAL 37 N -5.67 2.02 -0.06 6.14 1.01 -1.02 -4.99 120.40 117.83 1x0h s VAL 37 Ca -0.10 0.02 -0.15 0.00 0.00 0.00 0.00 61.98 61.75 1x0h s VAL 37 Cb 0.18 -3.01 0.03 0.00 0.00 0.00 0.00 36.38 33.58 1x0h s VAL 37 CO 0.76 0.00 0.34 -0.51 0.00 0.00 0.00 175.10 175.70 1x0h s ILE 38 N -1.13 0.04 -0.16 2.22 2.07 -1.26 -2.75 121.20 120.23 1x0h s ILE 38 Ca 0.54 -0.30 -0.00 0.00 -1.41 0.00 0.00 60.65 59.48 1x0h s ILE 38 Cb -0.47 -0.60 0.04 0.00 0.13 0.00 0.00 42.46 41.56 1x0h s ILE 38 CO 0.63 -0.16 -0.07 -0.36 -1.91 0.00 0.00 174.94 173.07 1x0h s PHE 39 N -0.82 1.78 -0.23 3.50 0.40 -1.20 -3.97 117.98 117.45 1x0h s PHE 39 Ca -0.09 -1.09 -0.12 0.00 -0.60 0.00 0.00 56.93 55.03 1x0h s PHE 39 Cb -0.04 -1.36 -0.05 0.00 0.51 0.00 0.00 43.02 42.08 1x0h s PHE 39 CO 0.03 -0.62 0.23 -2.00 0.70 0.00 0.00 175.22 173.57 1x0h s GLU 40 N 1.61 4.09 -0.06 0.44 -6.30 0.15 -3.63 118.70 115.00 1x0h s GLU 40 Ca 0.02 -0.13 0.05 0.00 -2.50 0.00 0.00 54.97 52.41 1x0h s GLU 40 Cb -0.15 -3.55 -0.01 0.00 0.00 0.00 0.00 34.13 30.42 1x0h s GLU 40 CO -0.08 0.02 -0.23 0.42 0.02 0.00 0.00 175.26 175.41 1x0h s ILE 41 N 1.18 2.28 -0.13 -3.70 1.01 -1.20 0.70 121.20 121.35 1x0h s ILE 41 Ca 0.11 -0.99 -0.00 0.00 0.00 0.00 0.00 60.65 59.77 1x0h s ILE 41 Cb -0.14 -1.84 -0.02 0.00 0.01 0.00 0.00 42.46 40.47 1x0h s ILE 41 CO 0.06 0.57 -0.13 -0.44 0.00 0.00 0.00 174.94 175.00 1x0h s SER 42 N -0.25 4.02 0.03 3.58 0.01 0.63 -2.58 113.70 119.14 1x0h s SER 42 Ca -0.01 -0.32 -0.30 0.00 1.31 0.00 0.00 55.95 56.63 1x0h s SER 42 Cb -0.13 -1.60 -0.06 0.00 0.21 0.00 0.00 66.02 64.45 1x0h s SER 42 CO 0.03 0.17 1.30 -2.16 0.41 0.00 0.00 173.24 172.99 1x0h s PRO 43 N 0.32 4.35 0.97 12.44 0.04 -1.26 -2.62 135.00 149.24 1x0h s PRO 43 Ca -0.10 1.88 -0.15 0.00 0.04 0.00 0.00 61.00 62.66 1x0h s PRO 43 Cb -0.16 -3.43 0.22 0.00 0.04 0.00 0.00 34.50 31.17 1x0h s PRO 43 CO 0.06 -0.42 1.32 0.25 0.04 0.00 0.00 177.00 178.25 1x0h n THR 44 N 4.27 0.00 0.02 1.26 -2.24 -1.26 -4.98 114.28 111.35 1x0h n THR 44 Ca 0.11 -1.05 -0.16 0.00 -2.27 0.00 0.00 64.05 60.68 1x0h n THR 44 Cb 0.45 -1.44 -0.14 0.00 -2.10 0.00 0.00 70.33 67.09 1x0h n THR 44 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1x0h h GLU 45 N 0.00 0.18 -6.36 -0.78 4.81 -1.96 -3.47 114.58 107.01 1x0h h GLU 45 Ca -0.43 -0.31 -0.55 0.00 -0.13 0.00 0.00 59.36 57.94 1x0h h GLU 45 Cb 1.21 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.67 1x0h h GLU 45 CO 0.31 0.97 -0.15 -2.00 -0.73 0.00 0.00 179.01 177.42 1x0h s GLU 46 N -2.59 3.80 0.19 1.92 2.56 -1.26 -5.06 118.70 118.26 1x0h s GLU 46 Ca -0.12 0.25 -0.30 0.00 0.00 0.00 0.00 54.97 54.80 1x0h s GLU 46 Cb 0.07 -2.74 -0.08 0.00 2.00 0.00 0.00 34.13 33.38 1x0h s GLU 46 CO 0.82 0.38 1.12 0.54 -0.56 0.00 0.00 175.26 177.55 1x0h s VAL 47 N -1.71 3.77 0.00 3.70 0.11 -1.26 -3.48 120.40 121.53 1x0h s VAL 47 Ca 0.44 1.55 0.00 0.00 -2.93 0.00 0.00 61.98 61.04 1x0h s VAL 47 Cb -0.12 -3.99 0.00 0.00 -1.53 0.00 0.00 36.38 30.74 1x0h s VAL 47 CO 0.21 0.28 0.00 0.61 -3.33 0.00 0.00 175.10 172.87 1x0h n GLY 48 N 1.97 2.99 3.78 6.54 0.00 -1.26 -5.05 105.19 114.16 1x0h n GLY 48 Ca 0.03 -0.80 -0.35 0.00 0.00 0.00 0.00 46.02 44.89 1x0h n GLY 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x0h s ASP 49 N 0.08 6.01 -0.09 1.61 1.01 -1.23 -3.72 116.67 120.34 1x0h s ASP 49 Ca 0.00 2.10 -0.04 0.00 0.71 0.00 0.00 52.55 55.32 1x0h s ASP 49 Cb 0.00 -2.58 0.04 0.00 1.01 0.00 0.00 42.92 41.40 1x0h s ASP 49 CO 0.00 -1.02 0.20 -0.36 0.21 0.00 0.00 175.17 174.21 1x0h s PHE 50 N -1.82 -0.26 -0.46 4.23 0.08 -0.61 -4.46 117.98 114.67 1x0h s PHE 50 Ca 0.70 0.67 -0.15 0.00 0.12 0.00 0.00 56.93 58.27 1x0h s PHE 50 Cb -0.22 -0.02 0.07 0.00 -0.57 0.00 0.00 43.02 42.28 1x0h s PHE 50 CO 0.25 -0.22 0.38 -2.00 -0.10 0.00 0.00 175.22 173.53 1x0h s GLU 51 N 1.34 2.94 -0.23 0.44 2.56 -1.08 -0.62 118.70 124.06 1x0h s GLU 51 Ca -0.08 -1.34 -0.10 0.00 0.00 0.00 0.00 54.97 53.45 1x0h s GLU 51 Cb -0.11 -4.09 -0.05 0.00 2.00 0.00 0.00 34.13 31.88 1x0h s GLU 51 CO -0.07 -1.01 0.14 0.08 -0.56 0.00 0.00 175.26 173.84 1x0h s VAL 52 N 1.62 5.27 0.06 3.70 1.01 0.13 -0.27 120.40 131.93 1x0h s VAL 52 Ca 0.04 0.14 0.06 0.00 0.00 0.00 0.00 61.98 62.22 1x0h s VAL 52 Cb -0.24 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 1x0h s VAL 52 CO 0.06 0.38 -0.16 -0.75 0.00 0.00 0.00 175.10 174.63 1x0h s LYS 53 N 0.88 0.98 -0.46 2.72 2.20 0.22 -0.83 119.74 125.44 1x0h s LYS 53 Ca 0.07 -0.94 -0.08 0.00 -0.36 0.00 0.00 55.97 54.66 1x0h s LYS 53 Cb -0.13 -1.06 0.12 0.00 -1.51 0.00 0.00 37.83 35.25 1x0h s LYS 53 CO 0.03 0.25 0.33 0.00 -0.36 0.00 0.00 175.35 175.59 1x0h s ALA 54 N -1.06 3.36 -0.15 3.13 0.00 -1.26 -0.67 121.76 125.11 1x0h s ALA 54 Ca 0.02 -2.52 -0.29 0.00 0.00 0.00 0.00 51.96 49.17 1x0h s ALA 54 Cb -0.09 -2.77 -0.04 0.00 0.00 0.00 0.00 23.12 20.22 1x0h s ALA 54 CO 0.02 -1.88 1.67 0.15 0.00 0.00 0.00 175.76 175.72 1x0h s LYS 55 N 1.34 3.92 0.29 0.00 1.02 -1.25 -4.55 119.74 120.50 1x0h s LYS 55 Ca 0.06 1.91 0.00 0.00 0.02 0.00 0.00 55.97 57.96 1x0h s LYS 55 Cb -0.26 -4.04 0.00 0.00 -0.52 0.00 0.00 37.83 33.02 1x0h s LYS 55 CO -0.01 -1.16 0.00 0.34 -0.92 0.00 0.00 175.35 173.61 1x0h n PHE 56 N 8.09 -3.78 -0.03 3.18 7.35 -1.26 -4.68 117.46 126.33 1x0h n PHE 56 Ca 0.19 1.01 -0.07 0.00 -0.76 0.00 0.00 57.45 57.82 1x0h n PHE 56 Cb 0.44 2.69 -0.02 0.00 0.35 0.00 0.00 39.48 42.93 1x0h n PHE 56 CO 0.00 0.00 0.00 -0.12 -0.76 0.00 0.00 176.76 175.88 1x0h n MET 57 N -3.10 0.28 -1.77 -4.13 1.56 -1.26 -5.07 117.12 103.62 1x0h n MET 57 Ca 0.00 0.11 0.00 0.00 -0.27 0.00 0.00 57.70 57.54 1x0h n MET 57 Cb 0.00 -0.98 0.00 0.00 2.15 0.00 0.00 33.22 34.39 1x0h n MET 57 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1x0h n GLY 58 N 2.39 0.69 3.62 -5.12 0.00 -1.26 -5.05 105.19 100.45 1x0h n GLY 58 Ca -0.12 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.06 1x0h n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x0h s VAL 59 N -2.69 5.17 0.55 1.61 0.11 -1.26 -4.92 120.40 118.98 1x0h s VAL 59 Ca 0.00 0.64 0.00 0.00 -2.93 0.00 0.00 61.98 59.69 1x0h s VAL 59 Cb 0.00 -3.72 0.00 0.00 -1.53 0.00 0.00 36.38 31.13 1x0h s VAL 59 CO 0.00 0.17 0.00 1.67 -3.33 0.00 0.00 175.10 173.61 1x0h n GLN 60 N 5.18 -3.71 -2.11 1.54 -0.06 -1.26 -4.52 117.38 112.44 1x0h n GLN 60 Ca -0.08 2.90 -0.32 0.00 -2.00 0.00 0.00 57.00 57.51 1x0h n GLN 60 Cb 0.51 -3.70 -0.04 0.00 -4.06 0.00 0.00 30.24 22.94 1x0h n GLN 60 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1x0h s MET 61 N -5.15 2.68 -0.09 3.69 0.23 -1.26 -4.91 119.30 114.49 1x0h s MET 61 Ca 0.00 -0.11 -0.02 0.00 -1.03 0.00 0.00 55.69 54.54 1x0h s MET 61 Cb 0.00 -4.87 0.03 0.00 -1.53 0.00 0.00 34.83 28.46 1x0h s MET 61 CO 0.00 -3.06 0.01 -1.21 -2.03 0.00 0.00 175.02 168.73 1x0h s GLU 62 N 6.81 0.61 -0.04 3.16 0.41 -1.26 -5.13 118.70 123.26 1x0h s GLU 62 Ca 0.66 0.04 0.03 0.00 -0.41 0.00 0.00 54.97 55.29 1x0h s GLU 62 Cb -0.08 -1.13 0.00 0.00 -1.78 0.00 0.00 34.13 31.14 1x0h s GLU 62 CO 0.05 -0.35 -0.13 0.99 -0.49 0.00 0.00 175.26 175.33 1x0h s THR 63 N 1.96 1.10 0.02 3.63 2.01 -1.26 -4.92 115.64 118.18 1x0h s THR 63 Ca 0.04 -0.52 -0.30 0.00 0.31 0.00 0.00 61.69 61.22 1x0h s THR 63 Cb -0.13 -0.96 -0.04 0.00 0.01 0.00 0.00 72.50 71.38 1x0h s THR 63 CO -0.06 0.33 1.13 0.12 -0.69 0.00 0.00 174.62 175.45 1x0h s PHE 64 N 0.17 3.47 -0.07 4.92 5.36 -0.01 -4.94 117.98 126.89 1x0h s PHE 64 Ca -0.04 1.42 -0.18 0.00 -0.96 0.00 0.00 56.93 57.17 1x0h s PHE 64 Cb -0.11 -3.32 -0.05 0.00 -0.34 0.00 0.00 43.02 39.20 1x0h s PHE 64 CO 0.01 -0.87 0.48 -1.64 -1.46 0.00 0.00 175.22 171.74 1x0h s MET 65 N 1.24 4.23 -0.30 10.12 -1.94 -1.26 -0.69 119.30 130.70 1x0h s MET 65 Ca 0.56 0.49 -0.00 0.00 -1.71 0.00 0.00 55.69 55.03 1x0h s MET 65 Cb -0.26 -3.36 0.09 0.00 2.01 0.00 0.00 34.83 33.31 1x0h s MET 65 CO 0.27 0.34 0.07 -1.17 -0.01 0.00 0.00 175.02 174.52 1x0h s LEU 66 N 0.02 2.60 0.82 -0.03 2.96 0.21 -4.92 118.68 120.34 1x0h s LEU 66 Ca 0.26 -1.62 -0.09 0.00 -0.22 0.00 0.00 54.13 52.46 1x0h s LEU 66 Cb -0.16 -1.00 0.13 0.00 0.50 0.00 0.00 46.19 45.66 1x0h s LEU 66 CO 0.12 -0.38 1.15 -1.00 -1.32 0.00 0.00 176.35 174.92 1x0h s HIS 67 N 1.50 2.08 -0.09 5.38 3.76 -1.26 -1.58 115.29 125.08 1x0h s HIS 67 Ca 0.08 0.25 0.11 0.00 -0.15 0.00 0.00 55.06 55.34 1x0h s HIS 67 Cb -0.18 -3.54 -0.24 0.00 1.11 0.00 0.00 32.58 29.74 1x0h s HIS 67 CO -0.19 -2.01 0.48 0.98 -0.85 0.00 0.00 174.74 173.15 1x0h n TYR 68 N -3.27 0.81 -0.21 1.40 9.36 -1.24 -3.97 117.16 120.04 1x0h n TYR 68 Ca 0.12 0.27 -0.06 0.00 3.32 0.00 0.00 57.90 61.55 1x0h n TYR 68 Cb 0.60 -1.14 0.03 0.00 -0.63 0.00 0.00 39.34 38.20 1x0h n TYR 68 CO 0.00 0.00 0.00 1.96 0.22 0.00 0.00 176.86 179.04 1x0h h GLN 69 N 0.01 0.78 -0.72 2.98 4.20 -1.95 -0.39 115.11 120.03 1x0h h GLN 69 Ca -0.36 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.28 1x0h h GLN 69 Cb 2.06 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 29.63 1x0h h GLN 69 CO 0.07 0.53 0.38 -0.44 -0.67 0.00 0.00 178.83 178.70 1x0h h ASP 70 N 0.80 0.90 -0.42 1.46 3.32 -1.99 0.20 116.42 120.69 1x0h h ASP 70 Ca 0.22 -0.10 -0.06 0.00 0.02 0.00 0.00 57.03 57.10 1x0h h ASP 70 Cb -0.07 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 1x0h h ASP 70 CO -0.04 0.75 0.04 -0.07 -1.72 0.00 0.00 179.24 178.19 1x0h h LEU 71 N 0.99 0.69 -0.90 1.55 3.38 -1.59 -2.88 115.31 116.56 1x0h h LEU 71 Ca 0.25 -0.28 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 1x0h h LEU 71 Cb 0.05 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1x0h h LEU 71 CO -0.04 0.80 -0.45 -0.07 0.09 0.00 0.00 178.44 178.78 1x0h h LEU 72 N 0.56 0.24 -1.80 1.67 3.38 -0.82 -2.85 115.31 115.70 1x0h h LEU 72 Ca 0.12 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1x0h h LEU 72 Cb 0.42 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1x0h h LEU 72 CO 0.01 0.66 0.11 -0.61 0.09 0.00 0.00 178.44 178.70 1x0h h GLN 73 N 0.19 0.24 -0.26 1.13 -0.00 -0.40 -1.57 115.11 114.43 1x0h h GLN 73 Ca 0.01 -0.02 -0.19 0.00 -0.00 0.00 0.00 58.65 58.46 1x0h h GLN 73 Cb 0.87 -0.05 0.00 0.00 0.00 0.00 0.00 27.48 28.29 1x0h h GLN 73 CO 0.07 0.17 -0.56 -0.07 0.00 0.00 0.00 178.83 178.43 1x0h h LEU 74 N 0.24 0.95 -1.14 -2.39 3.38 -1.36 -2.54 115.31 112.47 1x0h h LEU 74 Ca 0.06 -0.55 -0.09 0.00 0.09 0.00 0.00 57.88 57.40 1x0h h LEU 74 Cb -0.01 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1x0h h LEU 74 CO -0.01 1.32 -0.35 -0.61 0.09 0.00 0.00 178.44 178.88 1x0h h GLN 75 N 0.62 0.14 -0.25 1.13 5.75 -1.37 0.90 115.11 122.03 1x0h h GLN 75 Ca 0.00 -0.05 -0.16 0.00 -0.15 0.00 0.00 58.65 58.29 1x0h h GLN 75 Cb 1.18 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.72 1x0h h GLN 75 CO 0.12 0.48 -0.48 -0.92 -2.65 0.00 0.00 178.83 175.39 1x0h h TYR 76 N 0.12 0.95 0.00 3.99 5.03 -1.24 -3.38 116.97 122.44 1x0h h TYR 76 Ca 0.01 -0.34 -0.00 0.00 2.58 0.00 0.00 58.73 60.98 1x0h h TYR 76 Cb 0.69 -0.18 0.00 0.00 1.55 0.00 0.00 36.73 38.79 1x0h h TYR 76 CO 0.01 1.14 -0.00 0.93 -1.32 0.00 0.00 178.16 178.92 1x0h h GLU 77 N 0.49 -0.00 0.00 1.82 5.08 -1.30 -3.49 114.58 117.18 1x0h h GLU 77 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1x0h h GLU 77 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1x0h h GLU 77 CO 0.11 -0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.52 1x0h n GLY 78 N 1.85 0.00 2.99 -3.84 0.00 0.14 -5.10 105.19 101.23 1x0h n GLY 78 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 2.99 0.25 1.61 1.01 -0.23 -4.92 120.40 121.12 1x0h s VAL 79 Ca 0.00 -3.39 0.05 0.00 0.00 0.00 0.00 61.98 58.65 1x0h s VAL 79 Cb 0.00 -3.01 -0.02 0.00 0.00 0.00 0.00 36.38 33.35 1x0h s VAL 79 CO 0.00 -0.86 1.60 0.00 0.00 0.00 0.00 175.10 175.84 1x0h h ALA 80 N 6.46 0.93 -2.95 5.51 0.00 -1.96 -3.42 119.26 123.84 1x0h h ALA 80 Ca -0.02 -0.51 -0.61 0.00 0.00 0.00 0.00 54.91 53.77 1x0h h ALA 80 Cb 0.88 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.50 1x0h h ALA 80 CO 0.71 0.69 -0.34 0.08 0.00 0.00 0.00 179.25 180.39 1x0h s VAL 81 N -3.85 5.30 0.23 0.00 1.01 -1.26 -0.13 120.40 121.68 1x0h s VAL 81 Ca -0.04 0.52 0.08 0.00 0.00 0.00 0.00 61.98 62.54 1x0h s VAL 81 Cb 0.12 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 1x0h s VAL 81 CO 0.79 0.47 0.07 -0.32 0.00 0.00 0.00 175.10 176.11 1x0h s MET 82 N -0.10 2.59 -0.47 2.72 1.75 0.13 -4.93 119.30 120.99 1x0h s MET 82 Ca 0.17 -1.16 -0.03 0.00 -1.25 0.00 0.00 55.69 53.41 1x0h s MET 82 Cb -0.13 -2.39 0.12 0.00 2.84 0.00 0.00 34.83 35.27 1x0h s MET 82 CO 0.05 0.41 0.28 0.21 -0.65 0.00 0.00 175.02 175.33 1x0h s LYS 83 N -3.47 2.19 -0.22 4.11 2.47 -1.26 -2.79 119.74 120.77 1x0h s LYS 83 Ca 0.31 -2.01 -0.12 0.00 -1.56 0.00 0.00 55.97 52.59 1x0h s LYS 83 Cb -0.08 -3.65 -0.05 0.00 -1.46 0.00 0.00 37.83 32.59 1x0h s LYS 83 CO 0.21 -1.11 0.24 -0.51 0.16 0.00 0.00 175.35 174.34 1x0h s LEU 84 N 0.84 4.15 -1.63 5.43 1.43 0.14 -4.23 118.68 124.81 1x0h s LEU 84 Ca 0.10 0.28 -0.02 0.00 -1.03 0.00 0.00 54.13 53.46 1x0h s LEU 84 Cb -0.22 -2.25 0.00 0.00 0.03 0.00 0.00 46.19 43.75 1x0h s LEU 84 CO -0.04 0.04 0.21 0.49 0.23 0.00 0.00 176.35 177.28 1x0h n PHE 85 N 4.20 -1.29 -2.74 0.29 3.72 -1.26 -0.91 117.46 119.47 1x0h n PHE 85 Ca -0.13 0.18 -0.09 0.00 -0.05 0.00 0.00 57.45 57.36 1x0h n PHE 85 Cb 0.52 -4.03 -0.01 0.00 -0.94 0.00 0.00 39.48 35.02 1x0h n PHE 85 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1x0h n ASP 86 N -1.99 -2.13 0.06 4.37 5.75 -1.26 -4.44 116.55 116.90 1x0h n ASP 86 Ca -0.19 0.18 0.00 0.00 -0.01 0.00 0.00 54.79 54.77 1x0h n ASP 86 Cb 0.66 -1.89 0.00 0.00 -1.03 0.00 0.00 41.12 38.86 1x0h n ASP 86 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1x0h n ARG 87 N -2.84 0.00 -2.19 0.11 1.74 -0.94 -4.98 116.66 107.56 1x0h n ARG 87 Ca -0.03 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.65 1x0h n ARG 87 Cb 0.53 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.95 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 -1.55 3.42 -0.04 7.54 0.00 -0.08 -1.66 121.76 129.38 1x0h s ALA 88 Ca 0.00 1.17 0.06 0.00 0.00 0.00 0.00 51.96 53.19 1x0h s ALA 88 Cb 0.00 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.66 1x0h s ALA 88 CO 0.00 -0.57 -0.24 0.15 0.00 0.00 0.00 175.76 175.10 1x0h s LYS 89 N -1.85 2.39 0.17 0.00 1.02 0.82 0.28 119.74 122.57 1x0h s LYS 89 Ca 0.50 -0.88 0.07 0.00 0.02 0.00 0.00 55.97 55.67 1x0h s LYS 89 Cb -0.37 -2.16 -0.04 0.00 -0.52 0.00 0.00 37.83 34.74 1x0h s LYS 89 CO 0.49 0.48 -0.13 0.08 -0.92 0.00 0.00 175.35 175.35 1x0h s VAL 90 N -0.41 1.51 -0.33 3.17 1.01 -1.12 -1.54 120.40 122.69 1x0h s VAL 90 Ca 0.04 -2.05 -0.19 0.00 0.00 0.00 0.00 61.98 59.77 1x0h s VAL 90 Cb -0.12 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 1x0h s VAL 90 CO 0.01 -0.58 0.57 0.21 0.00 0.00 0.00 175.10 175.31 1x0h s ASN 91 N -3.06 6.40 0.38 3.32 2.47 0.18 -0.69 114.94 123.94 1x0h s ASN 91 Ca 0.18 0.18 0.16 0.00 0.42 0.00 0.00 52.86 53.80 1x0h s ASN 91 Cb -0.01 -2.30 0.75 0.00 -1.45 0.00 0.00 41.25 38.24 1x0h s ASN 91 CO 0.04 -0.49 1.80 0.58 -3.72 0.00 0.00 177.10 175.32 1x0h h VAL 92 N 5.59 1.08 0.00 -5.21 2.07 -0.82 0.89 116.25 119.86 1x0h h VAL 92 Ca -0.27 -1.37 -0.06 0.00 0.82 0.00 0.00 66.70 65.81 1x0h h VAL 92 Cb 1.12 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 32.66 1x0h h VAL 92 CO 0.79 0.37 -0.29 0.78 0.02 0.00 0.00 177.57 179.24 1x0h h ASN 93 N 0.00 0.00 0.00 0.57 4.21 -1.91 -2.92 115.58 115.53 1x0h h ASN 93 Ca -0.00 0.00 -0.22 0.00 1.21 0.00 0.00 56.30 57.29 1x0h h ASN 93 Cb 0.75 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.91 1x0h h ASN 93 CO 0.05 0.29 -1.86 0.18 -1.29 0.00 0.00 177.43 174.80 1x0h n LEU 94 N -4.12 0.00 -0.36 1.61 4.77 -1.05 -4.25 117.00 113.61 1x0h n LEU 94 Ca -0.02 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.97 1x0h n LEU 94 Cb 0.34 0.30 0.16 0.00 -2.33 0.00 0.00 43.42 41.88 1x0h n LEU 94 CO 0.37 0.30 1.25 0.25 -1.33 0.00 0.00 177.39 178.23 1x0h h LEU 95 N 0.00 1.01 -0.13 2.23 5.85 0.81 -1.16 115.31 123.92 1x0h h LEU 95 Ca -0.33 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.23 1x0h h LEU 95 Cb 1.73 -0.21 0.01 0.00 0.37 0.00 0.00 40.66 42.55 1x0h h LEU 95 CO 0.02 0.66 -0.56 0.40 -0.34 0.00 0.00 178.44 178.61 1x0h h ILE 96 N 1.16 1.34 -0.47 4.05 2.04 -1.74 -2.97 117.51 120.92 1x0h h ILE 96 Ca 0.41 -1.84 0.04 0.00 1.00 0.00 0.00 64.86 64.47 1x0h h ILE 96 Cb 0.11 2.08 -0.04 0.00 -0.74 0.00 0.00 36.82 38.24 1x0h h ILE 96 CO -0.16 0.56 0.25 0.15 0.00 0.00 0.00 178.15 178.95 1x0h h PHE 97 N 0.27 0.45 0.69 1.37 3.57 -1.64 0.82 116.94 122.47 1x0h h PHE 97 Ca -0.03 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.45 1x0h h PHE 97 Cb 1.20 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.81 1x0h h PHE 97 CO 0.10 0.23 -0.36 1.25 -2.23 0.00 0.00 178.31 177.31 1x0h h LEU 98 N 0.49 -0.87 -2.30 0.59 5.85 -1.28 -2.44 115.31 115.35 1x0h h LEU 98 Ca 0.20 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.97 1x0h h LEU 98 Cb 0.09 0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.36 1x0h h LEU 98 CO -0.13 -0.59 0.03 -0.07 -0.34 0.00 0.00 178.44 177.34 1x0h h LEU 99 N -0.97 0.00 -2.34 2.25 3.38 -1.38 0.10 115.31 116.36 1x0h h LEU 99 Ca -0.09 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1x0h h LEU 99 Cb 0.76 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 1x0h h LEU 99 CO 0.13 0.00 0.02 -1.13 0.09 0.00 0.00 178.44 177.55 1x0h h ASN 100 N 0.00 0.00 0.00 -0.43 -0.73 -0.32 -1.92 115.58 112.18 1x0h h ASN 100 Ca 0.02 0.00 -0.16 0.00 1.87 0.00 0.00 56.30 58.03 1x0h h ASN 100 Cb 0.08 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.64 1x0h h ASN 100 CO -0.00 0.00 -1.59 0.29 -0.37 0.00 0.00 177.43 175.76 1x0h n LYS 101 N -4.02 2.12 0.00 6.67 5.02 -0.46 -4.14 118.16 123.35 1x0h n LYS 101 Ca -0.03 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1x0h n LYS 101 Cb 0.11 -1.22 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 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 -2.42 0.00 0.01 1.97 4.76 0.24 -4.37 118.16 118.36 1x0h n LYS 102 Ca -0.15 0.19 -0.19 0.00 -2.87 0.00 0.00 58.31 55.28 1x0h n LYS 102 Cb 0.76 -1.17 -0.14 0.00 -1.84 0.00 0.00 35.03 32.64 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 0.41 -1.73 2.13 0.04 -1.76 -3.44 116.94 112.58 1x0h h PHE 103 Ca 0.00 -0.30 -0.57 0.00 2.80 0.00 0.00 57.97 59.90 1x0h h PHE 103 Cb 0.00 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 38.13 1x0h h PHE 103 CO 0.08 1.32 1.52 0.66 -0.60 0.00 0.00 178.31 181.30 1x0h n TYR 104 N -4.18 1.76 -2.32 -0.55 4.02 -0.74 -4.76 117.16 110.39 1x0h n TYR 104 Ca -0.16 -0.01 0.03 0.00 -0.01 0.00 0.00 57.90 57.76 1x0h n TYR 104 Cb 0.78 -2.67 0.03 0.00 -0.02 0.00 0.00 39.34 37.45 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 5.96 1.26 3.63 2.72 0.00 -1.26 -4.23 105.19 113.27 1x0h n GLY 105 Ca 0.34 -0.73 -0.38 0.00 0.00 0.00 0.00 46.02 45.26 1x0h n GLY 105 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x0h s LYS 106 N -0.27 4.03 -0.28 1.61 -0.14 -1.26 -5.04 119.74 118.38 1x0h s LYS 106 Ca 0.28 -0.18 0.01 0.00 -1.36 0.00 0.00 55.97 54.72 1x0h s LYS 106 Cb 0.31 -3.60 0.17 0.00 -1.68 0.00 0.00 37.83 33.03 1x0h s LYS 106 CO -0.13 -0.10 0.51 -1.12 -0.76 0.00 0.00 175.35 173.75 1x0h s SER 107 N 1.42 -0.72 0.00 2.83 0.01 -1.26 -5.14 113.70 110.84 1x0h s SER 107 Ca 0.10 0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.62 1x0h s SER 107 Cb -0.15 1.67 0.00 0.00 0.21 0.00 0.00 66.02 67.76 1x0h s SER 107 CO 0.08 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.04 1x0h n GLY 108 N 5.40 -2.51 3.77 3.44 0.00 -1.26 -5.01 105.19 109.02 1x0h n GLY 108 Ca 0.01 -2.11 -0.34 0.00 0.00 0.00 0.00 46.02 43.58 1x0h n GLY 108 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x0h s PRO 109 N -0.42 3.02 0.00 1.61 0.04 -1.26 -4.94 135.00 133.05 1x0h s PRO 109 Ca 0.00 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.50 1x0h s PRO 109 Cb 0.00 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1x0h s PRO 109 CO 0.00 -1.09 0.00 -1.13 0.04 0.00 0.00 177.00 174.82 1x0h n SER 110 N -2.00 0.00 -4.79 6.66 3.41 -1.26 -5.13 113.62 110.50 1x0h n SER 110 Ca 0.11 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.49 1x0h n SER 110 Cb 0.52 0.27 -0.05 0.00 -0.26 0.00 0.00 64.21 64.69 1x0h n SER 110 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1x0h s SER 111 N -3.09 5.38 0.00 4.04 1.04 -1.26 -5.28 113.70 114.53 1x0h s SER 111 Ca 0.00 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.15 1x0h s SER 111 Cb 0.00 -1.33 0.00 0.00 0.10 0.00 0.00 66.02 64.79 1x0h s SER 111 CO 0.00 -0.01 0.46 0.61 0.98 0.00 0.00 173.24 175.29