#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 0.00 -4.95 1.61 3.41 -1.26 -5.15 113.62 107.29 1x0h n SER 2 Ca 0.00 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.38 1x0h n SER 2 Cb 0.00 0.16 -0.01 0.00 -0.26 0.00 0.00 64.21 64.09 1x0h n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x0h s SER 3 N -1.55 6.29 0.00 4.04 0.01 -1.26 -5.06 113.70 116.17 1x0h s SER 3 Ca 0.00 0.36 0.00 0.00 1.31 0.00 0.00 55.95 57.62 1x0h s SER 3 Cb 0.00 -1.98 0.00 0.00 0.21 0.00 0.00 66.02 64.25 1x0h s SER 3 CO 0.00 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.01 1x0h n GLY 4 N -1.70 4.71 2.24 3.44 0.00 -1.26 -5.14 105.19 107.48 1x0h n GLY 4 Ca -0.06 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.95 1x0h n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x0h n SER 5 N 0.00 -9.20 -4.73 1.61 7.64 -1.26 -4.96 113.62 102.72 1x0h n SER 5 Ca 0.00 1.69 -0.30 0.00 1.01 0.00 0.00 58.87 61.27 1x0h n SER 5 Cb 0.00 -5.04 0.13 0.00 -1.01 0.00 0.00 64.21 58.28 1x0h n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x0h s SER 6 N -0.56 3.74 1.12 6.43 1.04 -1.26 -5.02 113.70 119.19 1x0h s SER 6 Ca 0.00 1.59 -0.15 0.00 0.48 0.00 0.00 55.95 57.87 1x0h s SER 6 Cb 0.00 -2.28 0.25 0.00 0.10 0.00 0.00 66.02 64.09 1x0h s SER 6 CO 0.00 -2.48 1.08 -0.83 0.98 0.00 0.00 173.24 171.99 1x0h s GLY 7 N -3.40 1.55 0.48 7.32 0.00 -1.26 -4.87 107.32 107.15 1x0h s GLY 7 Ca 0.63 -0.58 0.00 0.00 0.00 0.00 0.00 44.72 44.77 1x0h s GLY 7 CO 0.57 0.17 0.00 1.39 0.00 0.00 0.00 173.10 175.23 1x0h n ILE 8 N -4.59 -4.42 -3.64 0.90 5.41 -1.26 -4.84 119.36 106.92 1x0h n ILE 8 Ca 0.08 1.98 -0.06 0.00 1.00 0.00 0.00 62.75 65.75 1x0h n ILE 8 Cb 0.58 -2.80 -0.07 0.00 -0.71 0.00 0.00 39.64 36.64 1x0h n ILE 8 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1x0h s SER 9 N -3.62 -0.47 0.18 4.38 0.15 -1.26 -4.62 113.70 108.44 1x0h s SER 9 Ca 0.00 0.82 -0.02 0.00 0.70 0.00 0.00 55.95 57.45 1x0h s SER 9 Cb 0.00 1.00 -0.05 0.00 -1.71 0.00 0.00 66.02 65.26 1x0h s SER 9 CO 0.00 -0.14 0.39 -0.76 1.20 0.00 0.00 173.24 173.93 1x0h s LEU 10 N 0.74 4.23 -0.27 3.45 1.43 -1.10 -5.04 118.68 122.13 1x0h s LEU 10 Ca -0.02 0.48 -0.01 0.00 -1.03 0.00 0.00 54.13 53.55 1x0h s LEU 10 Cb -0.04 -3.23 0.14 0.00 0.03 0.00 0.00 46.19 43.09 1x0h s LEU 10 CO -0.11 -0.01 0.37 -0.75 0.23 0.00 0.00 176.35 176.08 1x0h s LYS 11 N -3.08 0.36 -0.05 1.70 2.47 -1.26 -3.44 119.74 116.43 1x0h s LYS 11 Ca 0.39 0.25 0.01 0.00 -1.56 0.00 0.00 55.97 55.06 1x0h s LYS 11 Cb -0.11 -0.48 0.02 0.00 -1.46 0.00 0.00 37.83 35.80 1x0h s LYS 11 CO 0.28 -0.86 -0.05 0.71 0.16 0.00 0.00 175.35 175.59 1x0h s TYR 12 N 2.50 0.84 0.69 4.03 2.02 -1.17 -5.00 117.35 121.27 1x0h s TYR 12 Ca 0.11 -0.26 -0.12 0.00 -0.37 0.00 0.00 57.07 56.43 1x0h s TYR 12 Cb -0.14 -0.75 0.01 0.00 -0.40 0.00 0.00 41.96 40.68 1x0h s TYR 12 CO -0.24 -0.23 1.07 0.95 -1.57 0.00 0.00 175.55 175.52 1x0h s THR 13 N 1.07 3.82 0.31 -0.71 -4.23 -1.26 -1.22 115.64 113.41 1x0h s THR 13 Ca -0.09 0.65 0.01 0.00 -1.18 0.00 0.00 61.69 61.08 1x0h s THR 13 Cb -0.14 -3.29 0.18 0.00 1.34 0.00 0.00 72.50 70.58 1x0h s THR 13 CO -0.01 -0.71 1.87 0.00 -0.54 0.00 0.00 174.62 175.23 1x0h h ALA 14 N -0.53 1.31 -0.10 3.99 0.00 -1.49 -2.20 119.26 120.25 1x0h h ALA 14 Ca -0.44 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.27 1x0h h ALA 14 Cb 1.22 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1x0h h ALA 14 CO 0.56 0.49 -0.03 0.00 0.00 0.00 0.00 179.25 180.27 1x0h h ALA 15 N 1.43 1.77 0.39 0.00 0.00 -1.82 -1.07 119.26 119.95 1x0h h ALA 15 Ca 0.17 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1x0h h ALA 15 Cb 0.23 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1x0h h ALA 15 CO -0.01 0.18 -0.19 0.00 0.00 0.00 0.00 179.25 179.24 1x0h h ARG 16 N 0.14 -0.50 -0.17 0.00 2.47 -1.74 -2.35 114.38 112.23 1x0h h ARG 16 Ca 0.03 0.03 0.01 0.00 -1.26 0.00 0.00 59.98 58.80 1x0h h ARG 16 Cb 0.16 0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.58 1x0h h ARG 16 CO 0.01 -0.19 0.11 -0.07 0.56 0.00 0.00 179.97 180.39 1x0h h LEU 17 N -0.96 0.17 -0.36 3.04 3.38 -1.41 -1.74 115.31 117.42 1x0h h LEU 17 Ca -0.05 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1x0h h LEU 17 Cb 0.54 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1x0h h LEU 17 CO 0.09 0.12 0.02 -0.74 0.09 0.00 0.00 178.44 178.02 1x0h h HIS 18 N 0.20 0.67 -0.07 1.13 2.76 -1.17 -1.10 115.15 117.57 1x0h h HIS 18 Ca 0.07 -0.11 -0.09 0.00 -2.20 0.00 0.00 60.37 58.03 1x0h h HIS 18 Cb 0.02 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 28.79 1x0h h HIS 18 CO -0.00 0.70 -0.39 0.93 -1.30 0.00 0.00 177.93 177.88 1x0h h GLU 19 N 0.44 0.14 -0.07 5.26 4.39 -0.82 -2.87 114.58 121.05 1x0h h GLU 19 Ca 0.10 -0.06 -0.17 0.00 0.34 0.00 0.00 59.36 59.57 1x0h h GLU 19 Cb 0.42 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 1x0h h GLU 19 CO 0.01 0.52 -0.68 0.87 -1.16 0.00 0.00 179.01 178.57 1x0h h LYS 20 N 0.12 0.33 0.00 2.33 1.57 -1.13 -3.48 116.57 116.32 1x0h h LYS 20 Ca 0.01 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1x0h h LYS 20 Cb 0.75 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.11 1x0h h LYS 20 CO 0.06 0.89 0.00 0.41 -0.57 0.00 0.00 179.45 180.24 1x0h n GLY 21 N 0.46 2.32 0.47 3.86 0.00 -0.47 -5.00 105.19 106.82 1x0h n GLY 21 Ca -0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.53 1.61 2.07 -1.67 -3.42 116.25 111.31 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 -0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1x0h h VAL 22 CO 0.00 0.00 0.44 -0.22 0.02 0.00 0.00 177.57 177.81 1x0h s LEU 23 N -9.54 4.48 -0.00 2.57 2.96 -0.98 0.72 118.68 118.89 1x0h s LEU 23 Ca -0.17 1.98 -0.00 0.00 -0.22 0.00 0.00 54.13 55.71 1x0h s LEU 23 Cb 0.03 -3.60 -0.00 0.00 0.50 0.00 0.00 46.19 43.13 1x0h s LEU 23 CO 0.55 -0.19 -0.00 0.18 -1.32 0.00 0.00 176.35 175.57 1x0h n LEU 24 N 2.68 0.00 -3.80 -0.68 4.77 -0.21 -4.33 117.00 115.43 1x0h n LEU 24 Ca 0.03 0.10 -0.09 0.00 -0.03 0.00 0.00 56.01 56.02 1x0h n LEU 24 Cb 0.47 -0.50 0.03 0.00 -2.33 0.00 0.00 43.42 41.09 1x0h n LEU 24 CO 0.53 -0.50 0.54 -1.61 -1.33 0.00 0.00 177.39 175.02 1x0h s GLU 25 N -1.00 2.29 0.02 3.23 2.02 -1.01 -5.03 118.70 119.22 1x0h s GLU 25 Ca -0.00 -1.49 0.01 0.00 0.02 0.00 0.00 54.97 53.51 1x0h s GLU 25 Cb 0.00 0.63 -0.02 0.00 0.10 0.00 0.00 34.13 34.84 1x0h s GLU 25 CO 0.00 -1.08 -0.05 0.42 0.02 0.00 0.00 175.26 174.57 1x0h s ILE 26 N -2.11 0.36 -0.52 -1.63 1.01 -1.26 0.15 121.20 117.20 1x0h s ILE 26 Ca 0.16 -0.79 -0.03 0.00 0.00 0.00 0.00 60.65 59.99 1x0h s ILE 26 Cb -0.05 -0.42 0.13 0.00 0.01 0.00 0.00 42.46 42.13 1x0h s ILE 26 CO 0.12 -0.29 2.59 -0.62 0.00 0.00 0.00 174.94 176.74 1x0h n GLU 27 N 1.91 2.43 0.00 2.79 1.02 -0.77 -4.22 120.64 123.80 1x0h n GLU 27 Ca -0.20 -2.52 0.00 0.00 -0.02 0.00 0.00 57.16 54.42 1x0h n GLU 27 Cb 0.56 -2.14 0.00 0.00 -0.02 0.00 0.00 31.44 29.84 1x0h n GLU 27 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1x0h n ASP 28 N 0.57 -0.01 -4.68 1.62 2.03 -1.26 -4.89 116.55 109.93 1x0h n ASP 28 Ca 0.49 0.01 -0.37 0.00 0.52 0.00 0.00 54.79 55.44 1x0h n ASP 28 Cb 0.50 0.15 -0.08 0.00 -0.72 0.00 0.00 41.12 40.97 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 -4.29 4.15 0.00 -2.67 2.01 -1.26 -5.09 118.68 111.54 1x0h s LEU 29 Ca 0.00 0.31 -0.05 0.00 0.01 0.00 0.00 54.13 54.40 1x0h s LEU 29 Cb 0.00 -2.28 0.08 0.00 0.01 0.00 0.00 46.19 44.00 1x0h s LEU 29 CO 0.00 0.03 0.25 0.00 1.01 0.00 0.00 176.35 177.64 1x0h n GLN 30 N 4.20 -1.76 0.06 1.70 1.13 -1.26 -4.28 117.38 117.17 1x0h n GLN 30 Ca -0.12 -0.41 -0.13 0.00 -1.94 0.00 0.00 57.00 54.40 1x0h n GLN 30 Cb 0.52 -0.41 -0.09 0.00 0.11 0.00 0.00 30.24 30.37 1x0h n GLN 30 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1x0h h VAL 31 N -1.92 1.03 0.00 5.09 2.07 -1.98 -3.03 116.25 117.50 1x0h h VAL 31 Ca -0.10 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 1x0h h VAL 31 Cb 0.31 1.55 -0.00 0.00 -1.52 0.00 0.00 31.29 31.63 1x0h h VAL 31 CO 0.06 0.20 -0.03 -0.55 0.02 0.00 0.00 177.57 177.27 1x0h h ASN 32 N -0.61 0.00 1.15 0.57 -1.07 -2.05 -1.74 115.58 111.83 1x0h h ASN 32 Ca -0.02 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 56.34 1x0h h ASN 32 Cb 0.47 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.72 1x0h h ASN 32 CO 0.03 0.03 -0.03 1.56 0.07 0.00 0.00 177.43 179.09 1x0h h GLN 33 N 0.00 0.00 -0.54 4.14 4.20 -1.87 -3.07 115.11 117.97 1x0h h GLN 33 Ca -0.00 0.00 0.16 0.00 0.06 0.00 0.00 58.65 58.87 1x0h h GLN 33 Cb 0.28 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 1x0h h GLN 33 CO 0.00 0.03 0.52 0.74 -0.67 0.00 0.00 178.83 179.46 1x0h h PHE 34 N 0.00 0.00 0.00 2.96 -1.00 -1.29 0.47 116.94 118.09 1x0h h PHE 34 Ca -0.00 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.70 1x0h h PHE 34 Cb 0.62 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.17 1x0h h PHE 34 CO 0.00 0.00 -0.36 0.87 -1.61 0.00 0.00 178.31 177.21 1x0h h LYS 35 N 0.00 0.00 -1.02 1.51 1.57 -1.75 -2.78 116.57 114.09 1x0h h LYS 35 Ca 0.26 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.52 1x0h h LYS 35 Cb 1.30 0.00 -0.28 0.00 0.08 0.00 0.00 32.23 33.33 1x0h h LYS 35 CO -0.00 0.36 0.66 0.27 -0.57 0.00 0.00 179.45 180.17 1x0h n ASN 36 N -3.83 4.69 -3.81 0.86 0.23 0.17 -4.89 115.26 108.68 1x0h n ASN 36 Ca -0.01 -3.53 -0.13 0.00 -0.53 0.00 0.00 54.58 50.38 1x0h n ASN 36 Cb 0.43 -0.86 -0.13 0.00 -2.08 0.00 0.00 39.78 37.14 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 -3.39 -0.01 0.01 3.53 1.01 -1.05 -5.09 120.40 115.40 1x0h s VAL 37 Ca 0.54 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.59 1x0h s VAL 37 Cb 0.45 -0.19 -0.01 0.00 0.00 0.00 0.00 36.38 36.63 1x0h s VAL 37 CO 0.07 0.02 -0.07 -0.51 0.00 0.00 0.00 175.10 174.62 1x0h s ILE 38 N 0.37 0.50 -0.33 2.22 2.07 -1.26 -2.25 121.20 122.52 1x0h s ILE 38 Ca -0.03 -0.44 -0.09 0.00 -1.41 0.00 0.00 60.65 58.68 1x0h s ILE 38 Cb -0.04 -0.46 0.01 0.00 0.13 0.00 0.00 42.46 42.11 1x0h s ILE 38 CO -0.01 0.03 0.15 -0.36 -1.91 0.00 0.00 174.94 172.83 1x0h s PHE 39 N -0.41 3.20 -0.54 3.50 0.08 -0.36 -3.85 117.98 119.60 1x0h s PHE 39 Ca -0.00 -0.85 -0.17 0.00 0.12 0.00 0.00 56.93 56.03 1x0h s PHE 39 Cb -0.04 -2.35 0.11 0.00 -0.57 0.00 0.00 43.02 40.16 1x0h s PHE 39 CO -0.00 -0.56 0.56 -2.00 -0.10 0.00 0.00 175.22 173.12 1x0h s GLU 40 N 1.55 3.02 -0.47 0.44 -6.30 -0.98 -3.05 118.70 112.91 1x0h s GLU 40 Ca 0.03 -1.46 -0.14 0.00 -2.50 0.00 0.00 54.97 50.90 1x0h s GLU 40 Cb -0.18 -4.25 0.08 0.00 0.00 0.00 0.00 34.13 29.79 1x0h s GLU 40 CO 0.05 -1.35 0.37 0.42 0.02 0.00 0.00 175.26 174.78 1x0h s ILE 41 N 2.05 4.92 -0.18 -3.70 1.01 -1.22 -1.77 121.20 122.31 1x0h s ILE 41 Ca 0.07 -1.24 -0.18 0.00 0.00 0.00 0.00 60.65 59.29 1x0h s ILE 41 Cb -0.26 -4.00 -0.03 0.00 0.01 0.00 0.00 42.46 38.18 1x0h s ILE 41 CO 0.05 -0.61 0.51 -0.44 0.00 0.00 0.00 174.94 174.46 1x0h s SER 42 N 2.61 6.59 0.34 3.58 0.01 -0.88 -2.71 113.70 123.24 1x0h s SER 42 Ca 0.04 0.71 -0.28 0.00 1.31 0.00 0.00 55.95 57.73 1x0h s SER 42 Cb -0.25 -2.29 -0.12 0.00 0.21 0.00 0.00 66.02 63.57 1x0h s SER 42 CO 0.05 -0.15 1.19 -2.65 0.41 0.00 0.00 173.24 172.09 1x0h n PRO 43 N 4.59 1.86 -2.40 12.44 -0.02 -1.26 -3.38 135.00 146.82 1x0h n PRO 43 Ca -0.05 0.65 -0.25 0.00 -2.02 0.00 0.00 63.50 61.83 1x0h n PRO 43 Cb 0.51 -2.19 0.05 0.00 -0.02 0.00 0.00 33.50 31.84 1x0h n PRO 43 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1x0h s THR 44 N -1.11 2.97 0.10 3.45 2.01 -1.26 -4.90 115.64 116.89 1x0h s THR 44 Ca 0.57 -0.24 -0.13 0.00 0.31 0.00 0.00 61.69 62.19 1x0h s THR 44 Cb -0.60 -3.20 -0.15 0.00 0.01 0.00 0.00 72.50 68.56 1x0h s THR 44 CO 0.61 -0.20 1.31 1.05 -0.69 0.00 0.00 174.62 176.70 1x0h h GLU 45 N -0.27 0.77 0.00 4.92 4.11 -1.94 -3.46 114.58 118.71 1x0h h GLU 45 Ca -0.45 -0.60 -0.34 0.00 0.07 0.00 0.00 59.36 58.04 1x0h h GLU 45 Cb 1.29 0.12 0.01 0.00 0.50 0.00 0.00 28.75 30.67 1x0h h GLU 45 CO 0.59 1.21 -0.07 0.39 0.07 0.00 0.00 179.01 181.21 1x0h n GLU 46 N -4.00 0.75 -4.02 1.06 4.71 -1.26 -5.12 120.64 112.76 1x0h n GLU 46 Ca -0.07 -2.20 -0.33 0.00 -0.01 0.00 0.00 57.16 54.55 1x0h n GLU 46 Cb 0.70 -0.11 -0.06 0.00 -1.01 0.00 0.00 31.44 30.96 1x0h n GLU 46 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1x0h s VAL 47 N -1.55 5.02 0.00 2.62 0.11 -1.26 -4.43 120.40 120.90 1x0h s VAL 47 Ca 0.39 -0.32 0.00 0.00 -2.93 0.00 0.00 61.98 59.13 1x0h s VAL 47 Cb -0.03 -3.32 0.00 0.00 -1.53 0.00 0.00 36.38 31.50 1x0h s VAL 47 CO 0.25 0.33 0.00 0.61 -3.33 0.00 0.00 175.10 172.96 1x0h n GLY 48 N 1.06 2.91 3.92 6.54 0.00 -1.26 -5.05 105.19 113.32 1x0h n GLY 48 Ca -0.12 -0.04 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 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 0.88 6.28 -0.14 1.61 2.15 -1.26 -2.52 116.67 123.68 1x0h s ASP 49 Ca 0.00 0.75 -0.08 0.00 0.43 0.00 0.00 52.55 53.65 1x0h s ASP 49 Cb 0.00 -2.17 0.05 0.00 -0.30 0.00 0.00 42.92 40.50 1x0h s ASP 49 CO 0.00 -0.46 0.33 -0.36 -0.17 0.00 0.00 175.17 174.51 1x0h s PHE 50 N -2.56 -0.46 -0.37 -5.34 0.08 -0.24 -4.58 117.98 104.51 1x0h s PHE 50 Ca 0.45 1.02 -0.16 0.00 0.12 0.00 0.00 56.93 58.35 1x0h s PHE 50 Cb -0.10 0.16 0.00 0.00 -0.57 0.00 0.00 43.02 42.51 1x0h s PHE 50 CO 0.41 -0.27 0.41 -2.00 -0.10 0.00 0.00 175.22 173.66 1x0h s GLU 51 N 1.18 3.39 -0.13 0.44 2.12 -1.22 -0.41 118.70 124.08 1x0h s GLU 51 Ca -0.08 -0.52 -0.03 0.00 0.36 0.00 0.00 54.97 54.70 1x0h s GLU 51 Cb -0.08 -3.87 -0.03 0.00 0.26 0.00 0.00 34.13 30.41 1x0h s GLU 51 CO -0.09 -0.66 -0.02 0.08 -0.54 0.00 0.00 175.26 174.02 1x0h s VAL 52 N 2.10 4.07 0.05 3.70 1.01 -1.11 -2.07 120.40 128.15 1x0h s VAL 52 Ca 0.13 -0.31 0.04 0.00 0.00 0.00 0.00 61.98 61.83 1x0h s VAL 52 Cb -0.17 -2.76 -0.02 0.00 0.00 0.00 0.00 36.38 33.43 1x0h s VAL 52 CO 0.13 0.53 -0.11 -0.75 0.00 0.00 0.00 175.10 174.90 1x0h s LYS 53 N -0.11 0.67 -0.26 2.72 2.47 -0.73 -2.97 119.74 121.53 1x0h s LYS 53 Ca 0.03 -0.80 0.00 0.00 -1.56 0.00 0.00 55.97 53.64 1x0h s LYS 53 Cb -0.13 -0.56 0.07 0.00 -1.46 0.00 0.00 37.83 35.75 1x0h s LYS 53 CO 0.02 0.12 0.01 0.00 0.16 0.00 0.00 175.35 175.66 1x0h s ALA 54 N -1.22 1.84 -0.49 3.13 0.00 -1.26 -2.33 121.76 121.43 1x0h s ALA 54 Ca -0.05 -1.48 -0.27 0.00 0.00 0.00 0.00 51.96 50.16 1x0h s ALA 54 Cb -0.09 -1.51 -0.03 0.00 0.00 0.00 0.00 23.12 21.49 1x0h s ALA 54 CO 0.01 -1.36 1.99 0.21 0.00 0.00 0.00 175.76 176.61 1x0h s LYS 55 N 1.45 2.71 0.39 0.00 2.36 -1.25 -4.28 119.74 121.12 1x0h s LYS 55 Ca 0.01 1.08 0.00 0.00 -2.55 0.00 0.00 55.97 54.51 1x0h s LYS 55 Cb -0.18 -4.38 0.00 0.00 -1.05 0.00 0.00 37.83 32.21 1x0h s LYS 55 CO -0.11 -2.61 0.00 0.34 1.55 0.00 0.00 175.35 174.52 1x0h n PHE 56 N 12.81 -4.32 -3.51 4.03 7.35 -1.26 -4.74 117.46 127.82 1x0h n PHE 56 Ca 0.25 1.34 -0.28 0.00 -0.76 0.00 0.00 57.45 58.00 1x0h n PHE 56 Cb 0.51 3.42 -0.12 0.00 0.35 0.00 0.00 39.48 43.64 1x0h n PHE 56 CO 0.00 0.00 0.00 -1.64 -0.76 0.00 0.00 176.76 174.36 1x0h s MET 57 N -1.91 0.86 -0.29 -4.13 -1.94 -1.26 -5.09 119.30 105.55 1x0h s MET 57 Ca 0.00 -1.76 -0.28 0.00 -1.71 0.00 0.00 55.69 51.94 1x0h s MET 57 Cb 0.00 -1.61 -0.03 0.00 2.01 0.00 0.00 34.83 35.20 1x0h s MET 57 CO 0.00 -1.25 1.93 0.20 -0.01 0.00 0.00 175.02 175.88 1x0h s GLY 58 N 0.55 0.73 -0.14 -0.03 0.00 -1.26 -4.96 107.32 102.20 1x0h s GLY 58 Ca 0.22 0.45 0.01 0.00 0.00 0.00 0.00 44.72 45.40 1x0h s GLY 58 CO -0.06 3.43 -0.16 0.54 0.00 0.00 0.00 173.10 176.86 1x0h s VAL 59 N 7.25 1.64 0.62 1.40 0.11 -1.26 -5.05 120.40 125.11 1x0h s VAL 59 Ca 0.86 -0.70 0.00 0.00 -2.93 0.00 0.00 61.98 59.22 1x0h s VAL 59 Cb -0.26 -1.51 0.00 0.00 -1.53 0.00 0.00 36.38 33.08 1x0h s VAL 59 CO 0.34 0.47 0.00 0.00 -3.33 0.00 0.00 175.10 172.58 1x0h n GLN 60 N 4.53 -3.54 -2.85 1.54 6.02 -1.26 -4.50 117.38 117.31 1x0h n GLN 60 Ca -0.18 2.86 -0.44 0.00 -0.01 0.00 0.00 57.00 59.23 1x0h n GLN 60 Cb 0.50 -3.95 -0.00 0.00 1.02 0.00 0.00 30.24 27.81 1x0h n GLN 60 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 1x0h s MET 61 N -4.58 4.01 -0.25 -1.09 1.75 -1.26 -4.90 119.30 112.97 1x0h s MET 61 Ca 0.00 -2.33 -0.26 0.00 -1.25 0.00 0.00 55.69 51.86 1x0h s MET 61 Cb 0.00 -5.16 0.09 0.00 2.84 0.00 0.00 34.83 32.60 1x0h s MET 61 CO 0.00 -1.89 0.85 -2.00 -0.65 0.00 0.00 175.02 171.33 1x0h s GLU 62 N 2.38 0.71 0.36 4.11 2.56 -1.26 -5.18 118.70 122.38 1x0h s GLU 62 Ca 0.44 0.75 0.08 0.00 0.00 0.00 0.00 54.97 56.25 1x0h s GLU 62 Cb -0.01 0.35 -0.05 0.00 2.00 0.00 0.00 34.13 36.42 1x0h s GLU 62 CO 0.01 -0.10 0.14 0.99 -0.56 0.00 0.00 175.26 175.73 1x0h s THR 63 N 0.14 2.75 0.36 -1.70 2.01 -1.26 -4.96 115.64 112.97 1x0h s THR 63 Ca 0.00 -1.73 -0.23 0.00 0.31 0.00 0.00 61.69 60.04 1x0h s THR 63 Cb -0.04 -2.95 -0.10 0.00 0.01 0.00 0.00 72.50 69.41 1x0h s THR 63 CO -0.01 -0.13 0.93 0.12 -0.69 0.00 0.00 174.62 174.83 1x0h s PHE 64 N -2.49 3.54 -0.23 4.92 5.36 -1.16 -5.00 117.98 122.93 1x0h s PHE 64 Ca 0.38 1.68 -0.04 0.00 -0.96 0.00 0.00 56.93 57.99 1x0h s PHE 64 Cb -0.00 -2.86 -0.00 0.00 -0.34 0.00 0.00 43.02 39.81 1x0h s PHE 64 CO 0.22 0.10 -0.02 1.41 -1.46 0.00 0.00 175.22 175.47 1x0h s MET 65 N -2.49 3.28 -0.27 10.12 -2.45 -1.26 -2.75 119.30 123.48 1x0h s MET 65 Ca 0.54 -0.69 -0.06 0.00 -1.25 0.00 0.00 55.69 54.22 1x0h s MET 65 Cb -0.15 -3.07 -0.00 0.00 1.25 0.00 0.00 34.83 32.86 1x0h s MET 65 CO 0.19 -0.25 0.06 -1.17 1.05 0.00 0.00 175.02 174.90 1x0h s LEU 66 N 1.47 3.63 0.26 4.11 2.96 0.45 -4.99 118.68 126.57 1x0h s LEU 66 Ca 0.05 -0.56 -0.09 0.00 -0.22 0.00 0.00 54.13 53.31 1x0h s LEU 66 Cb -0.15 -1.87 -0.07 0.00 0.50 0.00 0.00 46.19 44.60 1x0h s LEU 66 CO -0.02 -0.13 0.57 -1.00 -1.32 0.00 0.00 176.35 174.44 1x0h s HIS 67 N 1.52 3.44 0.20 5.38 3.76 -1.26 -1.08 115.29 127.25 1x0h s HIS 67 Ca 0.04 0.85 0.07 0.00 -0.15 0.00 0.00 55.06 55.86 1x0h s HIS 67 Cb -0.16 -2.25 0.11 0.00 1.11 0.00 0.00 32.58 31.39 1x0h s HIS 67 CO 0.02 0.22 1.46 -0.92 -0.85 0.00 0.00 174.74 174.67 1x0h h TYR 68 N 2.26 0.11 -0.69 1.40 3.20 -1.87 -3.19 116.97 118.19 1x0h h TYR 68 Ca -0.47 -0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.34 1x0h h TYR 68 Cb 1.17 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 39.40 1x0h h TYR 68 CO 0.61 0.83 0.43 1.96 -1.64 0.00 0.00 178.16 180.34 1x0h h GLN 69 N 0.05 0.93 -0.93 1.82 1.08 -1.94 -2.08 115.11 114.02 1x0h h GLN 69 Ca -0.02 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.11 1x0h h GLN 69 Cb 1.38 -0.20 -0.05 0.00 -0.05 0.00 0.00 27.48 28.56 1x0h h GLN 69 CO 0.11 0.64 0.59 -0.44 -0.95 0.00 0.00 178.83 178.78 1x0h h ASP 70 N 0.95 1.09 -0.65 1.46 3.32 -1.97 0.48 116.42 121.10 1x0h h ASP 70 Ca 0.25 -0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.19 1x0h h ASP 70 Cb -0.06 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.19 1x0h h ASP 70 CO -0.05 0.81 0.14 -0.07 -1.72 0.00 0.00 179.24 178.35 1x0h h LEU 71 N 1.27 1.00 -0.22 1.55 3.38 -1.49 -2.85 115.31 117.96 1x0h h LEU 71 Ca 0.34 -0.24 -0.19 0.00 0.09 0.00 0.00 57.88 57.88 1x0h h LEU 71 Cb -0.10 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.36 1x0h h LEU 71 CO -0.07 0.98 -0.90 -0.07 0.09 0.00 0.00 178.44 178.48 1x0h h LEU 72 N 0.97 0.02 -1.89 1.67 3.38 -1.14 -3.20 115.31 115.12 1x0h h LEU 72 Ca 0.20 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.18 1x0h h LEU 72 Cb 0.39 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1x0h h LEU 72 CO 0.01 0.91 0.13 -0.61 0.09 0.00 0.00 178.44 178.96 1x0h h GLN 73 N 0.01 0.15 0.01 1.13 -0.00 0.18 -0.81 115.11 115.77 1x0h h GLN 73 Ca -0.01 -0.01 -0.13 0.00 -0.00 0.00 0.00 58.65 58.50 1x0h h GLN 73 Cb 1.58 -0.03 0.01 0.00 0.00 0.00 0.00 27.48 29.04 1x0h h GLN 73 CO 0.12 0.10 -0.50 -0.07 0.00 0.00 0.00 178.83 178.47 1x0h h LEU 74 N 0.15 0.43 -1.59 -2.39 3.38 -1.52 -2.86 115.31 110.91 1x0h h LEU 74 Ca 0.08 -0.78 -0.03 0.00 0.09 0.00 0.00 57.88 57.24 1x0h h LEU 74 Cb 0.13 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1x0h h LEU 74 CO -0.01 1.16 -0.04 1.56 0.09 0.00 0.00 178.44 181.20 1x0h h GLN 75 N -0.25 0.21 -0.14 1.13 4.20 -1.46 0.06 115.11 118.86 1x0h h GLN 75 Ca -0.07 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.55 1x0h h GLN 75 Cb 1.24 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.98 1x0h h GLN 75 CO 0.10 0.27 -0.16 -0.92 -0.67 0.00 0.00 178.83 177.45 1x0h h TYR 76 N 0.21 0.42 0.08 2.96 3.20 -1.20 -3.37 116.97 119.27 1x0h h TYR 76 Ca 0.05 -0.13 -0.00 0.00 3.14 0.00 0.00 58.73 61.78 1x0h h TYR 76 Cb 0.21 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.39 1x0h h TYR 76 CO 0.00 0.76 -0.04 0.93 -1.64 0.00 0.00 178.16 178.17 1x0h h GLU 77 N -0.04 -0.10 0.00 1.82 5.08 -1.24 -3.49 114.58 116.61 1x0h h GLU 77 Ca 0.02 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1x0h h GLU 77 Cb 0.70 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1x0h h GLU 77 CO 0.04 -0.07 0.00 0.41 -1.00 0.00 0.00 179.01 178.39 1x0h n GLY 78 N 0.49 0.00 3.06 -3.84 0.00 -0.10 -5.11 105.19 99.70 1x0h n GLY 78 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 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 1.77 -0.01 1.61 1.01 -0.59 -4.99 120.40 119.21 1x0h s VAL 79 Ca 0.00 -0.78 0.08 0.00 0.00 0.00 0.00 61.98 61.28 1x0h s VAL 79 Cb 0.00 -1.65 -0.23 0.00 0.00 0.00 0.00 36.38 34.50 1x0h s VAL 79 CO 0.00 0.47 0.80 0.00 0.00 0.00 0.00 175.10 176.37 1x0h h ALA 80 N 8.00 0.60 -2.55 5.51 0.00 -1.97 -3.37 119.26 125.48 1x0h h ALA 80 Ca -0.41 -1.30 -0.54 0.00 0.00 0.00 0.00 54.91 52.66 1x0h h ALA 80 Cb 1.13 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 1x0h h ALA 80 CO 0.57 1.45 -0.35 0.08 0.00 0.00 0.00 179.25 181.00 1x0h s VAL 81 N -2.62 5.22 0.38 0.00 1.01 -1.26 -0.88 120.40 122.24 1x0h s VAL 81 Ca -0.05 -0.37 0.07 0.00 0.00 0.00 0.00 61.98 61.62 1x0h s VAL 81 Cb 0.08 -3.72 -0.07 0.00 0.00 0.00 0.00 36.38 32.67 1x0h s VAL 81 CO 0.82 -0.14 0.01 -0.32 0.00 0.00 0.00 175.10 175.47 1x0h s MET 82 N -3.24 1.87 -0.26 2.72 1.75 -0.19 -4.81 119.30 117.14 1x0h s MET 82 Ca 0.38 -2.04 0.01 0.00 -1.25 0.00 0.00 55.69 52.79 1x0h s MET 82 Cb -0.11 -1.47 0.07 0.00 2.84 0.00 0.00 34.83 36.17 1x0h s MET 82 CO 0.29 -0.06 -0.01 0.21 -0.65 0.00 0.00 175.02 174.80 1x0h s LYS 83 N -3.74 1.41 -0.16 4.11 2.47 -1.26 -3.69 119.74 118.88 1x0h s LYS 83 Ca 0.35 -1.12 -0.02 0.00 -1.56 0.00 0.00 55.97 53.61 1x0h s LYS 83 Cb 0.09 -2.57 -0.02 0.00 -1.46 0.00 0.00 37.83 33.87 1x0h s LYS 83 CO 0.17 -0.72 -0.08 -0.51 0.16 0.00 0.00 175.35 174.37 1x0h s LEU 84 N 1.37 2.91 -1.95 5.43 1.43 0.21 -4.53 118.68 123.56 1x0h s LEU 84 Ca -0.00 -0.29 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 1x0h s LEU 84 Cb -0.19 -1.69 0.00 0.00 0.03 0.00 0.00 46.19 44.34 1x0h s LEU 84 CO -0.10 0.12 0.00 0.49 0.23 0.00 0.00 176.35 177.09 1x0h n PHE 85 N 3.86 -0.46 -2.96 0.29 3.72 -1.26 -0.30 117.46 120.36 1x0h n PHE 85 Ca -0.18 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.01 1x0h n PHE 85 Cb 0.52 -3.62 0.01 0.00 -0.94 0.00 0.00 39.48 35.45 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 -5.14 0.15 4.37 8.00 -1.26 -4.60 116.55 116.51 1x0h n ASP 86 Ca -0.22 -0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.06 1x0h n ASP 86 Cb 0.67 -4.21 0.00 0.00 -0.02 0.00 0.00 41.12 37.56 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 -3.66 0.00 -1.69 -1.24 1.74 -0.76 -4.87 116.66 106.18 1x0h n ARG 87 Ca -0.11 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.54 1x0h n ARG 87 Cb 0.61 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 32.01 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 -3.09 2.12 -3.85 7.54 0.00 0.59 -1.84 120.51 121.98 1x0h n ALA 88 Ca 0.00 0.33 -0.34 0.00 0.00 0.00 0.00 53.44 53.43 1x0h n ALA 88 Cb 0.00 -2.56 -0.14 0.00 0.00 0.00 0.00 19.45 16.74 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 2.52 2.28 0.20 0.00 1.02 0.12 0.67 119.74 126.56 1x0h s LYS 89 Ca 0.82 -1.36 0.07 0.00 0.02 0.00 0.00 55.97 55.52 1x0h s LYS 89 Cb -0.51 -3.08 -0.04 0.00 -0.52 0.00 0.00 37.83 33.68 1x0h s LYS 89 CO 0.38 -0.63 0.05 0.08 -0.92 0.00 0.00 175.35 174.30 1x0h s VAL 90 N 1.17 3.91 -0.22 3.17 1.01 -1.24 -1.04 120.40 127.15 1x0h s VAL 90 Ca -0.05 -1.46 -0.28 0.00 0.00 0.00 0.00 61.98 60.18 1x0h s VAL 90 Cb -0.20 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.17 1x0h s VAL 90 CO -0.03 -0.20 0.99 0.21 0.00 0.00 0.00 175.10 176.07 1x0h s ASN 91 N -3.26 7.06 0.39 3.32 2.47 0.22 -1.02 114.94 124.12 1x0h s ASN 91 Ca 0.30 1.32 0.17 0.00 0.42 0.00 0.00 52.86 55.07 1x0h s ASN 91 Cb -0.09 -2.52 0.78 0.00 -1.45 0.00 0.00 41.25 37.98 1x0h s ASN 91 CO 0.21 -0.62 1.81 0.58 -3.72 0.00 0.00 177.10 175.35 1x0h h VAL 92 N 5.41 1.02 0.00 -5.21 2.07 -1.32 0.87 116.25 119.10 1x0h h VAL 92 Ca -0.21 -1.35 -0.13 0.00 0.82 0.00 0.00 66.70 65.83 1x0h h VAL 92 Cb 1.07 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 32.60 1x0h h VAL 92 CO 0.95 0.35 -0.61 0.78 0.02 0.00 0.00 177.57 179.06 1x0h h ASN 93 N 0.00 0.00 0.00 0.57 2.35 -1.90 -3.17 115.58 113.42 1x0h h ASN 93 Ca -0.00 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.41 1x0h h ASN 93 Cb 0.75 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.06 1x0h h ASN 93 CO 0.05 0.61 -2.28 0.18 -1.65 0.00 0.00 177.43 174.34 1x0h n LEU 94 N -3.66 0.00 -0.35 1.61 4.77 -1.06 -3.98 117.00 114.34 1x0h n LEU 94 Ca -0.01 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.99 1x0h n LEU 94 Cb 0.64 0.45 0.18 0.00 -2.33 0.00 0.00 43.42 42.36 1x0h n LEU 94 CO 0.42 0.45 1.27 0.25 -1.33 0.00 0.00 177.39 178.44 1x0h h LEU 95 N 0.00 1.02 -0.09 2.23 5.85 0.70 -1.67 115.31 123.35 1x0h h LEU 95 Ca -0.49 -0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.02 1x0h h LEU 95 Cb 2.12 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.90 1x0h h LEU 95 CO 0.03 0.68 -0.95 0.40 -0.34 0.00 0.00 178.44 178.26 1x0h h ILE 96 N 1.18 1.68 -0.45 4.05 2.04 -1.76 -3.10 117.51 121.15 1x0h h ILE 96 Ca 0.40 -3.26 -0.03 0.00 1.00 0.00 0.00 64.86 62.96 1x0h h ILE 96 Cb 0.08 2.76 -0.02 0.00 -0.74 0.00 0.00 36.82 38.90 1x0h h ILE 96 CO -0.14 0.93 0.16 0.15 0.00 0.00 0.00 178.15 179.25 1x0h h PHE 97 N 0.00 0.72 0.44 1.37 3.57 -1.49 -0.91 116.94 120.64 1x0h h PHE 97 Ca -0.01 -0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.40 1x0h h PHE 97 Cb 1.69 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 40.22 1x0h h PHE 97 CO 0.00 0.63 -0.21 1.25 -2.23 0.00 0.00 178.31 177.75 1x0h h LEU 98 N 0.59 -0.50 -2.51 0.59 5.85 -1.41 -2.91 115.31 115.01 1x0h h LEU 98 Ca 0.15 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.78 1x0h h LEU 98 Cb 0.24 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 1x0h h LEU 98 CO -0.01 -0.15 0.12 -0.07 -0.34 0.00 0.00 178.44 178.00 1x0h h LEU 99 N -0.89 0.00 -2.30 2.25 3.38 -1.56 -1.05 115.31 115.14 1x0h h LEU 99 Ca -0.06 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.95 1x0h h LEU 99 Cb 0.57 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1x0h h LEU 99 CO 0.10 0.00 0.16 -1.13 0.09 0.00 0.00 178.44 177.66 1x0h h ASN 100 N 0.00 0.00 0.00 -0.43 -0.73 -0.95 -2.14 115.58 111.33 1x0h h ASN 100 Ca 0.02 0.00 -0.08 0.00 1.87 0.00 0.00 56.30 58.11 1x0h h ASN 100 Cb 0.27 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.84 1x0h h ASN 100 CO -0.00 0.00 -1.32 0.29 -0.37 0.00 0.00 177.43 176.03 1x0h n LYS 101 N -3.73 2.72 0.00 6.67 5.02 -0.47 -4.25 118.16 124.11 1x0h n LYS 101 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1x0h n LYS 101 Cb 0.27 -1.12 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 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 -2.25 0.00 0.03 1.97 4.76 -0.74 -4.33 118.16 117.60 1x0h n LYS 102 Ca -0.08 0.31 -0.22 0.00 -2.87 0.00 0.00 58.31 55.44 1x0h n LYS 102 Cb 0.64 -1.26 -0.14 0.00 -1.84 0.00 0.00 35.03 32.42 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 0.56 -1.46 2.13 0.04 -1.81 -3.45 116.94 112.95 1x0h h PHE 103 Ca 0.00 -0.41 -0.64 0.00 2.80 0.00 0.00 57.97 59.72 1x0h h PHE 103 Cb 0.00 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.12 1x0h h PHE 103 CO 0.07 1.67 1.42 0.66 -0.60 0.00 0.00 178.31 181.54 1x0h n TYR 104 N -3.69 1.77 0.00 -0.55 4.01 -0.82 -4.20 117.16 113.68 1x0h n TYR 104 Ca -0.27 0.12 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 1x0h n TYR 104 Cb 1.01 -2.61 0.00 0.00 -0.31 0.00 0.00 39.34 37.43 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 6.14 -2.25 5.19 2.72 0.00 -1.26 -4.41 105.19 111.32 1x0h n GLY 105 Ca 0.36 0.75 0.00 0.00 0.00 0.00 0.00 46.02 47.14 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 -1.26 0.00 -0.10 1.61 4.76 -1.26 -3.06 118.16 118.85 1x0h n LYS 106 Ca 0.00 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.34 1x0h n LYS 106 Cb 0.00 0.00 0.05 0.00 -1.84 0.00 0.00 35.03 33.24 1x0h n LYS 106 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1x0h h SER 107 N 0.00 0.87 -4.93 4.39 4.64 -1.98 -3.50 113.55 113.05 1x0h h SER 107 Ca 0.00 -0.34 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1x0h h SER 107 Cb 0.00 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 61.85 1x0h h SER 107 CO 0.00 1.09 0.00 0.61 -0.87 0.00 0.00 176.83 177.66 1x0h n GLY 108 N -0.10 1.92 3.69 -0.77 0.00 -1.17 -4.95 105.19 103.81 1x0h n GLY 108 Ca -0.01 -1.87 -0.52 0.00 0.00 0.00 0.00 46.02 43.63 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 1.74 1.77 -3.65 1.61 -0.02 -1.26 -4.93 135.00 130.26 1x0h n PRO 109 Ca 0.00 0.65 -0.00 0.00 -2.02 0.00 0.00 63.50 62.12 1x0h n PRO 109 Cb 0.00 -2.43 -0.06 0.00 -0.02 0.00 0.00 33.50 30.99 1x0h n PRO 109 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1x0h s SER 110 N 3.73 -0.16 0.06 2.55 0.15 -1.26 -5.10 113.70 113.68 1x0h s SER 110 Ca 0.94 0.26 -0.00 0.00 0.70 0.00 0.00 55.95 57.85 1x0h s SER 110 Cb -0.84 0.81 -0.00 0.00 -1.71 0.00 0.00 66.02 64.28 1x0h s SER 110 CO 0.57 -0.04 -0.01 -1.20 1.20 0.00 0.00 173.24 173.76 1x0h n SER 111 N 2.75 0.80 0.00 5.45 7.64 -1.26 -5.20 113.62 123.80 1x0h n SER 111 Ca -0.15 0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.83 1x0h n SER 111 Cb 0.57 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 1x0h n SER 111 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64