#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kdh s SER 3 N 0.00 4.85 -0.11 4.04 0.01 0.01 -4.94 113.70 117.55 3kdh s SER 3 Ca 0.00 -0.19 -0.13 0.00 1.31 0.00 0.00 55.95 56.94 3kdh s SER 3 Cb 0.00 -1.12 -0.05 0.00 0.21 0.00 0.00 66.02 65.06 3kdh s SER 3 CO 0.00 0.21 0.30 -0.55 0.41 0.00 0.00 173.24 173.61 3kdh s SER 4 N -2.04 6.52 0.51 2.44 0.15 -1.26 -1.13 113.70 118.90 3kdh s SER 4 Ca 0.23 0.61 -0.19 0.00 0.70 0.00 0.00 55.95 57.30 3kdh s SER 4 Cb -0.11 -2.18 -0.07 0.00 -1.71 0.00 0.00 66.02 61.94 3kdh s SER 4 CO 0.15 0.20 1.04 -2.84 1.20 0.00 0.00 173.24 172.99 3kdh s PRO 5 N -0.14 3.67 0.34 5.44 0.02 -1.26 -4.98 135.00 138.08 3kdh s PRO 5 Ca 0.18 1.32 -0.29 0.00 0.02 0.00 0.00 61.00 62.24 3kdh s PRO 5 Cb -0.14 -2.08 -0.11 0.00 0.02 0.00 0.00 34.50 32.20 3kdh s PRO 5 CO 0.06 -0.53 1.43 0.00 -0.33 0.00 0.00 177.00 177.63 3kdh s ALA 6 N -2.11 3.57 -0.20 -1.55 0.00 -1.26 -5.01 121.76 115.21 3kdh s ALA 6 Ca 0.66 1.45 -0.02 0.00 0.00 0.00 0.00 51.96 54.05 3kdh s ALA 6 Cb -0.16 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.39 3kdh s ALA 6 CO 0.25 -0.88 -0.11 0.08 0.00 0.00 0.00 175.76 175.09 3kdh s VAL 7 N -0.91 2.86 0.01 0.00 1.01 -1.26 -4.55 120.40 117.56 3kdh s VAL 7 Ca 0.53 -0.67 0.07 0.00 0.00 0.00 0.00 61.98 61.91 3kdh s VAL 7 Cb -0.44 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.66 3kdh s VAL 7 CO 0.56 0.48 -0.21 -0.75 0.00 0.00 0.00 175.10 175.18 3kdh s LYS 8 N 1.28 1.59 0.00 2.72 2.20 -1.26 -4.79 119.74 121.49 3kdh s LYS 8 Ca 0.03 -0.85 0.00 0.00 -0.36 0.00 0.00 55.97 54.80 3kdh s LYS 8 Cb -0.14 -1.62 0.00 0.00 -1.51 0.00 0.00 37.83 34.56 3kdh s LYS 8 CO -0.06 0.43 0.00 0.41 -0.36 0.00 0.00 175.35 175.78 3kdh n GLY 9 N 2.24 0.80 3.33 5.54 0.00 -1.26 -4.43 105.19 111.41 3kdh n GLY 9 Ca -0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 3kdh n GLY 9 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kdh s LEU 10 N 0.00 2.34 0.84 0.99 1.43 -1.26 -4.92 118.68 118.10 3kdh s LEU 10 Ca 0.00 -0.75 -0.11 0.00 -1.03 0.00 0.00 54.13 52.24 3kdh s LEU 10 Cb 0.00 -0.99 0.09 0.00 0.03 0.00 0.00 46.19 45.33 3kdh s LEU 10 CO 0.00 0.08 1.09 0.42 0.23 0.00 0.00 176.35 178.17 3kdh s THR 11 N -1.32 2.97 0.21 5.49 -4.23 -1.26 -4.82 115.64 112.68 3kdh s THR 11 Ca 0.11 0.31 -0.09 0.00 -1.18 0.00 0.00 61.69 60.84 3kdh s THR 11 Cb -0.09 -2.84 0.14 0.00 1.34 0.00 0.00 72.50 71.05 3kdh s THR 11 CO 0.06 -0.41 1.80 0.44 -0.54 0.00 0.00 174.62 175.96 3kdh h ASP 12 N -1.33 0.49 -0.32 3.99 3.45 -2.00 -1.07 116.42 119.62 3kdh h ASP 12 Ca -0.47 0.04 -0.10 0.00 0.43 0.00 0.00 57.03 56.93 3kdh h ASP 12 Cb 1.26 -0.05 -0.02 0.00 -0.56 0.00 0.00 39.33 39.96 3kdh h ASP 12 CO 0.54 0.31 -0.14 -0.33 -1.57 0.00 0.00 179.24 178.06 3kdh h GLU 13 N 0.63 0.77 -0.49 3.56 3.07 -1.99 -1.22 114.58 118.90 3kdh h GLU 13 Ca 0.30 -0.27 -0.05 0.00 -0.50 0.00 0.00 59.36 58.84 3kdh h GLU 13 Cb 0.23 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.06 3kdh h GLU 13 CO -0.21 0.86 0.09 0.93 -1.40 0.00 0.00 179.01 179.29 3kdh h GLU 14 N 0.69 0.80 -0.86 2.33 5.08 -1.83 -1.86 114.58 118.92 3kdh h GLU 14 Ca 0.11 -0.21 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 3kdh h GLU 14 Cb 0.62 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 3kdh h GLU 14 CO 0.04 0.79 0.44 1.96 -1.00 0.00 0.00 179.01 181.24 3kdh h GLN 15 N 0.67 1.23 -0.30 2.33 4.20 -0.89 -0.24 115.11 122.11 3kdh h GLN 15 Ca 0.15 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 3kdh h GLN 15 Cb 0.37 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 3kdh h GLN 15 CO 0.01 0.92 0.10 -0.22 -0.67 0.00 0.00 178.83 178.97 3kdh h LYS 16 N 1.22 0.47 -0.76 1.46 3.64 -1.08 -1.27 116.57 120.25 3kdh h LYS 16 Ca 0.30 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.56 3kdh h LYS 16 Cb 0.08 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 3kdh h LYS 16 CO -0.04 0.51 0.40 1.15 -2.27 0.00 0.00 179.45 179.20 3kdh h THR 17 N 0.33 1.23 -0.01 1.00 2.02 -0.99 -2.82 112.91 113.67 3kdh h THR 17 Ca 0.10 -0.60 0.00 0.00 0.77 0.00 0.00 66.41 66.68 3kdh h THR 17 Cb 0.24 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 3kdh h THR 17 CO -0.00 0.26 -0.19 0.18 0.37 0.00 0.00 175.52 176.14 3kdh n LEU 18 N -4.34 0.75 -0.14 2.58 4.77 -0.13 -4.35 117.00 116.14 3kdh n LEU 18 Ca 0.08 -0.13 -0.04 0.00 -0.03 0.00 0.00 56.01 55.89 3kdh n LEU 18 Cb 0.11 -0.16 0.02 0.00 -2.33 0.00 0.00 43.42 41.07 3kdh n LEU 18 CO 0.38 0.14 0.72 -0.08 -1.33 0.00 0.00 177.39 177.23 3kdh h GLU 19 N 0.88 -0.09 -0.53 3.23 4.81 -0.96 0.41 114.58 122.33 3kdh h GLU 19 Ca 0.00 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 3kdh h GLU 19 Cb 0.44 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.81 3kdh h GLU 19 CO 0.00 -0.06 0.27 -1.35 -0.73 0.00 0.00 179.01 177.13 3kdh h PRO 20 N -0.09 0.73 -0.05 0.92 0.11 -1.81 -0.33 132.00 131.48 3kdh h PRO 20 Ca 0.22 -0.08 -0.00 0.00 0.11 0.00 0.00 66.00 66.24 3kdh h PRO 20 Cb 0.43 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.39 3kdh h PRO 20 CO -0.52 0.56 0.01 0.28 -0.21 0.00 0.00 178.00 178.13 3kdh h VAL 21 N 0.74 1.17 -0.58 3.15 2.07 -1.49 -1.14 116.25 120.17 3kdh h VAL 21 Ca 0.19 -0.52 0.01 0.00 0.82 0.00 0.00 66.70 67.20 3kdh h VAL 21 Cb 0.06 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 3kdh h VAL 21 CO -0.03 0.14 0.38 0.40 0.02 0.00 0.00 177.57 178.49 3kdh h ILE 22 N -0.12 1.13 -0.10 4.57 2.04 -0.63 -0.66 117.51 123.74 3kdh h ILE 22 Ca 0.01 -0.27 -0.07 0.00 1.00 0.00 0.00 64.86 65.54 3kdh h ILE 22 Cb 0.22 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 3kdh h ILE 22 CO -0.00 0.14 -0.26 0.50 0.00 0.00 0.00 178.15 178.53 3kdh h LYS 23 N 0.77 0.19 0.08 2.37 1.63 -0.99 -0.96 116.57 119.66 3kdh h LYS 23 Ca 0.22 -0.06 -0.12 0.00 -0.85 0.00 0.00 60.65 59.84 3kdh h LYS 23 Cb -0.07 -0.02 0.01 0.00 -0.60 0.00 0.00 32.23 31.56 3kdh h LYS 23 CO -0.06 0.44 -0.52 1.15 -3.45 0.00 0.00 179.45 177.02 3kdh h THR 24 N 0.17 1.59 0.00 1.00 2.02 -0.79 -3.42 112.91 113.48 3kdh h THR 24 Ca 0.03 -2.40 0.00 0.00 0.77 0.00 0.00 66.41 64.81 3kdh h THR 24 Cb 0.56 3.17 0.00 0.00 -1.74 0.00 0.00 68.15 70.15 3kdh h THR 24 CO 0.04 0.66 -1.09 -1.22 0.37 0.00 0.00 175.52 174.29 3kdh n TYR 25 N -4.30 0.00 -1.20 3.16 4.01 -0.29 -4.76 117.16 113.79 3kdh n TYR 25 Ca -0.12 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.70 3kdh n TYR 25 Cb 0.69 -0.11 0.17 0.00 -0.31 0.00 0.00 39.34 39.77 3kdh n TYR 25 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3kdh n HIS 26 N -1.60 0.14 -1.81 -0.72 8.25 -0.37 -4.91 115.22 114.19 3kdh n HIS 26 Ca -0.01 -1.12 -0.32 0.00 -0.26 0.00 0.00 57.72 56.00 3kdh n HIS 26 Cb 0.15 -0.20 0.04 0.00 1.12 0.00 0.00 29.99 31.09 3kdh n HIS 26 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3kdh s GLN 27 N -2.97 2.98 0.25 -0.41 -1.52 -1.20 -4.48 119.66 112.31 3kdh s GLN 27 Ca 0.35 1.25 0.06 0.00 -1.95 0.00 0.00 55.36 55.07 3kdh s GLN 27 Cb 0.31 -1.98 -0.05 0.00 -0.22 0.00 0.00 33.01 31.06 3kdh s GLN 27 CO 0.01 -1.09 -0.07 -0.59 -0.25 0.00 0.00 175.29 173.30 3kdh s PHE 28 N -2.51 1.79 -0.26 0.91 -0.12 -0.28 -4.93 117.98 112.58 3kdh s PHE 28 Ca 0.64 -0.71 0.02 0.00 -0.05 0.00 0.00 56.93 56.83 3kdh s PHE 28 Cb -0.18 -0.98 0.05 0.00 -0.63 0.00 0.00 43.02 41.29 3kdh s PHE 28 CO 0.42 0.23 -0.10 -2.00 -0.05 0.00 0.00 175.22 173.73 3kdh s GLU 29 N -3.73 2.38 0.29 1.99 2.12 -1.26 -0.81 118.70 119.68 3kdh s GLU 29 Ca 0.27 -1.26 -0.29 0.00 0.36 0.00 0.00 54.97 54.05 3kdh s GLU 29 Cb 0.03 -2.91 -0.14 0.00 0.26 0.00 0.00 34.13 31.37 3kdh s GLU 29 CO 0.10 -0.53 1.16 -2.30 -0.54 0.00 0.00 175.26 173.14 3kdh n PRO 30 N 4.49 1.66 -3.55 4.30 -0.02 -1.26 -4.99 135.00 135.64 3kdh n PRO 30 Ca -0.15 0.58 -0.00 0.00 -2.02 0.00 0.00 63.50 61.91 3kdh n PRO 30 Cb 0.43 -2.07 -0.04 0.00 -0.02 0.00 0.00 33.50 31.81 3kdh n PRO 30 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3kdh s ASP 31 N -0.32 -0.89 0.65 2.55 -1.08 -1.26 -5.02 116.67 111.30 3kdh s ASP 31 Ca 0.60 1.23 0.39 0.00 -0.52 0.00 0.00 52.55 54.26 3kdh s ASP 31 Cb -0.67 1.97 2.17 0.00 -1.46 0.00 0.00 42.92 44.94 3kdh s ASP 31 CO 0.59 -0.17 2.26 -0.65 0.52 0.00 0.00 175.17 177.72 3kdh h PRO 32 N 7.70 0.00 0.00 4.34 0.11 -2.03 -0.99 132.00 141.12 3kdh h PRO 32 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 3kdh h PRO 32 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3kdh h PRO 32 CO 0.10 0.00 -0.57 0.25 -0.21 0.00 0.00 178.00 177.57 3kdh n THR 33 N -3.20 0.01 -4.51 -1.15 -2.24 -1.26 -4.93 114.28 97.01 3kdh n THR 33 Ca -0.02 -0.01 -0.24 0.00 -2.27 0.00 0.00 64.05 61.50 3kdh n THR 33 Cb 0.14 0.32 -0.11 0.00 -2.10 0.00 0.00 70.33 68.59 3kdh n THR 33 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3kdh s THR 34 N -3.01 1.90 0.01 4.28 -4.23 -0.38 -0.84 115.64 113.36 3kdh s THR 34 Ca 0.10 -2.12 0.07 0.00 -1.18 0.00 0.00 61.69 58.56 3kdh s THR 34 Cb 0.17 -2.66 -0.02 0.00 1.34 0.00 0.00 72.50 71.33 3kdh s THR 34 CO 0.72 -0.18 -0.22 0.00 -0.54 0.00 0.00 174.62 174.41 3kdh s THR 36 N -0.62 0.74 -0.04 0.00 -4.23 -1.26 -1.54 115.64 108.69 3kdh s THR 36 Ca 0.08 -1.67 -0.29 0.00 -1.18 0.00 0.00 61.69 58.64 3kdh s THR 36 Cb -0.09 -1.36 0.10 0.00 1.34 0.00 0.00 72.50 72.49 3kdh s THR 36 CO 0.00 -0.67 0.84 -0.55 -0.54 0.00 0.00 174.62 173.69 3kdh s SER 37 N -2.56 -0.46 -0.13 3.99 0.15 -1.10 -5.00 113.70 108.59 3kdh s SER 37 Ca 0.05 0.28 0.02 0.00 0.70 0.00 0.00 55.95 57.00 3kdh s SER 37 Cb -0.00 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.73 3kdh s SER 37 CO -0.02 -0.58 -0.19 -0.22 1.20 0.00 0.00 173.24 173.43 3kdh s LEU 38 N -1.82 2.31 -0.04 3.45 2.96 -1.26 -1.92 118.68 122.36 3kdh s LEU 38 Ca -0.01 -0.51 0.05 0.00 -0.22 0.00 0.00 54.13 53.43 3kdh s LEU 38 Cb -0.01 -1.50 -0.03 0.00 0.50 0.00 0.00 46.19 45.16 3kdh s LEU 38 CO -0.02 0.11 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.32 3kdh s ILE 39 N 0.63 2.84 0.15 6.68 -1.09 0.39 -4.75 121.20 126.06 3kdh s ILE 39 Ca -0.10 -0.83 0.11 0.00 -2.23 0.00 0.00 60.65 57.60 3kdh s ILE 39 Cb -0.16 -2.10 -0.04 0.00 -1.58 0.00 0.00 42.46 38.58 3kdh s ILE 39 CO 0.02 0.57 -0.26 0.42 -1.23 0.00 0.00 174.94 174.47 3kdh s THR 40 N -0.72 2.28 -0.14 2.92 -4.23 -1.26 -0.82 115.64 113.67 3kdh s THR 40 Ca 0.11 -1.86 -0.06 0.00 -1.18 0.00 0.00 61.69 58.70 3kdh s THR 40 Cb -0.10 -2.04 0.06 0.00 1.34 0.00 0.00 72.50 71.76 3kdh s THR 40 CO 0.00 0.00 0.31 -1.58 -0.54 0.00 0.00 174.62 172.82 3kdh s GLN 41 N -2.30 0.24 -0.10 3.99 2.00 -0.52 -5.00 119.66 117.97 3kdh s GLN 41 Ca 0.16 0.75 -0.17 0.00 -2.00 0.00 0.00 55.36 54.11 3kdh s GLN 41 Cb -0.09 0.01 -0.05 0.00 0.80 0.00 0.00 33.01 33.69 3kdh s GLN 41 CO 0.07 -0.23 0.45 0.50 -0.50 0.00 0.00 175.29 175.59 3kdh s ARG 42 N 1.99 4.26 -0.08 1.67 3.52 -1.26 -1.00 118.95 128.05 3kdh s ARG 42 Ca -0.04 0.42 0.01 0.00 -0.13 0.00 0.00 55.73 55.99 3kdh s ARG 42 Cb -0.11 -3.39 0.02 0.00 -1.56 0.00 0.00 34.95 29.90 3kdh s ARG 42 CO -0.10 0.27 -0.11 0.42 -0.81 0.00 0.00 175.30 174.97 3kdh s ILE 43 N 0.26 1.12 -1.32 4.11 1.01 0.24 -4.99 121.20 121.63 3kdh s ILE 43 Ca 0.25 -0.43 -0.11 0.00 0.00 0.00 0.00 60.65 60.36 3kdh s ILE 43 Cb -0.15 -1.06 0.13 0.00 0.01 0.00 0.00 42.46 41.39 3kdh s ILE 43 CO 0.10 0.36 1.95 1.41 0.00 0.00 0.00 174.94 178.77 3kdh n HIS 44 N 4.19 3.18 -3.58 3.97 8.25 -1.26 -0.58 115.22 129.38 3kdh n HIS 44 Ca -0.20 -2.86 -0.11 0.00 -0.26 0.00 0.00 57.72 54.30 3kdh n HIS 44 Cb 0.51 -2.12 -0.04 0.00 1.12 0.00 0.00 29.99 29.46 3kdh n HIS 44 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kdh s ALA 45 N 1.19 -1.09 0.65 -1.41 0.00 -1.26 -4.81 121.76 115.04 3kdh s ALA 45 Ca 0.42 0.08 -0.16 0.00 0.00 0.00 0.00 51.96 52.30 3kdh s ALA 45 Cb 0.10 0.74 -0.00 0.00 0.00 0.00 0.00 23.12 23.96 3kdh s ALA 45 CO -0.02 -0.67 1.14 -2.14 0.00 0.00 0.00 175.76 174.07 3kdh s PRO 46 N -3.79 2.74 0.46 0.00 0.02 -1.26 -3.12 135.00 130.05 3kdh s PRO 46 Ca 0.02 1.53 0.19 0.00 0.02 0.00 0.00 61.00 62.77 3kdh s PRO 46 Cb 0.01 -1.93 1.12 0.00 0.02 0.00 0.00 34.50 33.72 3kdh s PRO 46 CO -0.12 -1.32 1.98 0.00 -0.33 0.00 0.00 177.00 177.21 3kdh h ALA 47 N 0.18 1.45 0.00 -1.55 0.00 -1.92 -1.51 119.26 115.90 3kdh h ALA 47 Ca -0.48 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.25 3kdh h ALA 47 Cb 1.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3kdh h ALA 47 CO 0.54 0.25 0.00 -1.13 0.00 0.00 0.00 179.25 178.90 3kdh n SER 48 N -3.98 0.56 -0.12 0.00 3.41 -1.26 -0.74 113.62 111.49 3kdh n SER 48 Ca -0.02 0.69 -0.17 0.00 -0.26 0.00 0.00 58.87 59.11 3kdh n SER 48 Cb 0.28 -0.79 -0.11 0.00 -0.26 0.00 0.00 64.21 63.33 3kdh n SER 48 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3kdh n VAL 49 N -2.17 1.38 -0.07 -3.33 0.31 -0.62 -3.32 118.33 110.51 3kdh n VAL 49 Ca 0.01 -0.54 -0.11 0.00 -0.01 0.00 0.00 64.34 63.69 3kdh n VAL 49 Cb 0.14 -1.34 -0.05 0.00 -0.91 0.00 0.00 33.84 31.69 3kdh n VAL 49 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3kdh h VAL 50 N 0.00 1.23 -0.40 2.52 2.07 -1.12 -3.35 116.25 117.20 3kdh h VAL 50 Ca -0.54 -0.75 0.03 0.00 0.82 0.00 0.00 66.70 66.26 3kdh h VAL 50 Cb 1.84 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 32.90 3kdh h VAL 50 CO -0.08 0.23 0.19 -0.25 0.02 0.00 0.00 177.57 177.68 3kdh h TRP 51 N 0.14 0.34 -0.03 1.57 2.91 -1.18 -2.71 115.95 117.00 3kdh h TRP 51 Ca 0.06 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.10 3kdh h TRP 51 Cb 0.32 -0.10 -0.00 0.00 -0.51 0.00 0.00 29.16 28.87 3kdh h TRP 51 CO 0.02 0.17 0.02 -1.35 -1.03 0.00 0.00 178.44 176.27 3kdh h PRO 52 N 0.38 0.02 -0.36 2.65 0.11 -1.78 0.65 132.00 133.67 3kdh h PRO 52 Ca 0.17 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.29 3kdh h PRO 52 Cb 0.09 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.17 3kdh h PRO 52 CO -0.13 0.02 0.21 -0.07 -0.21 0.00 0.00 178.00 177.82 3kdh h LEU 53 N 0.02 0.35 -0.37 2.35 3.38 -1.64 -1.85 115.31 117.56 3kdh h LEU 53 Ca 0.01 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.80 3kdh h LEU 53 Cb 0.02 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3kdh h LEU 53 CO -0.00 0.25 -0.59 0.40 0.09 0.00 0.00 178.44 178.59 3kdh h ILE 54 N 0.43 1.30 0.00 1.22 2.04 -1.26 -3.27 117.51 117.97 3kdh h ILE 54 Ca 0.14 -1.81 -0.06 0.00 1.00 0.00 0.00 64.86 64.12 3kdh h ILE 54 Cb -0.00 1.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 3kdh h ILE 54 CO -0.06 0.58 -0.29 -0.09 0.00 0.00 0.00 178.15 178.29 3kdh h ARG 55 N 0.54 0.00 -5.95 2.37 9.65 -0.79 -3.38 114.38 116.83 3kdh h ARG 55 Ca 0.00 0.00 -0.51 0.00 -1.10 0.00 0.00 59.98 58.37 3kdh h ARG 55 Cb 1.18 0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 29.68 3kdh h ARG 55 CO 0.12 0.29 1.34 0.50 2.80 0.00 0.00 179.97 185.02 3kdh s ARG 56 N -3.73 3.29 0.40 0.20 6.06 -0.71 -4.83 118.95 119.64 3kdh s ARG 56 Ca -0.00 -0.98 0.08 0.00 -2.50 0.00 0.00 55.73 52.33 3kdh s ARG 56 Cb 0.11 -5.29 0.82 0.00 0.06 0.00 0.00 34.95 30.65 3kdh s ARG 56 CO 0.66 -2.62 1.98 0.35 -2.50 0.00 0.00 175.30 173.17 3kdh h PHE 57 N 9.99 0.39 0.00 5.12 3.57 -1.83 -2.28 116.94 131.91 3kdh h PHE 57 Ca 0.20 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.68 3kdh h PHE 57 Cb 0.99 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.61 3kdh h PHE 57 CO 1.27 0.35 0.00 -0.40 -2.23 0.00 0.00 178.31 177.31 3kdh n ASP 58 N -4.38 0.00 -2.99 0.41 3.85 -1.26 -4.29 116.55 107.90 3kdh n ASP 58 Ca 0.01 -1.02 -0.19 0.00 -0.71 0.00 0.00 54.79 52.87 3kdh n ASP 58 Cb 0.17 0.00 -0.02 0.00 -1.35 0.00 0.00 41.12 39.92 3kdh n ASP 58 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 3kdh n ASN 59 N -0.96 2.12 0.30 -1.12 4.05 -0.86 -4.59 115.26 114.19 3kdh n ASN 59 Ca 0.21 -3.18 0.18 0.00 0.45 0.00 0.00 54.58 52.24 3kdh n ASN 59 Cb 0.10 -0.58 0.88 0.00 1.23 0.00 0.00 39.78 41.41 3kdh n ASN 59 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 3kdh h PRO 60 N 2.96 0.00 0.00 1.20 0.13 -1.75 -2.97 132.00 131.57 3kdh h PRO 60 Ca 0.09 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3kdh h PRO 60 Cb 0.89 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.02 3kdh h PRO 60 CO 0.60 0.03 -0.00 1.49 -0.23 0.00 0.00 178.00 179.90 3kdh h GLU 61 N 0.00 0.00 0.00 0.86 4.22 -1.91 -0.64 114.58 117.11 3kdh h GLU 61 Ca -0.00 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.43 3kdh h GLU 61 Cb 0.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 3kdh h GLU 61 CO 0.00 0.00 -0.06 0.00 -2.18 0.00 0.00 179.01 176.77 3kdh h ARG 62 N 0.00 0.00 0.00 1.92 3.08 -1.92 -3.21 114.38 114.25 3kdh h ARG 62 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kdh h ARG 62 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3kdh h ARG 62 CO 0.00 0.06 0.00 2.48 -1.07 0.00 0.00 179.97 181.44 3kdh n TYR 63 N -3.42 0.00 -4.48 3.04 0.18 -0.69 -4.74 117.16 107.05 3kdh n TYR 63 Ca -0.02 -0.13 -0.23 0.00 1.88 0.00 0.00 57.90 59.40 3kdh n TYR 63 Cb 0.21 -0.01 -0.14 0.00 -0.38 0.00 0.00 39.34 39.02 3kdh n TYR 63 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 3kdh s LYS 64 N -0.26 1.17 0.56 -3.48 1.02 -0.33 -3.68 119.74 114.74 3kdh s LYS 64 Ca 0.00 -0.89 -0.07 0.00 0.02 0.00 0.00 55.97 55.03 3kdh s LYS 64 Cb 0.00 -1.26 -0.01 0.00 -0.52 0.00 0.00 37.83 36.04 3kdh s LYS 64 CO 0.00 0.31 0.89 -1.01 -0.92 0.00 0.00 175.35 174.62 3kdh s HIS 65 N -0.87 3.41 -1.07 3.18 3.76 -1.26 -4.39 115.29 118.06 3kdh s HIS 65 Ca 0.05 0.80 0.00 0.00 -0.15 0.00 0.00 55.06 55.76 3kdh s HIS 65 Cb -0.09 -2.60 0.00 0.00 1.11 0.00 0.00 32.58 31.00 3kdh s HIS 65 CO 0.02 -0.64 0.00 1.19 -0.85 0.00 0.00 174.74 174.46 3kdh n PHE 66 N -2.52 0.00 -3.52 1.40 3.72 -1.26 -4.99 117.46 110.29 3kdh n PHE 66 Ca 0.03 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.06 3kdh n PHE 66 Cb 0.56 -1.95 -0.08 0.00 -0.94 0.00 0.00 39.48 37.07 3kdh n PHE 66 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3kdh s VAL 67 N -2.35 5.28 -0.20 -4.37 1.01 -1.26 -0.95 120.40 117.55 3kdh s VAL 67 Ca 0.00 0.50 0.07 0.00 0.00 0.00 0.00 61.98 62.55 3kdh s VAL 67 Cb 0.00 -3.63 -0.21 0.00 0.00 0.00 0.00 36.38 32.54 3kdh s VAL 67 CO 0.00 0.33 0.03 1.17 0.00 0.00 0.00 175.10 176.62 3kdh n LYS 68 N 4.11 0.68 -3.52 2.72 4.81 0.11 -4.93 118.16 122.13 3kdh n LYS 68 Ca -0.11 0.12 -0.17 0.00 -0.87 0.00 0.00 58.31 57.27 3kdh n LYS 68 Cb 0.52 -1.57 -0.06 0.00 0.02 0.00 0.00 35.03 33.94 3kdh n LYS 68 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 3kdh s ARG 69 N -2.52 1.03 -0.12 1.64 3.52 -1.16 -4.98 118.95 116.36 3kdh s ARG 69 Ca -0.22 0.24 -0.10 0.00 -0.13 0.00 0.00 55.73 55.53 3kdh s ARG 69 Cb 0.08 0.48 0.04 0.00 -1.56 0.00 0.00 34.95 33.99 3kdh s ARG 69 CO 0.72 -0.32 0.31 0.00 -0.81 0.00 0.00 175.30 175.20 3kdh s ARG 71 N 0.50 0.77 0.05 0.00 1.70 -0.89 -4.94 118.95 116.14 3kdh s ARG 71 Ca -0.03 -0.37 -0.30 0.00 -0.47 0.00 0.00 55.73 54.56 3kdh s ARG 71 Cb -0.04 0.34 -0.05 0.00 -0.57 0.00 0.00 34.95 34.62 3kdh s ARG 71 CO -0.03 -0.23 1.09 -0.51 -1.08 0.00 0.00 175.30 174.54 3kdh s LEU 72 N -1.77 4.39 -0.01 -1.89 1.43 -1.26 -0.32 118.68 119.25 3kdh s LEU 72 Ca -0.08 1.88 0.20 0.00 -1.03 0.00 0.00 54.13 55.09 3kdh s LEU 72 Cb -0.02 -3.58 -0.25 0.00 0.03 0.00 0.00 46.19 42.37 3kdh s LEU 72 CO -0.00 -0.34 0.68 2.30 0.23 0.00 0.00 176.35 179.22 3kdh n ILE 73 N 3.69 0.00 -3.64 -0.59 -5.35 0.13 -4.91 119.36 108.70 3kdh n ILE 73 Ca 0.07 -0.20 -0.15 0.00 -0.27 0.00 0.00 62.75 62.19 3kdh n ILE 73 Cb 0.48 0.63 -0.07 0.00 -1.74 0.00 0.00 39.64 38.94 3kdh n ILE 73 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3kdh s SER 74 N -3.41 -0.47 0.00 7.28 1.04 -1.11 -4.98 113.70 112.04 3kdh s SER 74 Ca 0.02 0.55 0.00 0.00 0.48 0.00 0.00 55.95 57.00 3kdh s SER 74 Cb 0.14 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.82 3kdh s SER 74 CO 0.82 -0.48 0.00 0.61 0.98 0.00 0.00 173.24 175.17 3kdh n GLY 75 N 1.36 -0.96 0.00 7.32 0.00 -1.26 -1.23 105.19 110.43 3kdh n GLY 75 Ca -0.19 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.18 3kdh n GLY 75 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kdh n ASP 76 N -0.88 1.12 0.00 1.61 2.03 -1.26 -4.92 116.55 114.25 3kdh n ASP 76 Ca 0.00 -1.52 0.00 0.00 0.52 0.00 0.00 54.79 53.79 3kdh n ASP 76 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 3kdh n ASP 76 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kdh n GLY 77 N -0.26 1.32 4.02 0.27 0.00 -1.26 -5.06 105.19 104.22 3kdh n GLY 77 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 3kdh n GLY 77 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kdh s ASP 78 N -1.62 4.68 0.23 1.61 -0.00 -1.26 -4.65 116.67 115.66 3kdh s ASP 78 Ca 0.00 -0.75 -0.31 0.00 -0.00 0.00 0.00 52.55 51.49 3kdh s ASP 78 Cb 0.00 0.37 -0.14 0.00 -0.00 0.00 0.00 42.92 43.15 3kdh s ASP 78 CO 0.00 -1.66 1.23 1.33 -0.00 0.00 0.00 175.17 176.07 3kdh n VAL 79 N -2.54 1.20 0.00 -1.27 0.24 -1.26 -1.39 118.33 113.31 3kdh n VAL 79 Ca 0.17 -0.30 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 3kdh n VAL 79 Cb 0.62 -1.15 0.00 0.00 -1.47 0.00 0.00 33.84 31.84 3kdh n VAL 79 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kdh n GLY 80 N 1.83 3.18 3.75 7.63 0.00 0.30 -5.03 105.19 116.85 3kdh n GLY 80 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 3kdh n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kdh s SER 81 N -1.19 5.24 -0.11 1.61 0.01 -0.48 -4.71 113.70 114.07 3kdh s SER 81 Ca 0.00 2.69 0.02 0.00 1.31 0.00 0.00 55.95 59.97 3kdh s SER 81 Cb 0.00 -2.63 0.01 0.00 0.21 0.00 0.00 66.02 63.61 3kdh s SER 81 CO 0.00 -1.58 -0.18 -0.69 0.41 0.00 0.00 173.24 171.20 3kdh s VAL 82 N -1.35 1.65 0.03 3.43 1.01 -0.36 -0.96 120.40 123.85 3kdh s VAL 82 Ca 0.73 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.98 3kdh s VAL 82 Cb -0.38 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 3kdh s VAL 82 CO 0.45 0.47 0.01 0.00 0.00 0.00 0.00 175.10 176.03 3kdh s ARG 83 N 0.81 2.75 -0.28 2.72 1.70 0.21 -0.69 118.95 126.17 3kdh s ARG 83 Ca -0.10 -0.67 -0.09 0.00 -0.47 0.00 0.00 55.73 54.40 3kdh s ARG 83 Cb -0.16 -2.65 -0.03 0.00 -0.57 0.00 0.00 34.95 31.55 3kdh s ARG 83 CO 0.01 0.60 0.13 -1.21 -1.08 0.00 0.00 175.30 173.75 3kdh s GLU 84 N -1.83 3.63 -0.19 3.89 2.02 0.57 -1.06 118.70 125.72 3kdh s GLU 84 Ca 0.22 -0.52 -0.04 0.00 0.02 0.00 0.00 54.97 54.65 3kdh s GLU 84 Cb -0.12 -3.50 -0.02 0.00 0.10 0.00 0.00 34.13 30.59 3kdh s GLU 84 CO 0.13 -0.26 -0.02 0.08 0.02 0.00 0.00 175.26 175.21 3kdh s VAL 85 N 1.65 3.79 -0.25 2.63 1.01 1.00 -2.10 120.40 128.13 3kdh s VAL 85 Ca 0.06 -0.37 -0.13 0.00 0.00 0.00 0.00 61.98 61.54 3kdh s VAL 85 Cb -0.16 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 3kdh s VAL 85 CO 0.06 0.44 0.29 -0.89 0.00 0.00 0.00 175.10 175.01 3kdh s THR 86 N 0.93 5.25 0.04 3.92 2.01 0.84 0.56 115.64 129.19 3kdh s THR 86 Ca 0.00 0.43 0.08 0.00 0.31 0.00 0.00 61.69 62.52 3kdh s THR 86 Cb -0.14 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.71 3kdh s THR 86 CO 0.01 0.24 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.26 3kdh s VAL 87 N 1.60 2.38 0.21 3.82 1.01 0.26 0.08 120.40 129.75 3kdh s VAL 87 Ca 0.12 -1.31 0.07 0.00 0.00 0.00 0.00 61.98 60.86 3kdh s VAL 87 Cb -0.15 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 3kdh s VAL 87 CO 0.08 0.36 0.12 0.27 0.00 0.00 0.00 175.10 175.93 3kdh s ILE 88 N -0.85 4.24 0.00 2.22 -4.36 -0.13 -1.87 121.20 120.46 3kdh s ILE 88 Ca 0.13 -1.34 0.00 0.00 -0.26 0.00 0.00 60.65 59.18 3kdh s ILE 88 Cb -0.10 -3.22 0.00 0.00 1.25 0.00 0.00 42.46 40.39 3kdh s ILE 88 CO 0.03 -0.22 0.00 -1.54 0.24 0.00 0.00 174.94 173.45 3kdh n SER 89 N -0.66 0.00 0.28 4.36 3.41 -1.26 -4.87 113.62 114.88 3kdh n SER 89 Ca -0.08 -0.41 0.16 0.00 -0.26 0.00 0.00 58.87 58.28 3kdh n SER 89 Cb 0.56 0.00 0.75 0.00 -0.26 0.00 0.00 64.21 65.26 3kdh n SER 89 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3kdh h GLY 90 N 0.00 0.00 -2.02 5.00 0.00 -2.04 -3.44 103.07 100.57 3kdh h GLY 90 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.89 3kdh h GLY 90 CO 0.00 0.00 -0.07 1.08 0.00 0.00 0.00 176.54 177.55 3kdh s LEU 91 N -6.53 3.43 0.81 3.11 1.43 -1.26 -5.06 118.68 114.60 3kdh s LEU 91 Ca -0.01 0.06 -0.13 0.00 -1.03 0.00 0.00 54.13 53.02 3kdh s LEU 91 Cb 0.11 -2.95 0.08 0.00 0.03 0.00 0.00 46.19 43.46 3kdh s LEU 91 CO 0.55 -0.96 1.21 -2.65 0.23 0.00 0.00 176.35 174.73 3kdh n PRO 92 N -2.22 0.20 -1.66 1.29 -0.02 -1.26 -4.87 135.00 126.46 3kdh n PRO 92 Ca 0.06 0.15 -0.44 0.00 -2.02 0.00 0.00 63.50 61.25 3kdh n PRO 92 Cb 0.59 -2.45 -0.01 0.00 -0.02 0.00 0.00 33.50 31.61 3kdh n PRO 92 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kdh n ALA 93 N -3.27 0.85 -2.21 3.55 0.00 -1.26 -4.77 120.51 113.39 3kdh n ALA 93 Ca 0.14 0.38 -0.12 0.00 0.00 0.00 0.00 53.44 53.83 3kdh n ALA 93 Cb 0.50 -2.20 -0.10 0.00 0.00 0.00 0.00 19.45 17.66 3kdh n ALA 93 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3kdh s SER 94 N -0.24 1.37 -0.16 0.00 1.04 -0.78 -4.95 113.70 109.99 3kdh s SER 94 Ca 0.59 -1.05 -0.05 0.00 0.48 0.00 0.00 55.95 55.92 3kdh s SER 94 Cb -0.62 0.07 -0.03 0.00 0.10 0.00 0.00 66.02 65.53 3kdh s SER 94 CO 0.59 -0.45 0.01 -0.89 0.98 0.00 0.00 173.24 173.48 3kdh s THR 95 N -3.54 4.36 -0.26 2.02 2.01 -1.26 -0.57 115.64 118.40 3kdh s THR 95 Ca 0.16 -0.20 -0.07 0.00 0.31 0.00 0.00 61.69 61.90 3kdh s THR 95 Cb 0.05 -2.93 -0.02 0.00 0.01 0.00 0.00 72.50 69.61 3kdh s THR 95 CO -0.01 0.50 0.07 -0.55 -0.69 0.00 0.00 174.62 173.94 3kdh s SER 96 N 0.18 5.11 -0.27 3.53 0.15 0.19 -4.76 113.70 117.84 3kdh s SER 96 Ca 0.01 -0.33 -0.14 0.00 0.70 0.00 0.00 55.95 56.19 3kdh s SER 96 Cb -0.13 -1.91 -0.04 0.00 -1.71 0.00 0.00 66.02 62.23 3kdh s SER 96 CO 0.02 -0.07 0.33 -0.89 1.20 0.00 0.00 173.24 173.82 3kdh s THR 97 N 1.59 5.21 -0.03 6.45 2.01 -1.26 -0.00 115.64 129.61 3kdh s THR 97 Ca 0.06 0.48 0.03 0.00 0.31 0.00 0.00 61.69 62.57 3kdh s THR 97 Cb -0.16 -3.66 -0.00 0.00 0.01 0.00 0.00 72.50 68.70 3kdh s THR 97 CO 0.03 0.19 -0.13 -1.61 -0.69 0.00 0.00 174.62 172.41 3kdh s GLU 98 N 1.93 1.24 -0.06 4.92 2.02 -0.23 -0.02 118.70 128.50 3kdh s GLU 98 Ca 0.13 -0.44 0.04 0.00 0.02 0.00 0.00 54.97 54.72 3kdh s GLU 98 Cb -0.16 -1.13 -0.02 0.00 0.10 0.00 0.00 34.13 32.92 3kdh s GLU 98 CO 0.10 0.20 -0.17 0.50 0.02 0.00 0.00 175.26 175.91 3kdh s ARG 99 N 0.02 2.62 -0.43 1.61 3.52 0.08 -0.62 118.95 125.75 3kdh s ARG 99 Ca -0.01 -0.75 -0.29 0.00 -0.13 0.00 0.00 55.73 54.55 3kdh s ARG 99 Cb -0.09 -2.36 0.02 0.00 -1.56 0.00 0.00 34.95 30.97 3kdh s ARG 99 CO 0.01 0.51 1.17 -1.17 -0.81 0.00 0.00 175.30 175.01 3kdh s LEU 100 N -0.45 3.70 -0.15 -0.88 2.96 -0.13 -1.67 118.68 122.06 3kdh s LEU 100 Ca 0.05 0.66 0.06 0.00 -0.22 0.00 0.00 54.13 54.69 3kdh s LEU 100 Cb -0.12 -3.55 -0.23 0.00 0.50 0.00 0.00 46.19 42.79 3kdh s LEU 100 CO 0.02 -1.20 0.24 -0.62 -1.32 0.00 0.00 176.35 173.46 3kdh n GLU 101 N 7.67 0.69 -3.65 1.98 -0.58 0.10 -0.54 120.64 126.30 3kdh n GLU 101 Ca 0.13 0.19 -0.12 0.00 -0.42 0.00 0.00 57.16 56.94 3kdh n GLU 101 Cb 0.48 -1.65 -0.08 0.00 -0.57 0.00 0.00 31.44 29.63 3kdh n GLU 101 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 3kdh s PHE 102 N -2.54 -0.80 -0.01 -0.32 5.36 -1.12 -4.83 117.98 113.71 3kdh s PHE 102 Ca -0.18 1.81 0.00 0.00 -0.96 0.00 0.00 56.93 57.60 3kdh s PHE 102 Cb 0.07 0.36 0.01 0.00 -0.34 0.00 0.00 43.02 43.13 3kdh s PHE 102 CO 0.76 -0.40 0.00 0.08 -1.46 0.00 0.00 175.22 174.20 3kdh s VAL 103 N 0.82 0.07 -0.29 3.12 1.01 -1.26 -0.88 120.40 122.99 3kdh s VAL 103 Ca -0.04 0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.02 3kdh s VAL 103 Cb -0.05 -0.13 0.08 0.00 0.00 0.00 0.00 36.38 36.28 3kdh s VAL 103 CO -0.06 0.07 -0.00 -0.62 0.00 0.00 0.00 175.10 174.48 3kdh s ASP 104 N 0.52 4.27 0.47 3.32 3.68 -0.38 -4.99 116.67 123.57 3kdh s ASP 104 Ca -0.05 -1.61 0.26 0.00 2.13 0.00 0.00 52.55 53.28 3kdh s ASP 104 Cb -0.07 -1.33 1.09 0.00 -1.45 0.00 0.00 42.92 41.16 3kdh s ASP 104 CO -0.01 -0.31 1.90 0.44 0.13 0.00 0.00 175.17 177.32 3kdh h ASP 105 N 7.84 0.00 0.18 -0.34 3.32 -1.97 0.19 116.42 125.64 3kdh h ASP 105 Ca -0.13 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.66 3kdh h ASP 105 Cb 1.04 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.61 3kdh h ASP 105 CO 0.46 0.18 -1.18 0.44 -1.72 0.00 0.00 179.24 177.42 3kdh h ASP 106 N 0.00 0.60 0.98 6.45 3.32 -1.96 -3.27 116.42 122.54 3kdh h ASP 106 Ca -0.00 -0.93 0.00 0.00 0.02 0.00 0.00 57.03 56.12 3kdh h ASP 106 Cb 0.63 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.98 3kdh h ASP 106 CO 0.02 1.56 -0.30 1.41 -1.72 0.00 0.00 179.24 180.21 3kdh n HIS 107 N -3.93 0.43 -3.21 4.55 8.25 -1.21 -4.98 115.22 115.12 3kdh n HIS 107 Ca -0.17 0.12 -0.15 0.00 -0.26 0.00 0.00 57.72 57.27 3kdh n HIS 107 Cb 0.95 -0.62 0.07 0.00 1.12 0.00 0.00 29.99 31.51 3kdh n HIS 107 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3kdh n ARG 108 N -1.90 -2.58 -4.84 -0.41 1.74 0.61 -4.44 116.66 104.84 3kdh n ARG 108 Ca 0.05 0.84 -0.26 0.00 -0.77 0.00 0.00 57.85 57.71 3kdh n ARG 108 Cb 0.40 -5.70 -0.16 0.00 -1.02 0.00 0.00 32.46 25.98 3kdh n ARG 108 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3kdh s VAL 109 N -3.37 1.42 -0.02 1.55 1.01 -0.76 -0.93 120.40 119.29 3kdh s VAL 109 Ca 0.40 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.66 3kdh s VAL 109 Cb -0.05 -1.21 0.02 0.00 0.00 0.00 0.00 36.38 35.14 3kdh s VAL 109 CO 0.71 0.41 -0.01 -0.22 0.00 0.00 0.00 175.10 175.99 3kdh s LEU 110 N -0.07 1.40 -0.03 3.92 0.20 -0.03 -1.24 118.68 122.82 3kdh s LEU 110 Ca -0.01 -0.05 0.05 0.00 0.69 0.00 0.00 54.13 54.81 3kdh s LEU 110 Cb -0.10 -0.24 -0.01 0.00 -0.43 0.00 0.00 46.19 45.41 3kdh s LEU 110 CO 0.01 -0.06 -0.18 -0.44 -0.29 0.00 0.00 176.35 175.40 3kdh s SER 111 N 0.73 2.16 0.09 3.68 0.01 -0.06 -0.69 113.70 119.62 3kdh s SER 111 Ca -0.08 -0.35 -0.00 0.00 1.31 0.00 0.00 55.95 56.84 3kdh s SER 111 Cb -0.11 -0.48 -0.04 0.00 0.21 0.00 0.00 66.02 65.60 3kdh s SER 111 CO -0.01 0.18 -0.02 0.72 0.41 0.00 0.00 173.24 174.52 3kdh s PHE 112 N -0.12 0.75 0.04 2.43 -0.12 -0.57 -0.73 117.98 119.66 3kdh s PHE 112 Ca -0.00 -1.07 0.01 0.00 -0.05 0.00 0.00 56.93 55.82 3kdh s PHE 112 Cb -0.10 -0.47 -0.02 0.00 -0.63 0.00 0.00 43.02 41.80 3kdh s PHE 112 CO 0.01 -0.34 -0.05 -0.98 -0.05 0.00 0.00 175.22 173.81 3kdh s ARG 113 N -3.93 0.45 -0.04 1.99 1.70 -0.67 -1.13 118.95 117.32 3kdh s ARG 113 Ca 0.14 -0.76 -0.27 0.00 -0.47 0.00 0.00 55.73 54.37 3kdh s ARG 113 Cb 0.07 -0.05 -0.03 0.00 -0.57 0.00 0.00 34.95 34.37 3kdh s ARG 113 CO -0.05 -0.02 0.85 0.08 -1.08 0.00 0.00 175.30 175.09 3kdh s VAL 114 N -1.78 4.95 -0.33 4.99 1.01 -0.08 -0.74 120.40 128.42 3kdh s VAL 114 Ca -0.10 1.77 -0.11 0.00 0.00 0.00 0.00 61.98 63.54 3kdh s VAL 114 Cb -0.07 -4.19 -0.01 0.00 0.00 0.00 0.00 36.38 32.10 3kdh s VAL 114 CO -0.02 0.19 0.20 -0.69 0.00 0.00 0.00 175.10 174.79 3kdh s VAL 115 N 0.98 5.00 0.03 2.92 1.01 0.98 -4.64 120.40 126.68 3kdh s VAL 115 Ca 0.45 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.14 3kdh s VAL 115 Cb -0.19 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.64 3kdh s VAL 115 CO 0.23 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.97 3kdh n GLY 116 N 5.05 -2.21 0.00 4.51 0.00 -1.26 -4.49 105.19 106.79 3kdh n GLY 116 Ca -0.13 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.40 3kdh n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kdh n GLY 117 N -1.13 0.20 1.64 -0.02 0.00 -1.26 -4.79 105.19 99.82 3kdh n GLY 117 Ca 0.00 -1.80 -0.12 0.00 0.00 0.00 0.00 46.02 44.10 3kdh n GLY 117 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kdh n GLU 118 N -0.27 2.74 -1.33 1.61 4.71 -1.26 -4.85 120.64 121.98 3kdh n GLU 118 Ca 0.00 -3.78 -0.30 0.00 -0.01 0.00 0.00 57.16 53.06 3kdh n GLU 118 Cb 0.00 -1.95 0.11 0.00 -1.01 0.00 0.00 31.44 28.59 3kdh n GLU 118 CO 0.00 0.00 0.00 -3.38 0.09 0.00 0.00 177.13 173.84 3kdh s HIS 119 N -3.38 2.56 0.19 -0.32 -3.43 -1.26 -4.97 115.29 104.69 3kdh s HIS 119 Ca 0.45 1.30 -0.10 0.00 -0.80 0.00 0.00 55.06 55.90 3kdh s HIS 119 Cb 0.39 -3.11 0.12 0.00 -1.43 0.00 0.00 32.58 28.55 3kdh s HIS 119 CO -0.01 -2.03 1.76 -0.09 -2.00 0.00 0.00 174.74 172.38 3kdh h ARG 120 N -1.29 1.02 -5.26 -0.38 2.43 -2.01 -3.40 114.38 105.49 3kdh h ARG 120 Ca -0.47 -0.17 -0.66 0.00 -0.81 0.00 0.00 59.98 57.86 3kdh h ARG 120 Cb 1.26 -0.17 -0.16 0.00 -0.42 0.00 0.00 29.97 30.48 3kdh h ARG 120 CO 0.55 0.83 0.03 -0.51 -1.51 0.00 0.00 179.97 179.36 3kdh s LEU 121 N -9.79 4.59 0.10 3.80 1.43 -1.26 -4.69 118.68 112.86 3kdh s LEU 121 Ca -0.13 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 52.57 3kdh s LEU 121 Cb 0.14 -2.63 -0.04 0.00 0.03 0.00 0.00 46.19 43.69 3kdh s LEU 121 CO 0.81 -0.71 0.25 -0.54 0.23 0.00 0.00 176.35 176.38 3kdh s LYS 122 N 2.62 3.45 -1.51 1.70 -0.14 -1.26 -4.52 119.74 120.07 3kdh s LYS 122 Ca 0.20 -0.49 -0.06 0.00 -1.36 0.00 0.00 55.97 54.26 3kdh s LYS 122 Cb -0.15 -3.00 0.01 0.00 -1.68 0.00 0.00 37.83 33.01 3kdh s LYS 122 CO 0.17 0.57 0.74 0.09 -0.76 0.00 0.00 175.35 176.16 3kdh n ASN 123 N -0.04 -6.09 -4.72 2.83 3.02 -1.26 -0.90 115.26 108.10 3kdh n ASN 123 Ca -0.06 -0.36 -0.42 0.00 -0.03 0.00 0.00 54.58 53.72 3kdh n ASN 123 Cb 0.52 -4.89 -0.03 0.00 -0.61 0.00 0.00 39.78 34.77 3kdh n ASN 123 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3kdh s TYR 124 N -3.21 3.07 0.01 3.10 5.04 -1.26 -4.43 117.35 119.68 3kdh s TYR 124 Ca 0.38 0.75 0.01 0.00 -2.44 0.00 0.00 57.07 55.76 3kdh s TYR 124 Cb -0.17 -3.88 -0.01 0.00 0.35 0.00 0.00 41.96 38.26 3kdh s TYR 124 CO 0.47 -3.15 -0.04 0.15 -1.34 0.00 0.00 175.55 171.64 3kdh s LYS 125 N 0.81 0.31 -0.00 4.97 1.02 -0.27 -0.90 119.74 125.68 3kdh s LYS 125 Ca 0.67 -0.27 0.01 0.00 0.02 0.00 0.00 55.97 56.41 3kdh s LYS 125 Cb -0.43 -0.22 -0.00 0.00 -0.52 0.00 0.00 37.83 36.66 3kdh s LYS 125 CO 0.34 0.05 -0.05 0.45 -0.92 0.00 0.00 175.35 175.22 3kdh s SER 126 N -0.46 0.56 -0.09 2.83 0.15 -0.29 -1.18 113.70 115.23 3kdh s SER 126 Ca -0.02 -0.09 0.02 0.00 0.70 0.00 0.00 55.95 56.56 3kdh s SER 126 Cb -0.04 -0.07 0.02 0.00 -1.71 0.00 0.00 66.02 64.22 3kdh s SER 126 CO -0.00 0.05 -0.12 -0.69 1.20 0.00 0.00 173.24 173.68 3kdh s VAL 127 N -0.08 1.21 -0.10 4.45 1.01 -0.15 -1.51 120.40 125.24 3kdh s VAL 127 Ca 0.01 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.54 3kdh s VAL 127 Cb -0.02 -1.13 0.00 0.00 0.00 0.00 0.00 36.38 35.23 3kdh s VAL 127 CO -0.00 0.38 -0.21 -0.89 0.00 0.00 0.00 175.10 174.38 3kdh s THR 128 N 0.93 1.86 0.10 3.92 2.01 0.13 -0.84 115.64 123.75 3kdh s THR 128 Ca -0.09 -0.90 0.09 0.00 0.31 0.00 0.00 61.69 61.11 3kdh s THR 128 Cb -0.15 -1.62 -0.04 0.00 0.01 0.00 0.00 72.50 70.70 3kdh s THR 128 CO 0.00 0.51 -0.22 -0.94 -0.69 0.00 0.00 174.62 173.28 3kdh s SER 129 N 0.46 3.56 -0.14 3.53 1.04 0.39 -0.85 113.70 121.70 3kdh s SER 129 Ca -0.17 -0.61 0.01 0.00 0.48 0.00 0.00 55.95 55.67 3kdh s SER 129 Cb -0.17 -0.40 0.02 0.00 0.10 0.00 0.00 66.02 65.56 3kdh s SER 129 CO 0.07 0.20 -0.16 -0.69 0.98 0.00 0.00 173.24 173.64 3kdh s VAL 130 N -1.03 1.69 -0.11 5.02 1.01 -0.11 -1.21 120.40 125.67 3kdh s VAL 130 Ca 0.15 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.40 3kdh s VAL 130 Cb -0.10 -1.55 0.02 0.00 0.00 0.00 0.00 36.38 34.75 3kdh s VAL 130 CO 0.07 0.48 -0.09 0.20 0.00 0.00 0.00 175.10 175.76 3kdh s ASN 131 N 1.22 2.12 0.05 3.32 0.01 -0.45 -4.66 114.94 116.55 3kdh s ASN 131 Ca -0.00 -0.31 -0.12 0.00 -0.71 0.00 0.00 52.86 51.71 3kdh s ASN 131 Cb -0.14 -0.85 -0.06 0.00 0.41 0.00 0.00 41.25 40.61 3kdh s ASN 131 CO -0.07 -0.09 0.42 -0.70 -1.51 0.00 0.00 177.10 175.15 3kdh s GLU 132 N 1.50 3.85 -0.14 -0.60 2.12 -1.26 -0.41 118.70 123.76 3kdh s GLU 132 Ca 0.01 0.31 0.02 0.00 0.36 0.00 0.00 54.97 55.68 3kdh s GLU 132 Cb -0.13 -3.09 0.01 0.00 0.26 0.00 0.00 34.13 31.18 3kdh s GLU 132 CO -0.06 0.61 -0.20 -0.06 -0.54 0.00 0.00 175.26 175.00 3kdh s PHE 133 N -1.27 2.54 -0.50 5.30 0.08 0.47 -4.97 117.98 119.63 3kdh s PHE 133 Ca 0.29 -1.30 0.08 0.00 0.12 0.00 0.00 56.93 56.12 3kdh s PHE 133 Cb -0.15 -1.75 0.49 0.00 -0.57 0.00 0.00 43.02 41.04 3kdh s PHE 133 CO 0.16 -0.61 1.30 1.28 -0.10 0.00 0.00 175.22 177.25 3kdh n LEU 134 N 4.17 4.08 -4.26 -0.37 4.77 -1.26 -1.29 117.00 122.84 3kdh n LEU 134 Ca -0.20 -2.08 -0.26 0.00 -0.03 0.00 0.00 56.01 53.44 3kdh n LEU 134 Cb 0.51 -0.63 -0.14 0.00 -2.33 0.00 0.00 43.42 40.83 3kdh n LEU 134 CO 0.26 0.53 -0.53 0.20 -1.33 0.00 0.00 177.39 176.52 3kdh s ASN 135 N -0.46 2.55 -0.05 -1.43 0.01 -1.25 -4.72 114.94 109.60 3kdh s ASN 135 Ca 0.33 -0.51 0.02 0.00 -0.71 0.00 0.00 52.86 51.99 3kdh s ASN 135 Cb 0.26 -0.23 0.06 0.00 0.41 0.00 0.00 41.25 41.75 3kdh s ASN 135 CO 0.09 0.19 0.54 1.67 -1.51 0.00 0.00 177.10 178.08 3kdh n GLN 136 N 1.95 0.20 0.20 -0.60 7.27 -1.25 -4.51 117.38 120.64 3kdh n GLN 136 Ca -0.17 -0.28 0.18 0.00 0.07 0.00 0.00 57.00 56.80 3kdh n GLN 136 Cb 0.53 0.27 0.79 0.00 2.41 0.00 0.00 30.24 34.25 3kdh n GLN 136 CO 0.00 0.00 0.00 0.22 0.07 0.00 0.00 177.06 177.35 3kdh h ASP 137 N 0.14 0.00 0.00 1.69 3.58 -1.94 -3.45 116.42 116.44 3kdh h ASP 137 Ca -0.12 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.33 3kdh h ASP 137 Cb 0.93 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.98 3kdh h ASP 137 CO -0.06 0.00 0.00 -0.24 -2.88 0.00 0.00 179.24 176.06 3kdh n SER 138 N -3.40 0.00 -1.06 2.28 2.88 -1.26 -4.85 113.62 108.22 3kdh n SER 138 Ca 0.03 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.54 3kdh n SER 138 Cb 0.48 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.98 3kdh n SER 138 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3kdh n GLY 139 N 0.00 2.20 3.92 0.46 0.00 -1.26 -4.91 105.19 105.60 3kdh n GLY 139 Ca 0.00 -0.16 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 3kdh n GLY 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kdh s LYS 140 N -0.74 3.54 0.22 1.61 1.02 -1.26 -5.02 119.74 119.11 3kdh s LYS 140 Ca 0.09 -0.00 0.12 0.00 0.02 0.00 0.00 55.97 56.19 3kdh s LYS 140 Cb 0.07 -2.50 -0.05 0.00 -0.52 0.00 0.00 37.83 34.84 3kdh s LYS 140 CO 0.02 -0.04 -0.22 0.14 -0.92 0.00 0.00 175.35 174.33 3kdh s VAL 141 N -2.52 2.44 0.26 3.17 -7.23 -1.26 -3.74 120.40 111.51 3kdh s VAL 141 Ca 0.45 -2.15 -0.08 0.00 -1.81 0.00 0.00 61.98 58.38 3kdh s VAL 141 Cb -0.10 -2.21 -0.01 0.00 0.56 0.00 0.00 36.38 34.62 3kdh s VAL 141 CO 0.40 -0.22 0.41 -0.72 -0.31 0.00 0.00 175.10 174.66 3kdh s TYR 142 N -1.97 0.66 0.03 2.82 1.13 -0.41 -4.32 117.35 115.28 3kdh s TYR 142 Ca 0.24 -0.97 0.07 0.00 -1.41 0.00 0.00 57.07 55.01 3kdh s TYR 142 Cb -0.07 -0.01 -0.02 0.00 -1.10 0.00 0.00 41.96 40.76 3kdh s TYR 142 CO 0.12 -0.96 -0.21 0.99 -2.51 0.00 0.00 175.55 172.98 3kdh s THR 143 N -3.84 1.71 -0.18 -3.49 2.01 0.25 -0.39 115.64 111.70 3kdh s THR 143 Ca 0.27 -1.14 -0.02 0.00 0.31 0.00 0.00 61.69 61.11 3kdh s THR 143 Cb 0.01 -1.46 -0.01 0.00 0.01 0.00 0.00 72.50 71.05 3kdh s THR 143 CO 0.12 0.28 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.54 3kdh s VAL 144 N -0.73 3.07 -0.19 3.82 1.01 0.46 -0.59 120.40 127.24 3kdh s VAL 144 Ca 0.08 -0.62 -0.09 0.00 0.00 0.00 0.00 61.98 61.35 3kdh s VAL 144 Cb -0.09 -2.34 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 3kdh s VAL 144 CO 0.01 0.48 0.10 -0.69 0.00 0.00 0.00 175.10 175.00 3kdh s VAL 145 N 1.03 5.14 -0.15 2.92 1.01 -0.17 -1.34 120.40 128.84 3kdh s VAL 145 Ca -0.00 0.09 -0.02 0.00 0.00 0.00 0.00 61.98 62.04 3kdh s VAL 145 Cb -0.15 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 3kdh s VAL 145 CO -0.01 0.45 -0.08 -0.76 0.00 0.00 0.00 175.10 174.70 3kdh s LEU 146 N 0.32 2.98 -0.12 3.92 1.43 -0.35 -1.44 118.68 125.41 3kdh s LEU 146 Ca 0.06 -0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 52.91 3kdh s LEU 146 Cb -0.12 -1.70 0.03 0.00 0.03 0.00 0.00 46.19 44.44 3kdh s LEU 146 CO -0.01 0.15 -0.03 -0.70 0.23 0.00 0.00 176.35 175.99 3kdh s GLU 147 N 0.46 1.13 0.11 1.70 2.12 0.00 -0.46 118.70 123.77 3kdh s GLU 147 Ca -0.06 -0.24 0.07 0.00 0.36 0.00 0.00 54.97 55.09 3kdh s GLU 147 Cb -0.15 -1.58 -0.04 0.00 0.26 0.00 0.00 34.13 32.62 3kdh s GLU 147 CO 0.04 -0.37 -0.06 -1.54 -0.54 0.00 0.00 175.26 172.79 3kdh s SER 148 N 1.78 4.59 0.11 -1.70 1.04 -0.02 -0.46 113.70 119.04 3kdh s SER 148 Ca 0.03 -0.34 -0.00 0.00 0.48 0.00 0.00 55.95 56.12 3kdh s SER 148 Cb -0.14 -0.94 -0.04 0.00 0.10 0.00 0.00 66.02 65.00 3kdh s SER 148 CO -0.07 0.17 0.00 -0.72 0.98 0.00 0.00 173.24 173.60 3kdh s TYR 149 N -1.31 0.82 0.01 5.02 1.13 -0.81 -0.98 117.35 121.24 3kdh s TYR 149 Ca 0.23 -1.10 0.03 0.00 -1.41 0.00 0.00 57.07 54.83 3kdh s TYR 149 Cb -0.11 -0.49 -0.01 0.00 -1.10 0.00 0.00 41.96 40.24 3kdh s TYR 149 CO 0.15 -0.37 -0.11 -0.08 -2.51 0.00 0.00 175.55 172.64 3kdh s THR 150 N -3.88 0.85 -0.02 -3.49 -1.32 -0.32 -2.70 115.64 104.75 3kdh s THR 150 Ca 0.17 -0.59 -0.19 0.00 -1.21 0.00 0.00 61.69 59.87 3kdh s THR 150 Cb 0.07 -0.73 0.04 0.00 -1.51 0.00 0.00 72.50 70.36 3kdh s THR 150 CO -0.02 0.14 0.41 0.54 -2.21 0.00 0.00 174.62 173.47 3kdh s VAL 151 N -0.44 0.04 0.27 5.08 0.11 -0.59 -1.11 120.40 123.76 3kdh s VAL 151 Ca 0.03 -0.36 -0.30 0.00 -2.93 0.00 0.00 61.98 58.42 3kdh s VAL 151 Cb -0.05 -0.72 -0.09 0.00 -1.53 0.00 0.00 36.38 33.98 3kdh s VAL 151 CO 0.00 -0.20 1.08 -1.81 -3.33 0.00 0.00 175.10 170.85 3kdh s ASP 152 N -1.32 7.31 -0.25 3.54 1.11 -0.07 -0.61 116.67 126.38 3kdh s ASP 152 Ca -0.13 2.23 -0.29 0.00 0.18 0.00 0.00 52.55 54.54 3kdh s ASP 152 Cb -0.04 -2.62 0.01 0.00 1.07 0.00 0.00 42.92 41.33 3kdh s ASP 152 CO 0.05 -0.11 1.13 -0.63 1.18 0.00 0.00 175.17 176.79 3kdh s ILE 153 N -1.11 4.48 0.59 0.77 1.01 -0.02 -4.29 121.20 122.62 3kdh s ILE 153 Ca 0.44 1.75 -0.19 0.00 0.00 0.00 0.00 60.65 62.66 3kdh s ILE 153 Cb -0.31 -4.25 -0.03 0.00 0.01 0.00 0.00 42.46 37.88 3kdh s ILE 153 CO 0.40 -0.28 1.23 -2.84 0.00 0.00 0.00 174.94 173.44 3kdh s PRO 154 N 3.50 2.94 0.20 2.79 0.02 -1.26 -4.91 135.00 138.27 3kdh s PRO 154 Ca 0.48 1.89 -0.32 0.00 0.02 0.00 0.00 61.00 63.08 3kdh s PRO 154 Cb -0.16 -1.95 -0.12 0.00 0.02 0.00 0.00 34.50 32.29 3kdh s PRO 154 CO 0.12 -1.25 1.73 -1.21 -0.33 0.00 0.00 177.00 176.06 3kdh s GLU 155 N -3.29 4.13 0.00 5.54 0.41 -1.26 -1.31 118.70 122.92 3kdh s GLU 155 Ca 0.78 2.60 0.00 0.00 -0.41 0.00 0.00 54.97 57.94 3kdh s GLU 155 Cb -0.32 -3.13 0.00 0.00 -1.78 0.00 0.00 34.13 28.90 3kdh s GLU 155 CO 0.35 -0.76 0.00 0.41 -0.49 0.00 0.00 175.26 174.77 3kdh n GLY 156 N 4.00 2.18 3.92 -1.39 0.00 -1.26 -5.06 105.19 107.57 3kdh n GLY 156 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 3kdh n GLY 156 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kdh s ASN 157 N -1.64 5.59 0.28 1.61 -0.87 -0.43 -5.11 114.94 114.37 3kdh s ASN 157 Ca 0.00 0.69 0.08 0.00 -1.57 0.00 0.00 52.86 52.06 3kdh s ASN 157 Cb 0.00 -1.69 -0.04 0.00 -0.02 0.00 0.00 41.25 39.50 3kdh s ASN 157 CO 0.00 -1.06 0.16 0.42 -2.57 0.00 0.00 177.10 174.06 3kdh s THR 158 N -2.98 3.97 0.08 1.60 -4.23 -1.26 -4.87 115.64 107.95 3kdh s THR 158 Ca 0.54 -1.54 -0.24 0.00 -1.18 0.00 0.00 61.69 59.27 3kdh s THR 158 Cb -0.11 -3.21 -0.16 0.00 1.34 0.00 0.00 72.50 70.37 3kdh s THR 158 CO 0.45 -0.31 1.70 -0.08 -0.54 0.00 0.00 174.62 175.84 3kdh h GLU 159 N 1.55 -0.10 -0.70 3.99 4.81 -1.96 -1.39 114.58 120.77 3kdh h GLU 159 Ca -0.47 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 58.75 3kdh h GLU 159 Cb 1.24 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.62 3kdh h GLU 159 CO 0.60 -0.05 0.35 0.93 -0.73 0.00 0.00 179.01 180.11 3kdh h GLU 160 N -0.13 1.00 0.02 1.92 3.07 -1.98 -0.24 114.58 118.24 3kdh h GLU 160 Ca -0.01 -0.14 -0.21 0.00 -0.50 0.00 0.00 59.36 58.50 3kdh h GLU 160 Cb 0.10 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 27.81 3kdh h GLU 160 CO 0.02 0.78 -0.96 -0.44 -1.40 0.00 0.00 179.01 177.01 3kdh h ASP 161 N 0.98 0.17 -0.23 1.42 3.32 -1.97 -0.87 116.42 119.24 3kdh h ASP 161 Ca 0.24 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 3kdh h ASP 161 Cb 0.10 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3kdh h ASP 161 CO -0.03 1.03 0.09 0.74 -1.72 0.00 0.00 179.24 179.35 3kdh h THR 162 N 0.05 1.18 -0.56 0.35 2.02 -1.04 -2.07 112.91 112.84 3kdh h THR 162 Ca -0.04 -0.54 0.02 0.00 0.77 0.00 0.00 66.41 66.61 3kdh h THR 162 Cb 1.65 1.11 -0.03 0.00 -1.74 0.00 0.00 68.15 69.13 3kdh h THR 162 CO 0.14 0.18 0.35 0.50 0.37 0.00 0.00 175.52 177.06 3kdh h LYS 163 N 0.21 0.69 -0.46 6.66 3.64 -0.99 -0.78 116.57 125.53 3kdh h LYS 163 Ca 0.08 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.47 3kdh h LYS 163 Cb 0.20 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 31.81 3kdh h LYS 163 CO -0.01 0.45 0.16 1.98 -2.27 0.00 0.00 179.45 179.77 3kdh h MET 164 N 0.71 0.32 0.41 1.90 4.05 -1.03 0.21 114.93 121.50 3kdh h MET 164 Ca 0.22 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.60 3kdh h MET 164 Cb -0.03 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 30.71 3kdh h MET 164 CO -0.07 0.21 -0.20 0.35 0.23 0.00 0.00 176.91 177.43 3kdh h PHE 165 N 0.33 -0.52 -0.60 1.39 3.57 -0.92 -1.72 116.94 118.46 3kdh h PHE 165 Ca 0.22 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.68 3kdh h PHE 165 Cb 0.22 0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.10 3kdh h PHE 165 CO -0.16 -0.24 0.29 0.28 -2.23 0.00 0.00 178.31 176.26 3kdh h VAL 166 N -0.72 1.21 -0.77 1.41 2.07 -1.03 -1.55 116.25 116.88 3kdh h VAL 166 Ca -0.06 -0.59 0.13 0.00 0.82 0.00 0.00 66.70 67.00 3kdh h VAL 166 Cb 0.51 0.49 -0.09 0.00 -1.52 0.00 0.00 31.29 30.68 3kdh h VAL 166 CO 0.09 0.24 0.35 0.44 0.02 0.00 0.00 177.57 178.72 3kdh h ASP 167 N 0.82 0.40 -0.28 0.57 5.19 -0.59 0.60 116.42 123.14 3kdh h ASP 167 Ca 0.21 0.09 -0.05 0.00 -0.62 0.00 0.00 57.03 56.65 3kdh h ASP 167 Cb 0.11 0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.65 3kdh h ASP 167 CO -0.03 0.18 -0.04 0.74 -3.12 0.00 0.00 179.24 176.98 3kdh h THR 168 N 0.54 1.27 -0.31 0.35 2.02 -0.68 -0.78 112.91 115.32 3kdh h THR 168 Ca 0.41 -1.02 -0.02 0.00 0.77 0.00 0.00 66.41 66.55 3kdh h THR 168 Cb 0.56 1.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 3kdh h THR 168 CO -0.35 0.32 0.12 0.58 0.37 0.00 0.00 175.52 176.56 3kdh h VAL 169 N 0.28 1.19 -0.33 3.16 2.07 -0.83 -0.80 116.25 120.99 3kdh h VAL 169 Ca 0.07 -0.58 0.01 0.00 0.82 0.00 0.00 66.70 67.03 3kdh h VAL 169 Cb 0.49 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 3kdh h VAL 169 CO 0.02 0.20 0.20 0.58 0.02 0.00 0.00 177.57 178.59 3kdh h VAL 170 N 0.35 1.04 -0.59 2.57 2.07 -0.83 -1.19 116.25 119.67 3kdh h VAL 170 Ca 0.10 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 3kdh h VAL 170 Cb 0.20 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 3kdh h VAL 170 CO -0.01 0.07 0.25 0.50 0.02 0.00 0.00 177.57 178.40 3kdh h LYS 171 N 0.40 0.87 -0.81 1.57 1.63 -0.97 -0.75 116.57 118.51 3kdh h LYS 171 Ca 0.13 -0.15 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 3kdh h LYS 171 Cb -0.01 -0.15 -0.04 0.00 -0.60 0.00 0.00 32.23 31.44 3kdh h LYS 171 CO -0.06 0.74 0.52 -0.07 -3.45 0.00 0.00 179.45 177.14 3kdh h LEU 172 N 0.81 0.94 -0.82 5.20 3.38 -0.83 -0.17 115.31 123.82 3kdh h LEU 172 Ca 0.20 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 58.03 3kdh h LEU 172 Cb 0.18 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3kdh h LEU 172 CO -0.02 0.70 -0.18 0.78 0.09 0.00 0.00 178.44 179.81 3kdh h ASN 173 N 1.10 0.69 -0.18 -0.43 2.35 -0.85 -1.79 115.58 116.46 3kdh h ASN 173 Ca 0.30 -0.22 -0.06 0.00 -0.55 0.00 0.00 56.30 55.76 3kdh h ASN 173 Cb -0.10 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.06 3kdh h ASN 173 CO -0.06 0.87 -0.08 -0.07 -1.65 0.00 0.00 177.43 176.44 3kdh h LEU 174 N 0.61 0.50 -0.81 1.61 3.38 -0.52 0.33 115.31 120.42 3kdh h LEU 174 Ca 0.10 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 3kdh h LEU 174 Cb 0.65 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 3kdh h LEU 174 CO 0.05 0.62 0.13 1.56 0.09 0.00 0.00 178.44 180.89 3kdh h GLN 175 N 0.49 1.03 -0.49 1.13 4.20 -0.73 -0.80 115.11 119.95 3kdh h GLN 175 Ca 0.10 -0.25 -0.07 0.00 0.06 0.00 0.00 58.65 58.49 3kdh h GLN 175 Cb 0.43 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 3kdh h GLN 175 CO 0.02 0.93 0.02 -0.22 -0.67 0.00 0.00 178.83 178.91 3kdh h LYS 176 N 0.97 0.85 -0.74 1.46 3.64 -0.67 -1.03 116.57 121.06 3kdh h LYS 176 Ca 0.20 -0.26 0.11 0.00 -1.27 0.00 0.00 60.65 59.44 3kdh h LYS 176 Cb 0.38 -0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 32.04 3kdh h LYS 176 CO 0.01 0.88 0.34 1.25 -2.27 0.00 0.00 179.45 179.66 3kdh h LEU 177 N 0.71 0.40 -0.14 5.20 5.85 -0.77 -0.09 115.31 126.47 3kdh h LEU 177 Ca 0.14 0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.96 3kdh h LEU 177 Cb 0.48 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 3kdh h LEU 177 CO 0.02 0.20 0.01 1.23 -0.34 0.00 0.00 178.44 179.56 3kdh h GLY 178 N 0.55 0.14 0.73 3.75 0.00 -0.57 -0.02 103.07 107.65 3kdh h GLY 178 Ca 0.38 0.01 0.04 0.00 0.00 0.00 0.00 47.33 47.76 3kdh h GLY 178 CO -0.32 -0.02 0.17 -2.08 0.00 0.00 0.00 176.54 174.29 3kdh h VAL 179 N 0.06 0.93 -0.58 4.60 2.07 -0.54 -0.05 116.25 122.74 3kdh h VAL 179 Ca 0.06 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 3kdh h VAL 179 Cb 0.07 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 3kdh h VAL 179 CO -0.10 0.06 0.22 0.00 0.02 0.00 0.00 177.57 177.77 3kdh h ALA 180 N 1.23 0.76 -0.04 1.67 0.00 -0.74 0.37 119.26 122.50 3kdh h ALA 180 Ca 0.17 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3kdh h ALA 180 Cb 0.12 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3kdh h ALA 180 CO -0.15 0.39 -0.54 0.00 0.00 0.00 0.00 179.25 178.94 3kdh h ALA 181 N 1.07 1.01 0.00 0.00 0.00 -0.78 -0.53 119.26 120.02 3kdh h ALA 181 Ca 0.19 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3kdh h ALA 181 Cb 0.22 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3kdh h ALA 181 CO -0.01 0.68 -0.66 1.79 0.00 0.00 0.00 179.25 181.05 3kdh h THR 182 N 0.10 0.00 0.00 0.00 1.35 -0.70 -3.43 112.91 110.23 3kdh h THR 182 Ca -0.00 -0.69 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 3kdh h THR 182 Cb 0.99 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.71 3kdh h THR 182 CO 0.08 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 173.81 3kdh n SER 183 N -2.38 0.00 -4.92 5.36 3.41 0.09 -5.07 113.62 110.11 3kdh n SER 183 Ca 0.02 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.35 3kdh n SER 183 Cb 0.48 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.40 3kdh n SER 183 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kdh s ALA 184 N 0.00 3.80 0.57 7.33 0.00 -0.21 -5.02 121.76 128.22 3kdh s ALA 184 Ca 0.00 -0.74 -0.20 0.00 0.00 0.00 0.00 51.96 51.02 3kdh s ALA 184 Cb 0.00 -2.06 -0.05 0.00 0.00 0.00 0.00 23.12 21.01 3kdh s ALA 184 CO 0.00 0.46 1.21 -2.30 0.00 0.00 0.00 175.76 175.13 3kdh n PRO 185 N -0.54 1.34 -2.49 0.00 -0.02 -1.26 -4.81 135.00 127.22 3kdh n PRO 185 Ca -0.04 0.50 -0.33 0.00 -2.02 0.00 0.00 63.50 61.61 3kdh n PRO 185 Cb 0.53 -2.40 -0.04 0.00 -0.02 0.00 0.00 33.50 31.57 3kdh n PRO 185 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3kdh s MET 186 N -2.85 3.87 -0.01 -0.52 -1.94 -1.26 -4.99 119.30 111.60 3kdh s MET 186 Ca 0.74 1.15 -0.04 0.00 -1.71 0.00 0.00 55.69 55.84 3kdh s MET 186 Cb -0.42 -2.12 -0.02 0.00 2.01 0.00 0.00 34.83 34.28 3kdh s MET 186 CO 0.48 -0.34 -0.08 0.72 -0.01 0.00 0.00 175.02 175.78 3kdh n HIS 187 N -1.24 0.00 -4.06 -0.03 8.25 -1.26 -5.06 115.22 111.82 3kdh n HIS 187 Ca 0.08 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.28 3kdh n HIS 187 Cb 0.53 -0.17 -0.05 0.00 1.12 0.00 0.00 29.99 31.43 3kdh n HIS 187 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3kdh s ASP 188 N -5.78 5.69 -0.05 0.41 1.01 -1.26 -5.11 116.67 111.58 3kdh s ASP 188 Ca -0.08 -0.08 -0.10 0.00 0.71 0.00 0.00 52.55 53.00 3kdh s ASP 188 Cb 0.02 -1.53 -0.05 0.00 1.01 0.00 0.00 42.92 42.37 3kdh s ASP 188 CO 0.10 0.05 0.27 -0.62 0.21 0.00 0.00 175.17 175.18 3kdh s ASP 189 N -3.23 6.57 0.00 0.27 2.15 -1.26 -4.83 116.67 116.34 3kdh s ASP 189 Ca 0.32 0.67 0.00 0.00 0.43 0.00 0.00 52.55 53.97 3kdh s ASP 189 Cb -0.10 -2.14 0.00 0.00 -0.30 0.00 0.00 42.92 40.38 3kdh s ASP 189 CO 0.25 0.34 0.00 -0.62 -0.17 0.00 0.00 175.17 174.97