#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 1.69 -0.03 1.61 2.88 -1.26 -4.87 113.62 113.65 1x0h n SER 2 Ca 0.00 -2.90 -0.02 0.00 -1.33 0.00 0.00 58.87 54.61 1x0h n SER 2 Cb 0.00 -0.41 -0.01 0.00 -0.75 0.00 0.00 64.21 63.04 1x0h n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x0h n SER 3 N -0.35 0.55 0.00 -3.46 2.88 -1.26 -5.11 113.62 106.88 1x0h n SER 3 Ca 0.15 0.11 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 1x0h n SER 3 Cb 0.92 -0.57 0.00 0.00 -0.75 0.00 0.00 64.21 63.81 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 1.50 -2.50 3.31 0.46 0.00 -1.26 -5.12 105.19 101.58 1x0h n GLY 4 Ca -0.04 0.80 -0.02 0.00 0.00 0.00 0.00 46.02 46.76 1x0h n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x0h s SER 5 N -3.74 -0.87 0.50 1.61 1.04 -1.26 -5.16 113.70 105.82 1x0h s SER 5 Ca 0.00 1.04 -0.15 0.00 0.48 0.00 0.00 55.95 57.32 1x0h s SER 5 Cb 0.00 1.92 -0.07 0.00 0.10 0.00 0.00 66.02 67.97 1x0h s SER 5 CO 0.00 -0.25 0.95 -0.55 0.98 0.00 0.00 173.24 174.37 1x0h s SER 6 N 2.79 6.59 0.00 7.02 0.15 -1.26 -5.01 113.70 123.97 1x0h s SER 6 Ca 0.07 1.48 0.00 0.00 0.70 0.00 0.00 55.95 58.20 1x0h s SER 6 Cb -0.14 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1x0h s SER 6 CO -0.18 -0.57 0.00 0.61 1.20 0.00 0.00 173.24 174.30 1x0h n GLY 7 N -1.59 5.53 2.94 9.45 0.00 -1.26 -5.17 105.19 115.09 1x0h n GLY 7 Ca 0.06 -1.11 -0.15 0.00 0.00 0.00 0.00 46.02 44.82 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 1.79 0.34 0.51 -0.61 -5.25 -1.26 -5.15 121.20 111.57 1x0h s ILE 8 Ca 0.00 -0.18 -0.16 0.00 -0.99 0.00 0.00 60.65 59.32 1x0h s ILE 8 Cb 0.00 -0.29 -0.07 0.00 2.95 0.00 0.00 42.46 45.05 1x0h s ILE 8 CO 0.00 0.10 0.97 -0.94 -1.79 0.00 0.00 174.94 173.28 1x0h s SER 9 N -0.10 6.59 -0.02 4.36 1.04 -1.26 -4.77 113.70 119.53 1x0h s SER 9 Ca 0.02 1.52 -0.02 0.00 0.48 0.00 0.00 55.95 57.95 1x0h s SER 9 Cb -0.02 -2.49 -0.04 0.00 0.10 0.00 0.00 66.02 63.57 1x0h s SER 9 CO -0.00 -0.59 0.12 -0.76 0.98 0.00 0.00 173.24 172.99 1x0h s LEU 10 N -4.14 4.11 -0.18 2.42 1.43 -1.10 -5.03 118.68 116.19 1x0h s LEU 10 Ca 0.58 0.25 -0.02 0.00 -1.03 0.00 0.00 54.13 53.92 1x0h s LEU 10 Cb -0.10 -2.35 0.05 0.00 0.03 0.00 0.00 46.19 43.82 1x0h s LEU 10 CO 0.33 0.29 0.00 -0.54 0.23 0.00 0.00 176.35 176.66 1x0h s LYS 11 N -1.69 0.92 0.13 1.70 -0.14 -1.26 -2.99 119.74 116.41 1x0h s LYS 11 Ca 0.23 -0.45 0.02 0.00 -1.36 0.00 0.00 55.97 54.41 1x0h s LYS 11 Cb -0.12 -2.02 -0.04 0.00 -1.68 0.00 0.00 37.83 33.97 1x0h s LYS 11 CO 0.14 -0.56 -0.04 0.71 -0.76 0.00 0.00 175.35 174.84 1x0h s TYR 12 N 1.77 1.03 0.29 3.18 2.02 -1.07 -5.02 117.35 119.55 1x0h s TYR 12 Ca -0.01 -0.95 0.11 0.00 -0.37 0.00 0.00 57.07 55.85 1x0h s TYR 12 Cb -0.16 -0.59 -0.05 0.00 -0.40 0.00 0.00 41.96 40.76 1x0h s TYR 12 CO -0.07 -0.17 -0.09 0.95 -1.57 0.00 0.00 175.55 174.60 1x0h s THR 13 N -3.63 2.87 0.18 -0.71 -4.23 -1.26 0.58 115.64 109.44 1x0h s THR 13 Ca 0.17 -2.15 -0.13 0.00 -1.18 0.00 0.00 61.69 58.40 1x0h s THR 13 Cb 0.05 -2.59 0.08 0.00 1.34 0.00 0.00 72.50 71.38 1x0h s THR 13 CO -0.01 -0.36 1.84 0.00 -0.54 0.00 0.00 174.62 175.56 1x0h h ALA 14 N 2.05 0.72 -0.33 3.99 0.00 -1.41 -1.68 119.26 122.60 1x0h h ALA 14 Ca -0.42 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.51 1x0h h ALA 14 Cb 1.25 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1x0h h ALA 14 CO 0.61 0.15 0.23 0.00 0.00 0.00 0.00 179.25 180.24 1x0h h ALA 15 N 1.22 2.05 0.00 0.00 0.00 -1.80 0.12 119.26 120.85 1x0h h ALA 15 Ca 0.21 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1x0h h ALA 15 Cb -0.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1x0h h ALA 15 CO -0.05 -0.12 -0.00 0.00 0.00 0.00 0.00 179.25 179.08 1x0h h ARG 16 N 0.20 -0.00 -0.18 0.00 2.47 -1.68 -3.00 114.38 112.19 1x0h h ARG 16 Ca 0.15 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.85 1x0h h ARG 16 Cb 0.32 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.63 1x0h h ARG 16 CO -0.03 0.71 0.05 -0.07 0.56 0.00 0.00 179.97 181.19 1x0h h LEU 17 N -0.72 0.22 -0.24 3.04 3.38 -0.91 -2.39 115.31 117.69 1x0h h LEU 17 Ca -0.00 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1x0h h LEU 17 Cb 0.71 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1x0h h LEU 17 CO 0.00 0.22 0.06 -0.74 0.09 0.00 0.00 178.44 178.07 1x0h h HIS 18 N 0.25 0.39 -0.66 1.13 2.76 -1.02 -0.90 115.15 117.09 1x0h h HIS 18 Ca 0.06 -0.04 -0.03 0.00 -2.20 0.00 0.00 60.37 58.16 1x0h h HIS 18 Cb 0.09 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 28.90 1x0h h HIS 18 CO 0.00 0.46 0.29 0.93 -1.30 0.00 0.00 177.93 178.31 1x0h h GLU 19 N 0.21 0.96 -0.03 5.26 5.08 -1.31 -2.22 114.58 122.53 1x0h h GLU 19 Ca 0.07 -0.14 -0.11 0.00 -1.00 0.00 0.00 59.36 58.18 1x0h h GLU 19 Cb 0.26 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1x0h h GLU 19 CO -0.00 0.76 -0.49 0.87 -1.00 0.00 0.00 179.01 179.15 1x0h h LYS 20 N 0.95 0.08 0.00 2.33 1.57 -1.25 -3.47 116.57 116.78 1x0h h LYS 20 Ca 0.23 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1x0h h LYS 20 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1x0h h LYS 20 CO -0.02 0.56 0.00 0.41 -0.57 0.00 0.00 179.45 179.82 1x0h n GLY 21 N -0.07 2.39 0.14 3.86 0.00 -0.42 -5.01 105.19 106.07 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 -3.47 1.61 2.07 -1.59 -3.42 116.25 111.45 1x0h h VAL 22 Ca 0.00 0.00 -0.52 0.00 0.82 0.00 0.00 66.70 67.00 1x0h h VAL 22 Cb 0.00 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 29.78 1x0h h VAL 22 CO 0.00 0.00 0.51 -0.22 0.02 0.00 0.00 177.57 177.88 1x0h s LEU 23 N -6.09 4.45 0.00 2.57 2.96 -1.07 -0.66 118.68 120.84 1x0h s LEU 23 Ca -0.05 2.10 0.00 0.00 -0.22 0.00 0.00 54.13 55.96 1x0h s LEU 23 Cb 0.01 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.10 1x0h s LEU 23 CO 0.16 -0.30 0.00 0.18 -1.32 0.00 0.00 176.35 175.07 1x0h n LEU 24 N 2.74 0.01 0.00 -0.68 4.77 -0.26 -4.26 117.00 119.33 1x0h n LEU 24 Ca 0.04 0.18 -0.09 0.00 -0.03 0.00 0.00 56.01 56.11 1x0h n LEU 24 Cb 0.46 -0.49 0.03 0.00 -2.33 0.00 0.00 43.42 41.09 1x0h n LEU 24 CO 0.55 -0.49 0.54 -0.62 -1.33 0.00 0.00 177.39 176.03 1x0h n GLU 25 N -2.31 1.14 -4.76 3.23 1.02 -1.10 -5.02 120.64 112.85 1x0h n GLU 25 Ca 0.00 -2.24 -0.25 0.00 -0.02 0.00 0.00 57.16 54.65 1x0h n GLU 25 Cb 0.00 2.80 -0.15 0.00 -0.02 0.00 0.00 31.44 34.07 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 -2.09 1.42 -0.56 -3.67 1.01 -1.26 -0.39 121.20 115.65 1x0h s ILE 26 Ca 0.16 -0.87 -0.04 0.00 0.00 0.00 0.00 60.65 59.90 1x0h s ILE 26 Cb -0.05 -1.20 0.08 0.00 0.01 0.00 0.00 42.46 41.30 1x0h s ILE 26 CO 0.12 0.32 2.71 -0.62 0.00 0.00 0.00 174.94 177.46 1x0h n GLU 27 N 2.41 2.67 0.00 2.79 1.02 -1.13 -4.12 120.64 124.27 1x0h n GLU 27 Ca -0.16 -2.51 0.00 0.00 -0.02 0.00 0.00 57.16 54.47 1x0h n GLU 27 Cb 0.54 -2.20 0.00 0.00 -0.02 0.00 0.00 31.44 29.76 1x0h n GLU 27 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1x0h n ASP 28 N 0.92 0.00 -4.99 1.62 5.75 -1.26 -4.96 116.55 113.63 1x0h n ASP 28 Ca 0.50 0.00 -0.19 0.00 -0.01 0.00 0.00 54.79 55.09 1x0h n ASP 28 Cb 0.51 0.03 0.01 0.00 -1.03 0.00 0.00 41.12 40.64 1x0h n ASP 28 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1x0h s LEU 29 N -2.93 3.70 0.00 -2.12 1.43 -1.26 -5.13 118.68 112.38 1x0h s LEU 29 Ca 0.00 -0.17 0.05 0.00 -1.03 0.00 0.00 54.13 52.98 1x0h s LEU 29 Cb 0.00 -2.80 0.06 0.00 0.03 0.00 0.00 46.19 43.48 1x0h s LEU 29 CO 0.00 -0.70 0.50 0.00 0.23 0.00 0.00 176.35 176.38 1x0h n GLN 30 N -1.89 0.68 0.09 1.70 6.02 -1.26 -4.49 117.38 118.23 1x0h n GLN 30 Ca 0.04 -1.84 -0.06 0.00 -0.01 0.00 0.00 57.00 55.13 1x0h n GLN 30 Cb 0.59 -0.18 0.07 0.00 1.02 0.00 0.00 30.24 31.73 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 -0.02 1.44 0.00 5.09 2.07 -2.00 -3.09 116.25 119.74 1x0h h VAL 31 Ca -0.17 -2.28 -0.08 0.00 0.82 0.00 0.00 66.70 64.99 1x0h h VAL 31 Cb 0.75 2.22 -0.01 0.00 -1.52 0.00 0.00 31.29 32.72 1x0h h VAL 31 CO 0.23 0.67 -0.38 -0.55 0.02 0.00 0.00 177.57 177.56 1x0h h ASN 32 N 0.13 0.00 1.19 0.57 -1.07 -2.05 -3.08 115.58 111.27 1x0h h ASN 32 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.35 1x0h h ASN 32 Cb 1.28 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.53 1x0h h ASN 32 CO 0.11 0.38 0.00 1.56 0.07 0.00 0.00 177.43 179.55 1x0h h GLN 33 N 0.00 0.00 -0.66 4.14 4.20 -1.93 -3.13 115.11 117.74 1x0h h GLN 33 Ca -0.00 0.00 0.19 0.00 0.06 0.00 0.00 58.65 58.90 1x0h h GLN 33 Cb 1.15 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.90 1x0h h GLN 33 CO 0.05 0.00 0.55 0.74 -0.67 0.00 0.00 178.83 179.50 1x0h h PHE 34 N 0.00 0.00 -0.10 2.96 -1.00 -1.56 0.30 116.94 117.54 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 0.60 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.15 1x0h h PHE 34 CO 0.00 0.00 -0.05 0.87 -1.61 0.00 0.00 178.31 177.52 1x0h h LYS 35 N 0.00 0.15 -1.11 1.51 1.57 -1.78 -2.22 116.57 114.69 1x0h h LYS 35 Ca 0.31 -0.02 -0.57 0.00 -1.87 0.00 0.00 60.65 58.50 1x0h h LYS 35 Cb 1.42 -0.03 -0.26 0.00 0.08 0.00 0.00 32.23 33.44 1x0h h LYS 35 CO -0.00 0.21 0.74 0.27 -0.57 0.00 0.00 179.45 180.10 1x0h n ASN 36 N -4.39 6.85 -3.72 0.86 0.23 0.11 -4.86 115.26 110.33 1x0h n ASN 36 Ca -0.01 -3.59 -0.18 0.00 -0.53 0.00 0.00 54.58 50.28 1x0h n ASN 36 Cb 0.18 -0.97 -0.17 0.00 -2.08 0.00 0.00 39.78 36.75 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 -4.02 -0.09 -0.01 3.53 1.01 -0.84 -5.08 120.40 114.90 1x0h s VAL 37 Ca 0.56 0.33 0.06 0.00 0.00 0.00 0.00 61.98 62.92 1x0h s VAL 37 Cb 0.44 -0.12 -0.01 0.00 0.00 0.00 0.00 36.38 36.69 1x0h s VAL 37 CO 0.01 0.14 -0.18 -0.51 0.00 0.00 0.00 175.10 174.55 1x0h s ILE 38 N 1.65 1.45 -0.19 2.22 2.07 -1.26 -1.63 121.20 125.50 1x0h s ILE 38 Ca -0.02 -0.81 -0.01 0.00 -1.41 0.00 0.00 60.65 58.40 1x0h s ILE 38 Cb -0.12 -1.21 0.01 0.00 0.13 0.00 0.00 42.46 41.27 1x0h s ILE 38 CO -0.03 0.38 -0.14 -0.36 -1.91 0.00 0.00 174.94 172.88 1x0h s PHE 39 N -0.46 2.84 -0.24 3.50 0.08 0.20 -4.76 117.98 119.14 1x0h s PHE 39 Ca 0.07 -1.34 -0.07 0.00 0.12 0.00 0.00 56.93 55.71 1x0h s PHE 39 Cb -0.07 -1.98 -0.03 0.00 -0.57 0.00 0.00 43.02 40.37 1x0h s PHE 39 CO -0.00 -0.68 0.07 -2.00 -0.10 0.00 0.00 175.22 172.50 1x0h s GLU 40 N 1.29 3.69 -0.25 0.44 -6.30 -1.09 -2.59 118.70 113.90 1x0h s GLU 40 Ca 0.04 -0.46 -0.01 0.00 -2.50 0.00 0.00 54.97 52.03 1x0h s GLU 40 Cb -0.14 -3.30 0.03 0.00 0.00 0.00 0.00 34.13 30.72 1x0h s GLU 40 CO -0.08 -0.12 -0.07 0.42 0.02 0.00 0.00 175.26 175.43 1x0h s ILE 41 N 1.43 2.79 -0.34 -3.70 1.01 -1.16 -1.65 121.20 119.58 1x0h s ILE 41 Ca 0.05 -1.06 -0.15 0.00 0.00 0.00 0.00 60.65 59.50 1x0h s ILE 41 Cb -0.15 -2.42 -0.02 0.00 0.01 0.00 0.00 42.46 39.89 1x0h s ILE 41 CO 0.03 0.20 0.34 -0.44 0.00 0.00 0.00 174.94 175.07 1x0h s SER 42 N 1.31 6.16 1.09 3.58 0.01 -0.38 -2.71 113.70 122.76 1x0h s SER 42 Ca -0.00 -0.22 -0.16 0.00 1.31 0.00 0.00 55.95 56.87 1x0h s SER 42 Cb -0.17 -2.19 0.12 0.00 0.21 0.00 0.00 66.02 64.00 1x0h s SER 42 CO -0.05 -0.30 0.26 -2.65 0.41 0.00 0.00 173.24 170.90 1x0h n PRO 43 N 5.33 -1.47 -4.17 12.44 -0.02 -1.26 -3.12 135.00 142.73 1x0h n PRO 43 Ca -0.10 -0.40 -0.17 0.00 -2.02 0.00 0.00 63.50 60.81 1x0h n PRO 43 Cb 0.50 -1.81 -0.12 0.00 -0.02 0.00 0.00 33.50 32.05 1x0h n PRO 43 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1x0h s THR 44 N -2.30 1.04 0.28 3.45 -4.23 -1.26 -4.80 115.64 107.81 1x0h s THR 44 Ca 0.58 -1.39 -0.04 0.00 -1.18 0.00 0.00 61.69 59.66 1x0h s THR 44 Cb -0.16 -1.13 0.25 0.00 1.34 0.00 0.00 72.50 72.81 1x0h s THR 44 CO 0.66 -0.33 1.94 -0.08 -0.54 0.00 0.00 174.62 176.27 1x0h h GLU 45 N 4.09 1.17 -7.31 3.99 4.81 -1.95 -3.43 114.58 115.95 1x0h h GLU 45 Ca -0.39 -0.08 -0.50 0.00 -0.13 0.00 0.00 59.36 58.25 1x0h h GLU 45 Cb 1.19 -0.26 0.06 0.00 0.63 0.00 0.00 28.75 30.38 1x0h h GLU 45 CO 0.44 0.79 0.35 -2.00 -0.73 0.00 0.00 179.01 177.86 1x0h s GLU 46 N -5.95 3.30 -0.09 1.92 2.12 -1.26 -5.07 118.70 113.67 1x0h s GLU 46 Ca -0.12 0.51 -0.05 0.00 0.36 0.00 0.00 54.97 55.66 1x0h s GLU 46 Cb 0.18 -2.12 -0.04 0.00 0.26 0.00 0.00 34.13 32.40 1x0h s GLU 46 CO 0.81 -0.67 0.12 0.54 -0.54 0.00 0.00 175.26 175.51 1x0h s VAL 47 N -3.15 5.25 0.00 3.70 0.11 -1.26 -4.40 120.40 120.64 1x0h s VAL 47 Ca 0.55 0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.64 1x0h s VAL 47 Cb -0.11 -3.30 0.00 0.00 -1.53 0.00 0.00 36.38 31.44 1x0h s VAL 47 CO 0.51 0.56 0.00 0.61 -3.33 0.00 0.00 175.10 173.45 1x0h n GLY 48 N 1.82 2.82 3.91 6.54 0.00 -1.26 -5.05 105.19 113.97 1x0h n GLY 48 Ca -0.18 -0.22 -0.28 0.00 0.00 0.00 0.00 46.02 45.34 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 0.60 6.43 -0.01 1.61 1.11 -1.26 -3.52 116.67 121.63 1x0h s ASP 49 Ca 0.00 0.61 -0.09 0.00 0.18 0.00 0.00 52.55 53.25 1x0h s ASP 49 Cb 0.00 -2.10 0.01 0.00 1.07 0.00 0.00 42.92 41.90 1x0h s ASP 49 CO 0.00 -0.14 0.18 -0.36 1.18 0.00 0.00 175.17 176.03 1x0h s PHE 50 N -2.00 -0.03 -0.28 4.23 0.08 -1.08 -4.59 117.98 114.31 1x0h s PHE 50 Ca 0.42 0.02 -0.05 0.00 0.12 0.00 0.00 56.93 57.44 1x0h s PHE 50 Cb -0.11 -0.00 0.01 0.00 -0.57 0.00 0.00 43.02 42.35 1x0h s PHE 50 CO 0.29 -0.29 0.04 -2.00 -0.10 0.00 0.00 175.22 173.16 1x0h s GLU 51 N -1.22 3.05 -0.03 0.44 2.12 -1.18 -0.31 118.70 121.57 1x0h s GLU 51 Ca -0.13 -0.87 0.02 0.00 0.36 0.00 0.00 54.97 54.35 1x0h s GLU 51 Cb -0.06 -3.25 -0.03 0.00 0.26 0.00 0.00 34.13 31.05 1x0h s GLU 51 CO 0.02 -0.41 -0.05 0.08 -0.54 0.00 0.00 175.26 174.36 1x0h s VAL 52 N 1.45 3.84 -0.22 3.70 1.01 0.16 -1.26 120.40 129.08 1x0h s VAL 52 Ca 0.02 -0.59 -0.03 0.00 0.00 0.00 0.00 61.98 61.38 1x0h s VAL 52 Cb -0.17 -2.64 0.11 0.00 0.00 0.00 0.00 36.38 33.68 1x0h s VAL 52 CO 0.00 0.48 0.26 -0.75 0.00 0.00 0.00 175.10 175.09 1x0h s LYS 53 N -1.18 0.23 -0.27 2.72 2.20 -0.66 -2.17 119.74 120.62 1x0h s LYS 53 Ca 0.16 0.21 -0.03 0.00 -0.36 0.00 0.00 55.97 55.94 1x0h s LYS 53 Cb -0.11 -1.02 0.10 0.00 -1.51 0.00 0.00 37.83 35.29 1x0h s LYS 53 CO 0.05 -0.70 0.16 0.00 -0.36 0.00 0.00 175.35 174.50 1x0h s ALA 54 N 2.36 0.32 0.02 3.13 0.00 -1.26 -2.69 121.76 123.65 1x0h s ALA 54 Ca 0.08 -0.74 -0.24 0.00 0.00 0.00 0.00 51.96 51.06 1x0h s ALA 54 Cb -0.15 -1.41 0.06 0.00 0.00 0.00 0.00 23.12 21.61 1x0h s ALA 54 CO -0.16 -1.56 0.55 0.21 0.00 0.00 0.00 175.76 174.80 1x0h s LYS 55 N 2.17 1.02 -0.43 0.00 2.20 -1.26 -5.04 119.74 118.40 1x0h s LYS 55 Ca 0.08 -0.11 0.04 0.00 -0.36 0.00 0.00 55.97 55.62 1x0h s LYS 55 Cb -0.16 0.47 0.64 0.00 -1.51 0.00 0.00 37.83 37.28 1x0h s LYS 55 CO -0.31 -0.35 1.88 1.19 -0.36 0.00 0.00 175.35 177.40 1x0h n PHE 56 N 0.58 2.94 -2.70 4.03 3.72 -1.26 -4.65 117.46 120.11 1x0h n PHE 56 Ca -0.19 -1.78 -0.00 0.00 -0.05 0.00 0.00 57.45 55.43 1x0h n PHE 56 Cb 0.59 -0.92 0.02 0.00 -0.94 0.00 0.00 39.48 38.24 1x0h n PHE 56 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 176.76 178.12 1x0h s MET 57 N -3.15 0.13 0.14 -1.08 1.75 -1.26 -5.14 119.30 110.69 1x0h s MET 57 Ca 0.55 -0.08 -0.31 0.00 -1.25 0.00 0.00 55.69 54.59 1x0h s MET 57 Cb 0.46 0.00 -0.11 0.00 2.84 0.00 0.00 34.83 38.03 1x0h s MET 57 CO 0.11 -0.17 1.80 0.20 -0.65 0.00 0.00 175.02 176.31 1x0h s GLY 58 N 1.55 1.32 -0.12 2.11 0.00 -1.26 -4.99 107.32 105.94 1x0h s GLY 58 Ca 0.18 1.47 -0.08 0.00 0.00 0.00 0.00 44.72 46.29 1x0h s GLY 58 CO -0.14 3.09 0.30 0.54 0.00 0.00 0.00 173.10 176.89 1x0h s VAL 59 N 2.43 -0.02 0.49 1.40 0.11 -1.26 -5.12 120.40 118.43 1x0h s VAL 59 Ca 0.80 0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.92 1x0h s VAL 59 Cb -0.47 -0.44 0.00 0.00 -1.53 0.00 0.00 36.38 33.94 1x0h s VAL 59 CO 0.35 0.03 0.00 0.00 -3.33 0.00 0.00 175.10 172.15 1x0h n GLN 60 N 3.66 -3.10 -3.53 1.54 1.13 -1.26 -4.65 117.38 111.17 1x0h n GLN 60 Ca -0.19 2.33 -0.41 0.00 -1.94 0.00 0.00 57.00 56.78 1x0h n GLN 60 Cb 0.56 -3.70 -0.06 0.00 0.11 0.00 0.00 30.24 27.14 1x0h n GLN 60 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1x0h s MET 61 N -3.28 2.95 -0.50 -1.09 0.23 -1.26 -4.92 119.30 111.43 1x0h s MET 61 Ca 0.00 -2.35 0.07 0.00 -1.03 0.00 0.00 55.69 52.38 1x0h s MET 61 Cb 0.00 -4.04 0.19 0.00 -1.53 0.00 0.00 34.83 29.45 1x0h s MET 61 CO 0.00 -1.22 0.68 -1.83 -2.03 0.00 0.00 175.02 170.62 1x0h s GLU 62 N 0.31 1.04 0.19 3.16 -1.05 -1.26 -5.14 118.70 115.95 1x0h s GLU 62 Ca 0.15 -1.12 -0.30 0.00 -0.15 0.00 0.00 54.97 53.55 1x0h s GLU 62 Cb -0.18 -0.18 -0.08 0.00 -0.44 0.00 0.00 34.13 33.25 1x0h s GLU 62 CO -0.05 -1.33 0.99 0.99 0.95 0.00 0.00 175.26 176.81 1x0h s THR 63 N 0.85 4.14 0.24 1.83 2.01 -1.26 -5.01 115.64 118.44 1x0h s THR 63 Ca 0.29 1.96 -0.30 0.00 0.31 0.00 0.00 61.69 63.96 1x0h s THR 63 Cb -0.00 -4.25 -0.09 0.00 0.01 0.00 0.00 72.50 68.17 1x0h s THR 63 CO -0.07 0.39 1.33 0.12 -0.69 0.00 0.00 174.62 175.70 1x0h s PHE 64 N -0.63 3.18 -0.31 4.92 5.36 -0.92 -4.87 117.98 124.71 1x0h s PHE 64 Ca 0.45 1.24 -0.04 0.00 -0.96 0.00 0.00 56.93 57.61 1x0h s PHE 64 Cb -0.26 -3.65 0.04 0.00 -0.34 0.00 0.00 43.02 38.81 1x0h s PHE 64 CO 0.32 -1.98 0.04 -1.64 -1.46 0.00 0.00 175.22 170.51 1x0h s MET 65 N -0.54 2.63 -0.57 10.12 -1.94 -1.26 0.37 119.30 128.11 1x0h s MET 65 Ca 0.55 -1.15 -0.26 0.00 -1.71 0.00 0.00 55.69 53.12 1x0h s MET 65 Cb -0.38 -3.28 0.04 0.00 2.01 0.00 0.00 34.83 33.22 1x0h s MET 65 CO 0.42 -0.58 1.07 -1.17 -0.01 0.00 0.00 175.02 174.75 1x0h s LEU 66 N 1.35 3.76 0.76 -0.03 2.96 0.58 -4.90 118.68 123.15 1x0h s LEU 66 Ca -0.02 -0.11 -0.11 0.00 -0.22 0.00 0.00 54.13 53.66 1x0h s LEU 66 Cb -0.19 -3.00 0.05 0.00 0.50 0.00 0.00 46.19 43.55 1x0h s LEU 66 CO 0.00 -1.36 1.09 -1.00 -1.32 0.00 0.00 176.35 173.76 1x0h s HIS 67 N 4.48 2.99 -0.11 5.38 3.76 -1.26 -2.64 115.29 127.89 1x0h s HIS 67 Ca 0.37 1.19 0.16 0.00 -0.15 0.00 0.00 55.06 56.62 1x0h s HIS 67 Cb -0.10 -3.06 -0.20 0.00 1.11 0.00 0.00 32.58 30.34 1x0h s HIS 67 CO 0.22 -1.55 0.62 0.98 -0.85 0.00 0.00 174.74 174.16 1x0h n TYR 68 N -3.29 0.75 -0.11 1.40 9.36 -1.23 -4.14 117.16 119.91 1x0h n TYR 68 Ca 0.07 0.26 -0.06 0.00 3.32 0.00 0.00 57.90 61.49 1x0h n TYR 68 Cb 0.56 -1.07 0.02 0.00 -0.63 0.00 0.00 39.34 38.22 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 0.00 0.24 -0.54 2.98 7.50 -1.94 0.22 115.11 123.57 1x0h h GLN 69 Ca -0.26 -0.01 0.01 0.00 0.50 0.00 0.00 58.65 58.89 1x0h h GLN 69 Cb 1.80 -0.05 -0.03 0.00 0.05 0.00 0.00 27.48 29.25 1x0h h GLN 69 CO 0.05 0.16 0.35 -0.44 -1.50 0.00 0.00 178.83 177.45 1x0h h ASP 70 N 0.24 0.59 -0.58 1.46 3.32 -1.99 0.28 116.42 119.74 1x0h h ASP 70 Ca 0.17 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 1x0h h ASP 70 Cb 0.17 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 1x0h h ASP 70 CO -0.19 0.42 0.28 -0.07 -1.72 0.00 0.00 179.24 177.96 1x0h h LEU 71 N 0.70 0.75 -0.78 1.55 3.38 -1.59 -2.15 115.31 117.18 1x0h h LEU 71 Ca 0.21 -0.13 -0.13 0.00 0.09 0.00 0.00 57.88 57.92 1x0h h LEU 71 Cb -0.05 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1x0h h LEU 71 CO -0.06 0.67 -0.49 -0.07 0.09 0.00 0.00 178.44 178.57 1x0h h LEU 72 N 0.78 0.31 -1.28 1.67 3.38 -0.59 -2.73 115.31 116.85 1x0h h LEU 72 Ca 0.20 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1x0h h LEU 72 Cb 0.11 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1x0h h LEU 72 CO -0.03 0.75 -0.18 -0.61 0.09 0.00 0.00 178.44 178.47 1x0h h GLN 73 N 0.23 0.27 -0.05 1.13 -0.00 -0.08 -1.31 115.11 115.30 1x0h h GLN 73 Ca 0.01 -0.07 -0.20 0.00 -0.00 0.00 0.00 58.65 58.39 1x0h h GLN 73 Cb 0.95 -0.03 0.01 0.00 0.00 0.00 0.00 27.48 28.41 1x0h h GLN 73 CO 0.08 0.45 -0.73 -0.07 0.00 0.00 0.00 178.83 178.55 1x0h h LEU 74 N 0.25 0.73 -1.22 -2.39 3.38 -1.21 -1.73 115.31 113.12 1x0h h LEU 74 Ca 0.05 -0.70 -0.07 0.00 0.09 0.00 0.00 57.88 57.24 1x0h h LEU 74 Cb 0.47 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1x0h h LEU 74 CO 0.03 1.33 -0.26 -0.61 0.09 0.00 0.00 178.44 179.02 1x0h h GLN 75 N 0.20 0.20 0.07 1.13 4.15 -1.29 0.35 115.11 119.92 1x0h h GLN 75 Ca -0.08 -0.07 -0.24 0.00 0.77 0.00 0.00 58.65 59.03 1x0h h GLN 75 Cb 1.40 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 29.07 1x0h h GLN 75 CO 0.15 0.46 -1.10 -0.92 -1.93 0.00 0.00 178.83 175.48 1x0h h TYR 76 N 0.19 0.35 0.15 3.99 3.20 -1.25 -3.37 116.97 120.23 1x0h h TYR 76 Ca 0.03 -0.24 -0.01 0.00 3.14 0.00 0.00 58.73 61.65 1x0h h TYR 76 Cb 0.57 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.82 1x0h h TYR 76 CO 0.01 1.15 -0.07 0.93 -1.64 0.00 0.00 178.16 178.54 1x0h h GLU 77 N 0.07 -0.20 0.00 1.82 5.08 -1.04 -3.49 114.58 116.83 1x0h h GLU 77 Ca -0.09 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1x0h h GLU 77 Cb 1.81 0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.11 1x0h h GLU 77 CO 0.17 -0.13 0.00 0.41 -1.00 0.00 0.00 179.01 178.46 1x0h n GLY 78 N 1.14 0.00 3.48 -3.84 0.00 0.03 -5.09 105.19 100.91 1x0h n GLY 78 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 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 3.06 -0.11 1.61 1.01 -0.67 -5.01 120.40 120.29 1x0h s VAL 79 Ca 0.00 -0.73 0.10 0.00 0.00 0.00 0.00 61.98 61.34 1x0h s VAL 79 Cb 0.00 -2.20 -0.13 0.00 0.00 0.00 0.00 36.38 34.05 1x0h s VAL 79 CO 0.00 0.59 0.04 0.00 0.00 0.00 0.00 175.10 175.72 1x0h n ALA 80 N 2.29 1.73 -2.78 5.51 0.00 -1.26 -4.58 120.51 121.42 1x0h n ALA 80 Ca -0.17 -0.72 -0.32 0.00 0.00 0.00 0.00 53.44 52.23 1x0h n ALA 80 Cb 0.52 0.02 -0.07 0.00 0.00 0.00 0.00 19.45 19.93 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 -2.26 4.65 0.04 0.00 1.01 -1.26 -1.17 120.40 121.41 1x0h s VAL 81 Ca -0.06 -0.55 0.06 0.00 0.00 0.00 0.00 61.98 61.44 1x0h s VAL 81 Cb 0.03 -3.17 -0.02 0.00 0.00 0.00 0.00 36.38 33.22 1x0h s VAL 81 CO 0.44 0.26 -0.18 -0.32 0.00 0.00 0.00 175.10 175.30 1x0h s MET 82 N -1.99 1.21 -0.51 2.72 1.75 0.33 -4.81 119.30 117.99 1x0h s MET 82 Ca 0.25 -0.85 -0.16 0.00 -1.25 0.00 0.00 55.69 53.68 1x0h s MET 82 Cb -0.12 -1.28 0.10 0.00 2.84 0.00 0.00 34.83 36.37 1x0h s MET 82 CO 0.17 0.32 0.45 0.21 -0.65 0.00 0.00 175.02 175.53 1x0h s LYS 83 N -1.13 2.98 -0.15 4.11 2.47 -1.26 -2.31 119.74 124.46 1x0h s LYS 83 Ca 0.05 -1.54 -0.06 0.00 -1.56 0.00 0.00 55.97 52.86 1x0h s LYS 83 Cb -0.08 -4.22 -0.04 0.00 -1.46 0.00 0.00 37.83 32.03 1x0h s LYS 83 CO 0.01 -1.19 0.06 -0.51 0.16 0.00 0.00 175.35 173.89 1x0h s LEU 84 N 1.62 3.84 -2.11 5.43 1.43 0.18 -4.36 118.68 124.71 1x0h s LEU 84 Ca 0.04 0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.29 1x0h s LEU 84 Cb -0.27 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 44.00 1x0h s LEU 84 CO 0.05 0.26 0.00 0.49 0.23 0.00 0.00 176.35 177.38 1x0h n PHE 85 N 2.94 -0.26 -2.99 0.29 3.72 -1.26 -1.35 117.46 118.54 1x0h n PHE 85 Ca -0.18 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.02 1x0h n PHE 85 Cb 0.53 -3.62 0.01 0.00 -0.94 0.00 0.00 39.48 35.46 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 -1.55 -4.76 0.00 4.37 9.92 -1.26 -4.60 116.55 118.68 1x0h n ASP 86 Ca -0.22 -0.21 0.00 0.00 -0.53 0.00 0.00 54.79 53.83 1x0h n ASP 86 Cb 0.69 -3.91 0.00 0.00 -0.64 0.00 0.00 41.12 37.25 1x0h n ASP 86 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1x0h n ARG 87 N -3.61 0.00 -1.73 -1.24 1.74 -0.77 -5.03 116.66 106.02 1x0h n ARG 87 Ca -0.09 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.60 1x0h n ARG 87 Cb 0.59 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 32.07 1x0h n ARG 87 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x0h n ALA 88 N -2.44 1.53 -3.42 7.54 0.00 -0.46 -2.83 120.51 120.44 1x0h n ALA 88 Ca 0.00 0.16 -0.30 0.00 0.00 0.00 0.00 53.44 53.30 1x0h n ALA 88 Cb 0.00 -2.33 -0.17 0.00 0.00 0.00 0.00 19.45 16.95 1x0h n ALA 88 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1x0h s LYS 89 N -2.69 2.62 0.16 0.00 1.02 0.47 -0.64 119.74 120.68 1x0h s LYS 89 Ca 0.68 -0.72 0.07 0.00 0.02 0.00 0.00 55.97 56.02 1x0h s LYS 89 Cb -0.44 -2.06 -0.04 0.00 -0.52 0.00 0.00 37.83 34.77 1x0h s LYS 89 CO 0.52 0.08 -0.15 0.08 -0.92 0.00 0.00 175.35 174.95 1x0h s VAL 90 N 0.59 1.58 -0.19 3.17 1.01 -0.98 -1.10 120.40 124.48 1x0h s VAL 90 Ca -0.14 -1.92 -0.26 0.00 0.00 0.00 0.00 61.98 59.65 1x0h s VAL 90 Cb -0.17 -1.78 -0.01 0.00 0.00 0.00 0.00 36.38 34.43 1x0h s VAL 90 CO 0.04 -0.45 0.90 0.21 0.00 0.00 0.00 175.10 175.81 1x0h s ASN 91 N -2.77 7.00 0.39 3.32 2.47 0.17 -0.51 114.94 125.00 1x0h s ASN 91 Ca 0.15 1.23 0.17 0.00 0.42 0.00 0.00 52.86 54.83 1x0h s ASN 91 Cb -0.04 -2.48 0.78 0.00 -1.45 0.00 0.00 41.25 38.06 1x0h s ASN 91 CO 0.05 -0.49 1.81 0.58 -3.72 0.00 0.00 177.10 175.33 1x0h h VAL 92 N 5.29 1.03 0.00 -5.21 2.07 -1.44 0.87 116.25 118.85 1x0h h VAL 92 Ca -0.26 -1.35 -0.14 0.00 0.82 0.00 0.00 66.70 65.78 1x0h h VAL 92 Cb 1.11 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 32.64 1x0h h VAL 92 CO 0.88 0.35 -0.65 0.78 0.02 0.00 0.00 177.57 178.95 1x0h h ASN 93 N 0.00 0.00 0.00 0.57 -0.26 -1.85 -3.15 115.58 110.88 1x0h h ASN 93 Ca -0.00 0.00 -0.35 0.00 -0.56 0.00 0.00 56.30 55.38 1x0h h ASN 93 Cb 0.75 0.00 -0.07 0.00 -1.06 0.00 0.00 38.32 37.94 1x0h h ASN 93 CO 0.05 0.65 -2.33 0.18 -1.06 0.00 0.00 177.43 174.92 1x0h n LEU 94 N -3.67 0.07 -0.36 1.61 4.77 -1.07 -3.63 117.00 114.73 1x0h n LEU 94 Ca -0.01 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1x0h n LEU 94 Cb 0.67 0.45 0.16 0.00 -2.33 0.00 0.00 43.42 42.36 1x0h n LEU 94 CO 0.42 0.49 1.28 0.25 -1.33 0.00 0.00 177.39 178.50 1x0h h LEU 95 N 0.00 1.07 0.05 2.23 5.85 0.70 -2.12 115.31 123.08 1x0h h LEU 95 Ca -0.53 -0.01 -0.27 0.00 0.84 0.00 0.00 57.88 57.91 1x0h h LEU 95 Cb 2.19 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 42.94 1x0h h LEU 95 CO 0.03 0.73 -1.42 0.40 -0.34 0.00 0.00 178.44 177.84 1x0h h ILE 96 N 1.24 1.23 -0.14 4.05 2.04 -1.75 -3.14 117.51 121.04 1x0h h ILE 96 Ca 0.39 -2.96 0.02 0.00 1.00 0.00 0.00 64.86 63.31 1x0h h ILE 96 Cb 0.00 2.69 -0.01 0.00 -0.74 0.00 0.00 36.82 38.76 1x0h h ILE 96 CO -0.12 0.77 0.09 0.15 0.00 0.00 0.00 178.15 179.05 1x0h h PHE 97 N 0.03 0.11 0.04 1.37 3.57 -1.52 0.05 116.94 120.58 1x0h h PHE 97 Ca -0.18 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.19 1x0h h PHE 97 Cb 1.94 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 40.64 1x0h h PHE 97 CO 0.03 0.07 -0.65 1.25 -2.23 0.00 0.00 178.31 176.77 1x0h h LEU 98 N 0.11 0.13 -2.23 0.59 5.85 -1.49 -3.33 115.31 114.94 1x0h h LEU 98 Ca 0.06 -0.85 -0.00 0.00 0.84 0.00 0.00 57.88 57.92 1x0h h LEU 98 Cb 0.09 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 1x0h h LEU 98 CO -0.01 1.27 -0.02 -0.07 -0.34 0.00 0.00 178.44 179.27 1x0h h LEU 99 N -0.79 0.00 -2.17 2.25 3.38 -1.45 0.19 115.31 116.71 1x0h h LEU 99 Ca -0.15 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1x0h h LEU 99 Cb 1.29 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.04 1x0h h LEU 99 CO -0.02 0.02 -0.06 -1.13 0.09 0.00 0.00 178.44 177.34 1x0h h ASN 100 N 0.00 0.00 0.00 -0.43 -0.73 -1.10 -1.84 115.58 111.49 1x0h h ASN 100 Ca -0.00 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.15 1x0h h ASN 100 Cb 0.05 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.63 1x0h h ASN 100 CO 0.00 0.06 -1.32 0.29 -0.37 0.00 0.00 177.43 176.10 1x0h n LYS 101 N -3.53 0.71 0.03 6.67 4.01 -0.42 -4.18 118.16 121.46 1x0h n LYS 101 Ca -0.02 -0.05 -0.01 0.00 -0.51 0.00 0.00 58.31 57.72 1x0h n LYS 101 Cb 0.18 -1.16 -0.01 0.00 -0.51 0.00 0.00 35.03 33.54 1x0h n LYS 101 CO 0.00 0.00 0.00 0.87 -1.11 0.00 0.00 177.40 177.16 1x0h h LYS 102 N 0.00 -0.08 0.06 1.97 1.79 -0.56 -3.42 116.57 116.33 1x0h h LYS 102 Ca -0.03 0.01 -0.38 0.00 -2.18 0.00 0.00 60.65 58.07 1x0h h LYS 102 Cb 0.50 0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 31.12 1x0h h LYS 102 CO 0.00 -0.05 -2.22 1.19 -1.08 0.00 0.00 179.45 177.28 1x0h n PHE 103 N -2.48 0.61 -1.60 -1.35 3.01 -1.06 -4.90 117.46 109.69 1x0h n PHE 103 Ca -0.01 0.14 -0.48 0.00 1.01 0.00 0.00 57.45 58.11 1x0h n PHE 103 Cb 0.03 -1.08 -0.05 0.00 -0.01 0.00 0.00 39.48 38.37 1x0h n PHE 103 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1x0h n TYR 104 N -3.44 2.05 0.00 1.38 4.01 -0.71 -4.69 117.16 115.76 1x0h n TYR 104 Ca -0.39 0.05 0.00 0.00 -0.16 0.00 0.00 57.90 57.39 1x0h n TYR 104 Cb 1.00 -2.64 0.00 0.00 -0.31 0.00 0.00 39.34 37.39 1x0h n TYR 104 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1x0h n GLY 105 N 5.29 0.99 3.45 2.72 0.00 -1.26 -4.41 105.19 111.97 1x0h n GLY 105 Ca 0.29 0.09 -0.44 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 3.69 0.07 1.61 1.02 -1.26 -4.83 119.74 120.03 1x0h s LYS 106 Ca 0.00 -1.94 0.00 0.00 0.02 0.00 0.00 55.97 54.05 1x0h s LYS 106 Cb 0.00 -4.92 0.00 0.00 -0.52 0.00 0.00 37.83 32.39 1x0h s LYS 106 CO 0.00 -1.75 0.00 0.45 -0.92 0.00 0.00 175.35 173.13 1x0h n SER 107 N 6.27 0.00 0.00 2.83 2.88 -1.26 -4.86 113.62 119.47 1x0h n SER 107 Ca 0.26 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 1x0h n SER 107 Cb 0.48 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 1x0h n SER 107 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x0h n GLY 108 N 0.00 0.50 1.02 0.46 0.00 -1.26 -5.08 105.19 100.82 1x0h n GLY 108 Ca 0.00 -2.30 -0.07 0.00 0.00 0.00 0.00 46.02 43.65 1x0h n GLY 108 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1x0h n PRO 109 N -0.41 -1.40 -3.88 1.61 -0.02 -1.26 -5.01 135.00 124.63 1x0h n PRO 109 Ca 0.00 -0.33 -0.30 0.00 -2.02 0.00 0.00 63.50 60.85 1x0h n PRO 109 Cb 0.00 -0.54 -0.16 0.00 -0.02 0.00 0.00 33.50 32.78 1x0h n PRO 109 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1x0h s SER 110 N -1.93 3.66 -0.28 2.55 0.01 -1.26 -5.10 113.70 111.35 1x0h s SER 110 Ca 0.15 -1.15 -0.18 0.00 1.31 0.00 0.00 55.95 56.08 1x0h s SER 110 Cb -0.03 -1.03 0.09 0.00 0.21 0.00 0.00 66.02 65.26 1x0h s SER 110 CO 0.13 -0.27 0.77 -0.94 0.41 0.00 0.00 173.24 173.34 1x0h s SER 111 N 1.51 -0.80 0.00 2.44 1.04 -1.26 -5.36 113.70 111.26 1x0h s SER 111 Ca -0.03 1.34 0.00 0.00 0.48 0.00 0.00 55.95 57.74 1x0h s SER 111 Cb -0.18 1.34 0.00 0.00 0.10 0.00 0.00 66.02 67.27 1x0h s SER 111 CO -0.08 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.54