#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kb0 h GLU 14 N 0.00 -0.52 -0.95 -1.46 4.81 -2.03 -2.94 114.58 111.49 3kb0 h GLU 14 Ca 0.00 0.04 0.11 0.00 -0.13 0.00 0.00 59.36 59.38 3kb0 h GLU 14 Cb 0.00 0.12 -0.08 0.00 0.63 0.00 0.00 28.75 29.42 3kb0 h GLU 14 CO 0.00 -0.21 0.59 0.37 -0.73 0.00 0.00 179.01 179.03 3kb0 h GLN 15 N -0.92 0.91 0.00 1.92 4.15 -2.05 -1.75 115.11 117.37 3kb0 h GLN 15 Ca -0.06 -0.05 -0.10 0.00 0.77 0.00 0.00 58.65 59.21 3kb0 h GLN 15 Cb 0.55 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 28.02 3kb0 h GLN 15 CO 0.09 0.60 -0.49 0.87 -1.93 0.00 0.00 178.83 177.98 3kb0 h LYS 16 N 0.94 0.00 0.03 1.69 1.79 -2.01 -0.56 116.57 118.44 3kb0 h LYS 16 Ca 0.47 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.72 3kb0 h LYS 16 Cb 0.45 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.09 3kb0 h LYS 16 CO -0.26 0.49 -0.97 1.15 -1.08 0.00 0.00 179.45 178.77 3kb0 h THR 17 N 0.00 1.51 0.00 -0.16 2.02 -1.19 -3.34 112.91 111.75 3kb0 h THR 17 Ca -0.00 -2.77 -0.07 0.00 0.77 0.00 0.00 66.41 64.33 3kb0 h THR 17 Cb 0.92 2.60 -0.01 0.00 -1.74 0.00 0.00 68.15 69.91 3kb0 h THR 17 CO 0.06 0.81 -0.60 -0.07 0.37 0.00 0.00 175.52 176.09 3kb0 h LEU 18 N 0.11 0.00 -0.21 2.58 3.38 -1.01 -3.37 115.31 116.79 3kb0 h LEU 18 Ca -0.06 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.96 3kb0 h LEU 18 Cb 1.64 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.32 3kb0 h LEU 18 CO 0.15 0.31 -0.29 -0.33 0.09 0.00 0.00 178.44 178.38 3kb0 h GLU 19 N 0.00 -0.30 -0.58 1.13 5.08 -1.23 0.54 114.58 119.21 3kb0 h GLU 19 Ca -0.03 0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 3kb0 h GLU 19 Cb 1.27 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.56 3kb0 h GLU 19 CO 0.04 -0.20 0.16 -1.00 -1.00 0.00 0.00 179.01 177.00 3kb0 h PRO 20 N -0.32 0.89 -0.47 2.33 0.13 -1.79 0.62 132.00 133.40 3kb0 h PRO 20 Ca 0.12 -0.18 0.02 0.00 -0.87 0.00 0.00 66.00 65.09 3kb0 h PRO 20 Cb 0.51 -0.14 -0.03 0.00 0.13 0.00 0.00 31.00 31.47 3kb0 h PRO 20 CO -0.39 0.79 0.28 0.28 -0.23 0.00 0.00 178.00 178.73 3kb0 h VAL 21 N 0.86 1.06 0.23 1.56 2.07 -1.60 0.42 116.25 120.85 3kb0 h VAL 21 Ca 0.19 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 3kb0 h VAL 21 Cb 0.29 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 3kb0 h VAL 21 CO -0.00 0.10 -0.11 0.40 0.02 0.00 0.00 177.57 177.98 3kb0 h ILE 22 N 0.57 0.83 -0.52 4.57 2.04 -0.55 -0.70 117.51 123.74 3kb0 h ILE 22 Ca 0.18 -0.31 0.10 0.00 1.00 0.00 0.00 64.86 65.84 3kb0 h ILE 22 Cb -0.00 1.01 -0.10 0.00 -0.74 0.00 0.00 36.82 36.99 3kb0 h ILE 22 CO -0.08 0.07 -0.16 0.50 0.00 0.00 0.00 178.15 178.49 3kb0 h LYS 23 N -0.46 -0.03 -0.14 2.37 3.64 -0.72 -1.18 116.57 120.04 3kb0 h LYS 23 Ca -0.03 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.13 3kb0 h LYS 23 Cb 0.35 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.19 3kb0 h LYS 23 CO 0.05 -0.02 -0.79 1.15 -2.27 0.00 0.00 179.45 177.57 3kb0 h THR 24 N -0.03 1.29 0.00 1.00 2.02 0.10 -3.41 112.91 113.87 3kb0 h THR 24 Ca 0.25 -2.00 -0.04 0.00 0.77 0.00 0.00 66.41 65.38 3kb0 h THR 24 Cb 0.41 2.01 -0.01 0.00 -1.74 0.00 0.00 68.15 68.82 3kb0 h THR 24 CO -0.55 0.63 -1.26 -1.22 0.37 0.00 0.00 175.52 173.49 3kb0 n TYR 25 N -3.92 0.00 0.75 3.16 4.02 -0.29 -4.86 117.16 116.01 3kb0 n TYR 25 Ca -0.07 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.90 3kb0 n TYR 25 Cb 0.75 -0.17 -0.10 0.00 -0.02 0.00 0.00 39.34 39.81 3kb0 n TYR 25 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 3kb0 n HIS 26 N -1.94 0.00 -2.94 -0.72 8.25 -0.45 -4.93 115.22 112.48 3kb0 n HIS 26 Ca -0.04 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.05 3kb0 n HIS 26 Cb 0.41 -0.03 -0.06 0.00 1.12 0.00 0.00 29.99 31.44 3kb0 n HIS 26 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3kb0 s GLN 27 N -2.64 4.42 0.13 -0.41 -0.21 -1.23 -4.80 119.66 114.91 3kb0 s GLN 27 Ca 0.06 1.10 0.09 0.00 0.02 0.00 0.00 55.36 56.62 3kb0 s GLN 27 Cb 0.13 -2.84 -0.04 0.00 1.00 0.00 0.00 33.01 31.25 3kb0 s GLN 27 CO 0.70 0.34 -0.22 -0.06 -2.12 0.00 0.00 175.29 173.93 3kb0 s PHE 28 N -1.56 1.98 0.27 0.91 0.40 -1.26 -5.12 117.98 113.60 3kb0 s PHE 28 Ca 0.46 -0.41 -0.29 0.00 -0.60 0.00 0.00 56.93 56.09 3kb0 s PHE 28 Cb -0.18 -1.06 -0.10 0.00 0.51 0.00 0.00 43.02 42.20 3kb0 s PHE 28 CO 0.22 0.29 1.32 -1.21 0.70 0.00 0.00 175.22 176.54 3kb0 s GLU 29 N -2.15 4.37 -0.07 0.44 2.02 -1.26 -4.94 118.70 117.11 3kb0 s GLU 29 Ca 0.11 2.15 -0.30 0.00 0.02 0.00 0.00 54.97 56.95 3kb0 s GLU 29 Cb -0.09 -3.13 -0.04 0.00 0.10 0.00 0.00 34.13 30.97 3kb0 s GLU 29 CO 0.06 -0.22 1.40 -1.25 0.02 0.00 0.00 175.26 175.26 3kb0 s PRO 30 N -0.96 4.25 0.24 0.39 0.04 -1.26 -5.03 135.00 132.67 3kb0 s PRO 30 Ca 0.53 1.90 0.11 0.00 0.04 0.00 0.00 61.00 63.58 3kb0 s PRO 30 Cb -0.38 -3.72 -0.05 0.00 0.04 0.00 0.00 34.50 30.39 3kb0 s PRO 30 CO 0.45 -0.66 -0.20 -0.51 0.04 0.00 0.00 177.00 176.12 3kb0 s ASP 31 N 2.20 3.31 0.00 6.66 1.11 -1.26 -5.03 116.67 123.66 3kb0 s ASP 31 Ca 0.63 -0.97 0.27 0.00 0.18 0.00 0.00 52.55 52.66 3kb0 s ASP 31 Cb -0.28 -0.25 0.88 0.00 1.07 0.00 0.00 42.92 44.34 3kb0 s ASP 31 CO 0.23 0.02 1.67 -0.81 1.18 0.00 0.00 175.17 177.47 3kb0 n PRO 32 N -0.26 0.10 0.05 8.23 -0.04 -1.26 -3.71 135.00 138.11 3kb0 n PRO 32 Ca -0.08 -0.04 0.12 0.00 -0.04 0.00 0.00 63.50 63.46 3kb0 n PRO 32 Cb 0.59 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.83 3kb0 n PRO 32 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 3kb0 n THR 33 N -1.42 0.32 -4.43 0.52 -1.04 -1.26 -4.94 114.28 102.04 3kb0 n THR 33 Ca 0.07 -0.21 -0.25 0.00 -2.04 0.00 0.00 64.05 61.63 3kb0 n THR 33 Cb 0.33 -0.20 -0.10 0.00 -1.82 0.00 0.00 70.33 68.53 3kb0 n THR 33 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3kb0 s THR 34 N -3.11 2.59 -0.12 12.58 -4.23 -1.24 -1.39 115.64 120.71 3kb0 s THR 34 Ca 0.09 -2.20 -0.00 0.00 -1.18 0.00 0.00 61.69 58.39 3kb0 s THR 34 Cb 0.14 -2.32 -0.02 0.00 1.34 0.00 0.00 72.50 71.64 3kb0 s THR 34 CO 0.67 -0.30 -0.10 0.00 -0.54 0.00 0.00 174.62 174.36 3kb0 s THR 36 N 0.08 1.30 0.10 0.00 -4.23 -1.26 -1.49 115.64 110.14 3kb0 s THR 36 Ca -0.04 -1.56 -0.25 0.00 -1.18 0.00 0.00 61.69 58.66 3kb0 s THR 36 Cb -0.14 -1.38 0.08 0.00 1.34 0.00 0.00 72.50 72.40 3kb0 s THR 36 CO 0.04 -0.31 0.73 -0.55 -0.54 0.00 0.00 174.62 173.99 3kb0 s SER 37 N -2.15 -0.46 -0.08 3.99 0.15 -1.04 -4.99 113.70 109.13 3kb0 s SER 37 Ca 0.05 -0.05 0.01 0.00 0.70 0.00 0.00 55.95 56.65 3kb0 s SER 37 Cb -0.07 0.52 0.02 0.00 -1.71 0.00 0.00 66.02 64.78 3kb0 s SER 37 CO 0.03 -0.85 -0.08 -0.22 1.20 0.00 0.00 173.24 173.32 3kb0 s LEU 38 N -2.67 1.33 -0.06 3.45 0.20 -1.26 -1.62 118.68 118.05 3kb0 s LEU 38 Ca 0.04 -0.25 0.03 0.00 0.69 0.00 0.00 54.13 54.63 3kb0 s LEU 38 Cb -0.01 -0.72 -0.03 0.00 -0.43 0.00 0.00 46.19 45.00 3kb0 s LEU 38 CO -0.10 -0.06 -0.12 -0.63 -0.29 0.00 0.00 176.35 175.16 3kb0 s ILE 39 N 1.20 3.29 -0.04 6.68 1.09 0.16 -4.97 121.20 128.61 3kb0 s ILE 39 Ca -0.05 -0.64 0.06 0.00 -1.10 0.00 0.00 60.65 58.92 3kb0 s ILE 39 Cb -0.14 -2.31 -0.02 0.00 -1.06 0.00 0.00 42.46 38.93 3kb0 s ILE 39 CO -0.02 0.59 -0.20 -0.89 -0.10 0.00 0.00 174.94 174.32 3kb0 s THR 40 N -0.73 2.57 -0.03 2.92 2.01 -1.26 -1.09 115.64 120.03 3kb0 s THR 40 Ca 0.11 -0.91 -0.01 0.00 0.31 0.00 0.00 61.69 61.19 3kb0 s THR 40 Cb -0.11 -1.96 0.03 0.00 0.01 0.00 0.00 72.50 70.47 3kb0 s THR 40 CO 0.01 0.59 0.05 -1.58 -0.69 0.00 0.00 174.62 173.00 3kb0 s GLN 41 N -0.66 -0.06 -0.09 4.92 2.00 -0.32 -5.00 119.66 120.46 3kb0 s GLN 41 Ca 0.10 0.32 -0.18 0.00 -2.00 0.00 0.00 55.36 53.60 3kb0 s GLN 41 Cb -0.10 -0.40 -0.05 0.00 0.80 0.00 0.00 33.01 33.26 3kb0 s GLN 41 CO -0.00 -0.27 0.48 1.03 -0.50 0.00 0.00 175.29 176.03 3kb0 s ARG 42 N 1.75 4.27 -0.06 1.67 0.52 -1.26 -0.98 118.95 124.87 3kb0 s ARG 42 Ca -0.01 0.47 0.02 0.00 -0.52 0.00 0.00 55.73 55.70 3kb0 s ARG 42 Cb -0.12 -3.39 0.02 0.00 0.52 0.00 0.00 34.95 31.97 3kb0 s ARG 42 CO -0.03 0.27 -0.09 0.42 0.02 0.00 0.00 175.30 175.89 3kb0 s ILE 43 N 0.25 0.89 -1.38 1.52 1.01 0.30 -4.99 121.20 118.80 3kb0 s ILE 43 Ca 0.26 -0.33 -0.12 0.00 0.00 0.00 0.00 60.65 60.47 3kb0 s ILE 43 Cb -0.16 -0.85 0.09 0.00 0.01 0.00 0.00 42.46 41.55 3kb0 s ILE 43 CO 0.11 0.30 2.10 1.41 0.00 0.00 0.00 174.94 178.87 3kb0 n HIS 44 N 3.97 3.23 -3.56 3.97 8.25 -1.26 -0.55 115.22 129.28 3kb0 n HIS 44 Ca -0.23 -2.90 -0.13 0.00 -0.26 0.00 0.00 57.72 54.21 3kb0 n HIS 44 Cb 0.51 -2.28 -0.04 0.00 1.12 0.00 0.00 29.99 29.30 3kb0 n HIS 44 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kb0 s ALA 45 N 1.89 -1.28 0.69 -1.41 0.00 -1.26 -4.74 121.76 115.66 3kb0 s ALA 45 Ca 0.44 0.41 -0.14 0.00 0.00 0.00 0.00 51.96 52.67 3kb0 s ALA 45 Cb 0.12 0.56 0.02 0.00 0.00 0.00 0.00 23.12 23.82 3kb0 s ALA 45 CO -0.05 -0.59 1.13 -2.14 0.00 0.00 0.00 175.76 174.11 3kb0 s PRO 46 N -3.04 2.53 0.37 0.00 0.02 -1.26 -3.18 135.00 130.44 3kb0 s PRO 46 Ca -0.02 1.46 0.07 0.00 0.02 0.00 0.00 61.00 62.53 3kb0 s PRO 46 Cb -0.00 -1.91 0.72 0.00 0.02 0.00 0.00 34.50 33.33 3kb0 s PRO 46 CO -0.06 -1.47 1.91 0.00 -0.33 0.00 0.00 177.00 177.05 3kb0 h ALA 47 N -0.22 1.47 0.00 -1.55 0.00 -1.92 -1.49 119.26 115.55 3kb0 h ALA 47 Ca -0.46 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.26 3kb0 h ALA 47 Cb 1.26 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3kb0 h ALA 47 CO 0.52 0.38 0.00 0.66 0.00 0.00 0.00 179.25 180.81 3kb0 h SER 48 N 0.37 0.00 0.11 0.00 4.64 -1.99 0.11 113.55 116.80 3kb0 h SER 48 Ca 0.08 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 61.04 3kb0 h SER 48 Cb 0.31 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.35 3kb0 h SER 48 CO 0.01 0.00 -2.21 0.52 -0.87 0.00 0.00 176.83 174.29 3kb0 n VAL 49 N -3.02 1.56 -0.04 0.95 0.31 -0.59 -4.42 118.33 113.09 3kb0 n VAL 49 Ca -0.03 -0.70 -0.14 0.00 -0.01 0.00 0.00 64.34 63.47 3kb0 n VAL 49 Cb 0.07 -1.22 -0.08 0.00 -0.91 0.00 0.00 33.84 31.70 3kb0 n VAL 49 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3kb0 h VAL 50 N 0.02 1.39 -0.32 2.52 2.07 -1.17 -3.36 116.25 117.40 3kb0 h VAL 50 Ca -0.48 -1.53 0.04 0.00 0.82 0.00 0.00 66.70 65.55 3kb0 h VAL 50 Cb 2.03 2.11 -0.04 0.00 -1.52 0.00 0.00 31.29 33.88 3kb0 h VAL 50 CO 0.01 0.44 0.07 -0.25 0.02 0.00 0.00 177.57 177.87 3kb0 h TRP 51 N -0.09 0.12 -0.41 1.57 2.91 -1.02 -2.11 115.95 116.92 3kb0 h TRP 51 Ca 0.00 0.02 0.12 0.00 1.13 0.00 0.00 58.89 60.16 3kb0 h TRP 51 Cb 0.83 -0.01 -0.02 0.00 -0.51 0.00 0.00 29.16 29.45 3kb0 h TRP 51 CO 0.11 0.03 0.31 -1.35 -1.03 0.00 0.00 178.44 176.51 3kb0 h PRO 52 N 0.19 0.00 -0.40 2.65 0.11 -1.77 0.13 132.00 132.90 3kb0 h PRO 52 Ca 0.15 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.15 3kb0 h PRO 52 Cb 0.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.25 3kb0 h PRO 52 CO -0.19 0.00 -0.17 -0.07 -0.21 0.00 0.00 178.00 177.36 3kb0 h LEU 53 N 0.00 0.84 -0.16 2.35 -0.00 -1.54 -1.69 115.31 115.12 3kb0 h LEU 53 Ca 0.20 -0.40 -0.17 0.00 -0.00 0.00 0.00 57.88 57.51 3kb0 h LEU 53 Cb 0.82 -0.23 0.01 0.00 -0.00 0.00 0.00 40.66 41.25 3kb0 h LEU 53 CO -0.00 1.05 -0.56 0.40 -0.00 0.00 0.00 178.44 179.33 3kb0 h ILE 54 N 0.63 1.32 0.00 1.22 1.08 -1.21 -3.32 117.51 117.24 3kb0 h ILE 54 Ca 0.09 -1.81 -0.07 0.00 -0.39 0.00 0.00 64.86 62.68 3kb0 h ILE 54 Cb 0.73 2.00 -0.01 0.00 -3.07 0.00 0.00 36.82 36.47 3kb0 h ILE 54 CO 0.05 0.56 -0.31 -0.09 -0.69 0.00 0.00 178.15 177.67 3kb0 h ARG 55 N 0.34 0.00 -5.59 2.37 9.65 -0.76 -3.38 114.38 117.01 3kb0 h ARG 55 Ca -0.03 0.00 -0.45 0.00 -1.10 0.00 0.00 59.98 58.41 3kb0 h ARG 55 Cb 1.19 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 29.72 3kb0 h ARG 55 CO 0.12 0.31 1.45 0.50 2.80 0.00 0.00 179.97 185.16 3kb0 s ARG 56 N -3.78 2.99 0.46 0.20 6.06 -0.64 -4.80 118.95 119.44 3kb0 s ARG 56 Ca -0.01 -1.46 0.14 0.00 -2.50 0.00 0.00 55.73 51.90 3kb0 s ARG 56 Cb 0.12 -5.34 1.09 0.00 0.06 0.00 0.00 34.95 30.87 3kb0 s ARG 56 CO 0.67 -3.42 2.05 0.35 -2.50 0.00 0.00 175.30 172.44 3kb0 h PHE 57 N 8.99 0.29 0.00 5.12 3.57 -1.87 -0.41 116.94 132.61 3kb0 h PHE 57 Ca 0.30 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.80 3kb0 h PHE 57 Cb 0.91 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.56 3kb0 h PHE 57 CO 1.28 0.16 0.00 -0.40 -2.23 0.00 0.00 178.31 177.12 3kb0 n ASP 58 N -4.48 0.00 -2.46 0.41 3.85 -1.26 -4.17 116.55 108.43 3kb0 n ASP 58 Ca 0.04 -0.80 -0.16 0.00 -0.71 0.00 0.00 54.79 53.17 3kb0 n ASP 58 Cb 0.23 -0.06 0.02 0.00 -1.35 0.00 0.00 41.12 39.97 3kb0 n ASP 58 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 3kb0 n ASN 59 N -1.06 3.35 0.31 -1.12 4.05 -0.16 -4.69 115.26 115.93 3kb0 n ASN 59 Ca 0.21 -3.11 0.19 0.00 0.45 0.00 0.00 54.58 52.33 3kb0 n ASN 59 Cb 0.13 -0.44 0.96 0.00 1.23 0.00 0.00 39.78 41.66 3kb0 n ASN 59 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 3kb0 h PRO 60 N 2.55 0.00 0.00 1.20 0.13 -1.73 -2.59 132.00 131.56 3kb0 h PRO 60 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3kb0 h PRO 60 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3kb0 h PRO 60 CO 0.59 0.02 0.00 1.05 -0.23 0.00 0.00 178.00 179.43 3kb0 h GLU 61 N 0.00 0.00 -0.52 0.86 9.09 -1.87 0.22 114.58 122.37 3kb0 h GLU 61 Ca -0.00 0.00 0.01 0.00 0.05 0.00 0.00 59.36 59.42 3kb0 h GLU 61 Cb 0.21 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.28 3kb0 h GLU 61 CO 0.00 0.00 0.34 0.00 0.05 0.00 0.00 179.01 179.41 3kb0 h ARG 62 N 0.00 0.64 0.00 1.06 2.47 -1.84 -3.34 114.38 113.37 3kb0 h ARG 62 Ca 0.00 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 3kb0 h ARG 62 Cb 0.07 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.25 3kb0 h ARG 62 CO 0.00 0.42 0.00 2.48 0.56 0.00 0.00 179.97 183.43 3kb0 n TYR 63 N -4.46 0.00 -3.00 3.04 0.18 -0.72 -4.91 117.16 107.29 3kb0 n TYR 63 Ca 0.05 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.41 3kb0 n TYR 63 Cb 0.08 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 38.99 3kb0 n TYR 63 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 3kb0 s LYS 64 N -0.32 3.82 0.20 -3.48 1.02 -0.01 -4.27 119.74 116.70 3kb0 s LYS 64 Ca 0.00 0.35 -0.15 0.00 0.02 0.00 0.00 55.97 56.19 3kb0 s LYS 64 Cb 0.00 -3.77 0.20 0.00 -0.52 0.00 0.00 37.83 33.74 3kb0 s LYS 64 CO 0.00 -0.74 1.63 1.25 -0.92 0.00 0.00 175.35 176.57 3kb0 h HIS 65 N 8.33 -0.39 -0.02 3.18 -0.00 -1.88 -2.62 115.15 121.75 3kb0 h HIS 65 Ca -0.25 0.05 0.00 0.00 -0.00 0.00 0.00 60.37 60.17 3kb0 h HIS 65 Cb 1.10 0.26 0.00 0.00 -0.00 0.00 0.00 27.41 28.77 3kb0 h HIS 65 CO 0.78 -0.27 -0.04 1.19 -0.00 0.00 0.00 177.93 179.58 3kb0 n PHE 66 N -5.42 0.00 -2.92 5.26 0.99 -1.26 -4.92 117.46 109.19 3kb0 n PHE 66 Ca 0.06 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 57.10 3kb0 n PHE 66 Cb 0.32 -0.01 -0.04 0.00 -1.00 0.00 0.00 39.48 38.75 3kb0 n PHE 66 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 3kb0 s VAL 67 N -2.06 4.95 -0.09 -4.37 1.01 -0.99 -1.43 120.40 117.43 3kb0 s VAL 67 Ca 0.32 1.65 0.17 0.00 0.00 0.00 0.00 61.98 64.12 3kb0 s VAL 67 Cb 0.20 -4.14 -0.25 0.00 0.00 0.00 0.00 36.38 32.20 3kb0 s VAL 67 CO 0.35 0.16 0.24 2.29 0.00 0.00 0.00 175.10 178.13 3kb0 n LYS 68 N 4.29 0.88 -3.70 2.72 2.85 0.11 -4.80 118.16 120.51 3kb0 n LYS 68 Ca 0.02 -0.09 -0.14 0.00 -1.05 0.00 0.00 58.31 57.05 3kb0 n LYS 68 Cb 0.50 -1.43 -0.08 0.00 -0.65 0.00 0.00 35.03 33.38 3kb0 n LYS 68 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 3kb0 s ARG 69 N -2.86 0.75 -0.16 -1.58 0.52 -1.13 -5.02 118.95 109.47 3kb0 s ARG 69 Ca -0.07 -0.05 -0.14 0.00 -0.52 0.00 0.00 55.73 54.95 3kb0 s ARG 69 Cb 0.08 0.34 0.04 0.00 0.52 0.00 0.00 34.95 35.94 3kb0 s ARG 69 CO 0.72 -0.21 0.42 0.00 0.02 0.00 0.00 175.30 176.25 3kb0 s ARG 71 N 0.34 0.42 -0.14 0.00 1.70 -0.75 -4.97 118.95 115.55 3kb0 s ARG 71 Ca -0.01 -0.57 -0.29 0.00 -0.47 0.00 0.00 55.73 54.40 3kb0 s ARG 71 Cb -0.03 0.16 -0.01 0.00 -0.57 0.00 0.00 34.95 34.50 3kb0 s ARG 71 CO -0.01 -0.09 0.99 -1.17 -1.08 0.00 0.00 175.30 173.95 3kb0 s LEU 72 N -1.56 4.21 -0.01 -1.89 2.96 -1.26 -0.56 118.68 120.57 3kb0 s LEU 72 Ca -0.13 1.46 0.16 0.00 -0.22 0.00 0.00 54.13 55.40 3kb0 s LEU 72 Cb -0.07 -3.51 -0.20 0.00 0.50 0.00 0.00 46.19 42.90 3kb0 s LEU 72 CO -0.01 -0.48 0.62 2.30 -1.32 0.00 0.00 176.35 177.45 3kb0 n ILE 73 N 4.72 0.00 -3.70 6.68 -5.35 0.01 -4.94 119.36 116.78 3kb0 n ILE 73 Ca 0.09 -0.18 -0.13 0.00 -0.27 0.00 0.00 62.75 62.26 3kb0 n ILE 73 Cb 0.48 0.78 -0.09 0.00 -1.74 0.00 0.00 39.64 39.07 3kb0 n ILE 73 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 3kb0 s SER 74 N -2.89 -0.54 0.00 7.28 0.15 -1.07 -4.96 113.70 111.67 3kb0 s SER 74 Ca 0.03 1.02 0.00 0.00 0.70 0.00 0.00 55.95 57.70 3kb0 s SER 74 Cb 0.12 1.01 0.00 0.00 -1.71 0.00 0.00 66.02 65.44 3kb0 s SER 74 CO 0.68 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.55 3kb0 n GLY 75 N 3.06 -2.40 0.06 9.45 0.00 -1.26 -0.57 105.19 113.52 3kb0 n GLY 75 Ca -0.15 -1.65 0.01 0.00 0.00 0.00 0.00 46.02 44.22 3kb0 n GLY 75 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kb0 n ASP 76 N 0.05 0.79 0.00 1.61 3.85 -1.26 -4.91 116.55 116.68 3kb0 n ASP 76 Ca 0.00 -1.56 0.00 0.00 -0.71 0.00 0.00 54.79 52.52 3kb0 n ASP 76 Cb 0.00 -0.05 0.00 0.00 -1.35 0.00 0.00 41.12 39.72 3kb0 n ASP 76 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3kb0 n GLY 77 N -0.25 0.84 4.00 6.12 0.00 -1.26 -5.02 105.19 109.61 3kb0 n GLY 77 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 3kb0 n GLY 77 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kb0 n ASP 78 N 0.00 1.63 -4.61 1.61 -0.08 -1.26 -4.80 116.55 109.03 3kb0 n ASP 78 Ca 0.00 -2.29 -0.47 0.00 -1.51 0.00 0.00 54.79 50.51 3kb0 n ASP 78 Cb 0.00 -0.60 -0.03 0.00 2.34 0.00 0.00 41.12 42.83 3kb0 n ASP 78 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 3kb0 n VAL 79 N -2.72 0.95 -0.03 5.18 0.31 -1.26 -1.56 118.33 119.20 3kb0 n VAL 79 Ca 0.17 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 3kb0 n VAL 79 Cb 0.61 -1.08 0.00 0.00 -0.91 0.00 0.00 33.84 32.46 3kb0 n VAL 79 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kb0 n GLY 80 N 2.04 0.65 3.76 2.92 0.00 0.81 -5.02 105.19 110.34 3kb0 n GLY 80 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 3kb0 n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kb0 s SER 81 N -2.52 5.51 -0.06 1.61 0.01 -0.60 -4.71 113.70 112.93 3kb0 s SER 81 Ca 0.00 2.42 0.02 0.00 1.31 0.00 0.00 55.95 59.71 3kb0 s SER 81 Cb 0.00 -2.61 0.01 0.00 0.21 0.00 0.00 66.02 63.64 3kb0 s SER 81 CO 0.00 -1.38 -0.11 -0.69 0.41 0.00 0.00 173.24 171.47 3kb0 s VAL 82 N -1.54 1.04 0.11 3.43 1.01 0.26 -1.28 120.40 123.44 3kb0 s VAL 82 Ca 0.72 -0.43 0.08 0.00 0.00 0.00 0.00 61.98 62.35 3kb0 s VAL 82 Cb -0.31 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 3kb0 s VAL 82 CO 0.36 0.33 -0.13 0.00 0.00 0.00 0.00 175.10 175.66 3kb0 s ARG 83 N 0.67 1.99 -0.26 2.72 1.70 0.53 -0.81 118.95 125.49 3kb0 s ARG 83 Ca -0.14 -1.08 -0.06 0.00 -0.47 0.00 0.00 55.73 53.98 3kb0 s ARG 83 Cb -0.15 -2.23 -0.01 0.00 -0.57 0.00 0.00 34.95 31.99 3kb0 s ARG 83 CO 0.03 0.50 0.03 -2.00 -1.08 0.00 0.00 175.30 172.78 3kb0 s GLU 84 N -2.17 3.31 -0.13 3.89 2.12 0.28 -1.13 118.70 124.87 3kb0 s GLU 84 Ca 0.20 -0.69 -0.02 0.00 0.36 0.00 0.00 54.97 54.81 3kb0 s GLU 84 Cb -0.11 -3.23 -0.03 0.00 0.26 0.00 0.00 34.13 31.02 3kb0 s GLU 84 CO 0.12 -0.30 -0.05 0.08 -0.54 0.00 0.00 175.26 174.57 3kb0 s VAL 85 N 1.51 3.77 -0.13 3.70 1.01 0.54 -1.81 120.40 128.99 3kb0 s VAL 85 Ca 0.04 -0.41 -0.01 0.00 0.00 0.00 0.00 61.98 61.60 3kb0 s VAL 85 Cb -0.16 -2.62 -0.02 0.00 0.00 0.00 0.00 36.38 33.59 3kb0 s VAL 85 CO 0.01 0.52 -0.12 -0.89 0.00 0.00 0.00 175.10 174.62 3kb0 s THR 86 N 0.08 3.16 0.28 3.92 2.01 -0.21 -1.13 115.64 123.75 3kb0 s THR 86 Ca -0.01 -0.62 0.09 0.00 0.31 0.00 0.00 61.69 61.45 3kb0 s THR 86 Cb -0.14 -2.33 -0.04 0.00 0.01 0.00 0.00 72.50 70.00 3kb0 s THR 86 CO 0.03 0.52 0.03 0.54 -0.69 0.00 0.00 174.62 175.06 3kb0 s VAL 87 N 0.35 3.43 0.61 3.82 0.11 -0.63 -0.71 120.40 127.38 3kb0 s VAL 87 Ca -0.10 -1.84 -0.19 0.00 -2.93 0.00 0.00 61.98 56.92 3kb0 s VAL 87 Cb -0.16 -2.91 -0.03 0.00 -1.53 0.00 0.00 36.38 31.76 3kb0 s VAL 87 CO 0.05 -0.34 1.26 0.27 -3.33 0.00 0.00 175.10 173.01 3kb0 s ILE 88 N -2.33 2.35 1.06 7.04 -4.36 -0.51 -4.79 121.20 119.65 3kb0 s ILE 88 Ca 0.33 0.23 -0.12 0.00 -0.26 0.00 0.00 60.65 60.82 3kb0 s ILE 88 Cb -0.06 -3.09 0.23 0.00 1.25 0.00 0.00 42.46 40.79 3kb0 s ILE 88 CO 0.21 -0.04 1.07 -0.94 0.24 0.00 0.00 174.94 175.48 3kb0 s SER 89 N -1.45 1.80 0.00 4.36 1.04 -1.26 -4.09 113.70 114.11 3kb0 s SER 89 Ca 0.79 1.77 0.00 0.00 0.48 0.00 0.00 55.95 58.99 3kb0 s SER 89 Cb -0.34 -2.40 0.00 0.00 0.10 0.00 0.00 66.02 63.38 3kb0 s SER 89 CO 0.37 -3.73 0.00 0.61 0.98 0.00 0.00 173.24 171.47 3kb0 n GLY 90 N 0.48 0.76 4.02 7.32 0.00 -1.26 -5.06 105.19 111.44 3kb0 n GLY 90 Ca 0.06 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 3kb0 n GLY 90 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kb0 s LEU 91 N 0.00 3.33 0.34 0.99 1.43 -1.26 -5.01 118.68 118.50 3kb0 s LEU 91 Ca 0.00 -0.58 0.04 0.00 -1.03 0.00 0.00 54.13 52.56 3kb0 s LEU 91 Cb 0.00 -2.16 0.66 0.00 0.03 0.00 0.00 46.19 44.71 3kb0 s LEU 91 CO 0.00 -1.13 1.95 -0.65 0.23 0.00 0.00 176.35 176.75 3kb0 h PRO 92 N 0.30 0.84 -6.02 1.29 0.11 -1.97 -3.42 132.00 123.13 3kb0 h PRO 92 Ca -0.35 -0.05 -0.56 0.00 0.11 0.00 0.00 66.00 65.14 3kb0 h PRO 92 Cb 1.28 -0.19 -0.14 0.00 0.11 0.00 0.00 31.00 32.06 3kb0 h PRO 92 CO 0.43 0.55 -0.75 0.00 -0.21 0.00 0.00 178.00 178.03 3kb0 s ALA 93 N -5.76 2.55 -0.04 -0.75 0.00 -1.26 -3.64 121.76 112.86 3kb0 s ALA 93 Ca -0.10 -1.83 0.04 0.00 0.00 0.00 0.00 51.96 50.07 3kb0 s ALA 93 Cb 0.19 -0.20 -0.06 0.00 0.00 0.00 0.00 23.12 23.06 3kb0 s ALA 93 CO 0.78 0.21 0.10 -1.13 0.00 0.00 0.00 175.76 175.72 3kb0 n SER 94 N -0.56 3.24 -4.17 0.00 3.41 -1.26 -4.88 113.62 109.40 3kb0 n SER 94 Ca -0.06 -0.13 -0.11 0.00 -0.26 0.00 0.00 58.87 58.32 3kb0 n SER 94 Cb 0.60 1.14 -0.10 0.00 -0.26 0.00 0.00 64.21 65.59 3kb0 n SER 94 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3kb0 s THR 95 N -2.07 0.54 -0.22 6.66 -4.23 -1.26 -1.60 115.64 113.46 3kb0 s THR 95 Ca -0.01 -1.92 -0.11 0.00 -1.18 0.00 0.00 61.69 58.47 3kb0 s THR 95 Cb 0.03 -1.82 0.08 0.00 1.34 0.00 0.00 72.50 72.13 3kb0 s THR 95 CO 0.16 -0.74 0.52 -0.55 -0.54 0.00 0.00 174.62 173.47 3kb0 s SER 96 N -3.06 -0.66 -0.27 3.99 0.15 -0.28 -4.25 113.70 109.32 3kb0 s SER 96 Ca 0.16 1.17 -0.10 0.00 0.70 0.00 0.00 55.95 57.88 3kb0 s SER 96 Cb 0.06 1.24 -0.04 0.00 -1.71 0.00 0.00 66.02 65.57 3kb0 s SER 96 CO -0.03 -0.22 0.15 -0.89 1.20 0.00 0.00 173.24 173.46 3kb0 s THR 97 N 1.88 5.03 -0.02 6.45 2.01 -0.37 -0.34 115.64 130.29 3kb0 s THR 97 Ca -0.08 0.07 0.05 0.00 0.31 0.00 0.00 61.69 62.05 3kb0 s THR 97 Cb -0.09 -3.38 -0.01 0.00 0.01 0.00 0.00 72.50 69.03 3kb0 s THR 97 CO -0.16 0.28 -0.17 -1.61 -0.69 0.00 0.00 174.62 172.27 3kb0 s GLU 98 N 1.65 1.44 -0.03 4.92 2.02 -0.28 -0.03 118.70 128.39 3kb0 s GLU 98 Ca 0.07 -0.62 0.07 0.00 0.02 0.00 0.00 54.97 54.50 3kb0 s GLU 98 Cb -0.16 -1.38 -0.02 0.00 0.10 0.00 0.00 34.13 32.68 3kb0 s GLU 98 CO 0.08 0.37 -0.24 0.50 0.02 0.00 0.00 175.26 175.99 3kb0 s ARG 99 N -0.38 2.16 -0.39 1.61 3.52 -0.05 -0.35 118.95 125.07 3kb0 s ARG 99 Ca 0.06 -0.87 -0.28 0.00 -0.13 0.00 0.00 55.73 54.51 3kb0 s ARG 99 Cb -0.07 -1.98 0.02 0.00 -1.56 0.00 0.00 34.95 31.36 3kb0 s ARG 99 CO -0.00 0.47 1.03 -1.17 -0.81 0.00 0.00 175.30 174.81 3kb0 s LEU 100 N -0.41 3.87 -0.16 -0.88 0.20 -0.40 -1.90 118.68 119.00 3kb0 s LEU 100 Ca 0.05 0.65 0.13 0.00 0.69 0.00 0.00 54.13 55.65 3kb0 s LEU 100 Cb -0.11 -3.43 -0.24 0.00 -0.43 0.00 0.00 46.19 41.99 3kb0 s LEU 100 CO 0.01 -1.00 0.23 -0.62 -0.29 0.00 0.00 176.35 174.68 3kb0 n GLU 101 N 7.15 0.67 -3.66 1.98 -0.58 -0.08 -0.13 120.64 125.99 3kb0 n GLU 101 Ca 0.10 0.11 -0.10 0.00 -0.42 0.00 0.00 57.16 56.85 3kb0 n GLU 101 Cb 0.48 -1.61 -0.08 0.00 -0.57 0.00 0.00 31.44 29.66 3kb0 n GLU 101 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 3kb0 s PHE 102 N -2.53 -0.86 -0.04 -0.32 5.36 -1.07 -4.85 117.98 113.67 3kb0 s PHE 102 Ca -0.12 1.83 -0.02 0.00 -0.96 0.00 0.00 56.93 57.66 3kb0 s PHE 102 Cb 0.07 0.43 0.03 0.00 -0.34 0.00 0.00 43.02 43.21 3kb0 s PHE 102 CO 0.80 -0.43 0.09 0.14 -1.46 0.00 0.00 175.22 174.36 3kb0 s VAL 103 N 1.16 -0.04 -0.32 3.12 -7.23 -1.26 -0.74 120.40 115.09 3kb0 s VAL 103 Ca -0.07 0.15 0.00 0.00 -1.81 0.00 0.00 61.98 60.26 3kb0 s VAL 103 Cb -0.05 -0.15 0.10 0.00 0.56 0.00 0.00 36.38 36.84 3kb0 s VAL 103 CO -0.12 0.06 0.09 -0.62 -0.31 0.00 0.00 175.10 174.21 3kb0 s ASP 104 N 0.86 4.16 0.42 4.85 -1.08 0.65 -4.99 116.67 121.53 3kb0 s ASP 104 Ca -0.07 -1.78 0.19 0.00 -0.52 0.00 0.00 52.55 50.37 3kb0 s ASP 104 Cb -0.09 -1.02 0.96 0.00 -1.46 0.00 0.00 42.92 41.30 3kb0 s ASP 104 CO -0.03 -0.40 1.89 0.44 0.52 0.00 0.00 175.17 177.59 3kb0 h ASP 105 N 7.94 0.00 -0.02 -0.34 3.45 -1.97 0.25 116.42 125.72 3kb0 h ASP 105 Ca -0.11 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.34 3kb0 h ASP 105 Cb 1.01 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.78 3kb0 h ASP 105 CO 0.48 0.28 -0.01 0.44 -1.57 0.00 0.00 179.24 178.87 3kb0 h ASP 106 N 0.00 0.04 0.16 6.45 3.45 -1.96 -3.26 116.42 121.31 3kb0 h ASP 106 Ca -0.00 -0.37 0.00 0.00 0.43 0.00 0.00 57.03 57.08 3kb0 h ASP 106 Cb 0.59 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.35 3kb0 h ASP 106 CO 0.04 0.40 -0.39 1.41 -1.57 0.00 0.00 179.24 179.13 3kb0 n HIS 107 N -4.88 0.00 -2.97 4.55 8.25 -1.18 -4.99 115.22 114.01 3kb0 n HIS 107 Ca -0.08 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.26 3kb0 n HIS 107 Cb 0.21 -0.09 0.06 0.00 1.12 0.00 0.00 29.99 31.29 3kb0 n HIS 107 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3kb0 n ARG 108 N -0.56 -1.85 -4.47 -0.41 1.74 0.80 -4.43 116.66 107.47 3kb0 n ARG 108 Ca 0.10 0.77 -0.22 0.00 -0.77 0.00 0.00 57.85 57.74 3kb0 n ARG 108 Cb 0.38 -5.16 -0.16 0.00 -1.02 0.00 0.00 32.46 26.50 3kb0 n ARG 108 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3kb0 s VAL 109 N -3.31 0.92 0.02 1.55 1.01 -0.77 -1.02 120.40 118.80 3kb0 s VAL 109 Ca 0.37 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.95 3kb0 s VAL 109 Cb -0.05 -0.82 -0.02 0.00 0.00 0.00 0.00 36.38 35.49 3kb0 s VAL 109 CO 0.63 0.29 -0.05 -0.22 0.00 0.00 0.00 175.10 175.75 3kb0 s LEU 110 N 0.33 2.16 -0.01 3.92 0.20 -0.38 -0.26 118.68 124.64 3kb0 s LEU 110 Ca -0.06 -0.36 -0.00 0.00 0.69 0.00 0.00 54.13 54.40 3kb0 s LEU 110 Cb -0.11 -0.09 0.01 0.00 -0.43 0.00 0.00 46.19 45.57 3kb0 s LEU 110 CO 0.01 -0.14 0.02 -0.55 -0.29 0.00 0.00 176.35 175.39 3kb0 s SER 111 N -1.01 0.01 0.10 3.68 0.15 0.08 -0.85 113.70 115.87 3kb0 s SER 111 Ca -0.08 0.03 0.03 0.00 0.70 0.00 0.00 55.95 56.62 3kb0 s SER 111 Cb -0.07 -0.01 -0.04 0.00 -1.71 0.00 0.00 66.02 64.20 3kb0 s SER 111 CO -0.00 -0.04 -0.08 0.72 1.20 0.00 0.00 173.24 175.04 3kb0 s PHE 112 N 0.30 0.95 0.06 3.44 -0.12 -0.91 -0.90 117.98 120.80 3kb0 s PHE 112 Ca -0.03 -0.79 0.02 0.00 -0.05 0.00 0.00 56.93 56.08 3kb0 s PHE 112 Cb -0.04 -0.53 -0.03 0.00 -0.63 0.00 0.00 43.02 41.79 3kb0 s PHE 112 CO -0.01 -0.08 -0.07 -0.98 -0.05 0.00 0.00 175.22 174.03 3kb0 s ARG 113 N -3.34 0.64 -0.00 1.99 1.70 -0.80 -1.36 118.95 117.77 3kb0 s ARG 113 Ca 0.09 -0.97 -0.27 0.00 -0.47 0.00 0.00 55.73 54.10 3kb0 s ARG 113 Cb 0.01 -0.25 -0.04 0.00 -0.57 0.00 0.00 34.95 34.11 3kb0 s ARG 113 CO -0.02 0.02 0.87 0.08 -1.08 0.00 0.00 175.30 175.16 3kb0 s VAL 114 N -2.24 4.86 -0.04 4.99 1.01 -0.39 -0.87 120.40 127.72 3kb0 s VAL 114 Ca -0.02 1.82 0.10 0.00 0.00 0.00 0.00 61.98 63.88 3kb0 s VAL 114 Cb -0.04 -4.21 -0.14 0.00 0.00 0.00 0.00 36.38 31.98 3kb0 s VAL 114 CO -0.02 0.23 0.15 0.55 0.00 0.00 0.00 175.10 176.02 3kb0 n VAL 115 N 3.60 0.24 -3.61 2.92 3.14 0.96 -4.66 118.33 120.91 3kb0 n VAL 115 Ca 0.02 -0.29 -0.07 0.00 -2.96 0.00 0.00 64.34 61.04 3kb0 n VAL 115 Cb 0.51 -0.10 0.01 0.00 -1.06 0.00 0.00 33.84 33.20 3kb0 n VAL 115 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3kb0 n GLY 116 N 2.10 1.53 0.54 7.55 0.00 -1.10 -4.95 105.19 110.86 3kb0 n GLY 116 Ca -0.07 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.70 3kb0 n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kb0 n GLY 117 N -0.37 0.00 2.24 -0.02 0.00 -1.26 -1.23 105.19 104.55 3kb0 n GLY 117 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 3kb0 n GLY 117 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3kb0 n GLU 118 N -0.02 3.22 0.00 1.61 0.28 -1.26 -2.94 120.64 121.53 3kb0 n GLU 118 Ca 0.00 -3.86 0.00 0.00 -0.16 0.00 0.00 57.16 53.14 3kb0 n GLU 118 Cb 0.00 -2.28 0.00 0.00 1.43 0.00 0.00 31.44 30.59 3kb0 n GLU 118 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 3kb0 n HIS 119 N -0.74 0.00 0.02 -1.84 8.25 -1.26 -3.13 115.22 116.51 3kb0 n HIS 119 Ca 0.51 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.76 3kb0 n HIS 119 Cb 0.78 -0.03 -0.14 0.00 1.12 0.00 0.00 29.99 31.72 3kb0 n HIS 119 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 3kb0 h ARG 120 N 0.00 0.25 -5.01 -0.41 1.12 -1.96 -3.45 114.38 104.92 3kb0 h ARG 120 Ca 0.00 -0.43 -0.66 0.00 -1.11 0.00 0.00 59.98 57.77 3kb0 h ARG 120 Cb 0.00 0.16 -0.17 0.00 -0.01 0.00 0.00 29.97 29.95 3kb0 h ARG 120 CO 0.00 1.21 -0.22 -0.51 -3.11 0.00 0.00 179.97 177.34 3kb0 s LEU 121 N -7.64 4.47 0.13 3.80 1.43 -1.18 -4.80 118.68 114.87 3kb0 s LEU 121 Ca -0.18 -0.23 0.03 0.00 -1.03 0.00 0.00 54.13 52.71 3kb0 s LEU 121 Cb 0.03 -2.41 -0.04 0.00 0.03 0.00 0.00 46.19 43.81 3kb0 s LEU 121 CO 0.78 -0.40 0.19 -0.54 0.23 0.00 0.00 176.35 176.61 3kb0 s LYS 122 N 2.13 3.18 -1.45 1.70 -0.14 -1.26 -4.52 119.74 119.37 3kb0 s LYS 122 Ca 0.13 -0.67 -0.07 0.00 -1.36 0.00 0.00 55.97 54.01 3kb0 s LYS 122 Cb -0.16 -2.84 0.01 0.00 -1.68 0.00 0.00 37.83 33.15 3kb0 s LYS 122 CO 0.12 0.53 0.89 0.09 -0.76 0.00 0.00 175.35 176.22 3kb0 n ASN 123 N -0.17 -6.25 -4.71 2.83 5.03 -1.26 -1.03 115.26 109.69 3kb0 n ASN 123 Ca -0.07 -0.41 -0.42 0.00 0.87 0.00 0.00 54.58 54.55 3kb0 n ASN 123 Cb 0.53 -4.97 -0.03 0.00 -1.02 0.00 0.00 39.78 34.29 3kb0 n ASN 123 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 3kb0 s TYR 124 N -3.25 3.24 -0.01 3.10 5.04 -1.26 -4.34 117.35 119.86 3kb0 s TYR 124 Ca 0.44 0.99 -0.02 0.00 -2.44 0.00 0.00 57.07 56.04 3kb0 s TYR 124 Cb -0.19 -3.64 0.00 0.00 0.35 0.00 0.00 41.96 38.48 3kb0 s TYR 124 CO 0.54 -2.23 0.05 0.21 -1.34 0.00 0.00 175.55 172.79 3kb0 s LYS 125 N 1.21 0.12 0.11 4.97 2.20 -0.56 -1.26 119.74 126.53 3kb0 s LYS 125 Ca 0.64 -0.03 0.01 0.00 -0.36 0.00 0.00 55.97 56.22 3kb0 s LYS 125 Cb -0.35 0.05 -0.04 0.00 -1.51 0.00 0.00 37.83 35.98 3kb0 s LYS 125 CO 0.30 -0.02 -0.02 -1.54 -0.36 0.00 0.00 175.35 173.71 3kb0 s SER 126 N -0.22 0.89 -0.03 1.43 1.04 -0.47 -1.11 113.70 115.22 3kb0 s SER 126 Ca -0.03 -1.08 0.01 0.00 0.48 0.00 0.00 55.95 55.33 3kb0 s SER 126 Cb -0.02 0.16 0.02 0.00 0.10 0.00 0.00 66.02 66.28 3kb0 s SER 126 CO 0.00 -0.56 -0.03 -0.69 0.98 0.00 0.00 173.24 172.93 3kb0 s VAL 127 N -3.76 0.41 -0.07 5.02 1.01 -0.32 -2.14 120.40 120.55 3kb0 s VAL 127 Ca 0.16 -0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.09 3kb0 s VAL 127 Cb 0.06 -0.44 0.01 0.00 0.00 0.00 0.00 36.38 36.01 3kb0 s VAL 127 CO -0.03 0.18 -0.16 -0.89 0.00 0.00 0.00 175.10 174.21 3kb0 s THR 128 N 0.78 1.38 0.15 3.92 2.01 -0.03 -1.22 115.64 122.63 3kb0 s THR 128 Ca -0.09 -0.64 0.09 0.00 0.31 0.00 0.00 61.69 61.35 3kb0 s THR 128 Cb -0.12 -1.22 -0.04 0.00 0.01 0.00 0.00 72.50 71.12 3kb0 s THR 128 CO -0.00 0.41 -0.19 -0.94 -0.69 0.00 0.00 174.62 173.20 3kb0 s SER 129 N 0.42 2.70 -0.22 3.53 1.04 0.21 -1.25 113.70 120.13 3kb0 s SER 129 Ca -0.12 -0.82 -0.00 0.00 0.48 0.00 0.00 55.95 55.49 3kb0 s SER 129 Cb -0.15 -0.16 0.06 0.00 0.10 0.00 0.00 66.02 65.87 3kb0 s SER 129 CO 0.04 -0.00 -0.03 -0.69 0.98 0.00 0.00 173.24 173.54 3kb0 s VAL 130 N -1.80 1.27 -0.10 5.02 1.01 -0.19 -1.19 120.40 124.42 3kb0 s VAL 130 Ca 0.14 -1.03 0.04 0.00 0.00 0.00 0.00 61.98 61.12 3kb0 s VAL 130 Cb -0.07 -1.59 0.00 0.00 0.00 0.00 0.00 36.38 34.72 3kb0 s VAL 130 CO 0.06 -0.11 -0.24 0.20 0.00 0.00 0.00 175.10 175.01 3kb0 s ASN 131 N 1.52 3.12 0.04 3.32 -0.87 -0.65 -4.66 114.94 116.76 3kb0 s ASN 131 Ca -0.04 -0.56 -0.05 0.00 -1.57 0.00 0.00 52.86 50.64 3kb0 s ASN 131 Cb -0.18 -1.42 -0.05 0.00 -0.02 0.00 0.00 41.25 39.58 3kb0 s ASN 131 CO -0.07 0.16 0.28 -0.70 -2.57 0.00 0.00 177.10 174.20 3kb0 s GLU 132 N 0.37 3.57 0.09 -0.60 2.12 -1.26 -0.33 118.70 122.66 3kb0 s GLU 132 Ca -0.18 -0.12 0.02 0.00 0.36 0.00 0.00 54.97 55.05 3kb0 s GLU 132 Cb -0.18 -3.03 -0.04 0.00 0.26 0.00 0.00 34.13 31.14 3kb0 s GLU 132 CO 0.08 0.61 -0.08 -0.06 -0.54 0.00 0.00 175.26 175.28 3kb0 s PHE 133 N -1.39 0.91 -0.21 5.30 0.08 0.42 -4.97 117.98 118.11 3kb0 s PHE 133 Ca 0.31 -0.80 -0.03 0.00 0.12 0.00 0.00 56.93 56.53 3kb0 s PHE 133 Cb -0.13 -0.52 -0.00 0.00 -0.57 0.00 0.00 43.02 41.80 3kb0 s PHE 133 CO 0.19 -0.10 -0.08 -1.17 -0.10 0.00 0.00 175.22 173.96 3kb0 s LEU 134 N -2.74 2.71 -0.81 -0.37 2.96 -1.26 -0.79 118.68 118.38 3kb0 s LEU 134 Ca 0.08 -0.45 -0.26 0.00 -0.22 0.00 0.00 54.13 53.29 3kb0 s LEU 134 Cb 0.02 -1.67 0.02 0.00 0.50 0.00 0.00 46.19 45.05 3kb0 s LEU 134 CO -0.03 -0.01 1.52 0.21 -1.32 0.00 0.00 176.35 176.72 3kb0 s ASN 135 N 1.37 5.96 0.22 3.68 3.04 -0.40 -4.90 114.94 123.91 3kb0 s ASN 135 Ca 0.05 -0.59 -0.09 0.00 0.04 0.00 0.00 52.86 52.27 3kb0 s ASN 135 Cb -0.14 -2.56 0.24 0.00 -1.54 0.00 0.00 41.25 37.25 3kb0 s ASN 135 CO -0.05 -1.96 1.84 -0.61 -3.04 0.00 0.00 177.10 173.28 3kb0 h GLN 136 N 11.06 0.82 -0.51 0.43 5.75 -1.95 0.55 115.11 131.26 3kb0 h GLN 136 Ca -0.10 -0.05 0.04 0.00 -0.15 0.00 0.00 58.65 58.39 3kb0 h GLN 136 Cb 1.06 -0.19 -0.04 0.00 1.07 0.00 0.00 27.48 29.38 3kb0 h GLN 136 CO 1.30 0.55 0.26 0.38 -2.65 0.00 0.00 178.83 178.66 3kb0 h ASP 137 N 0.85 0.37 0.95 -0.69 2.03 -1.97 -3.25 116.42 114.71 3kb0 h ASP 137 Ca 0.31 0.03 -0.15 0.00 -0.73 0.00 0.00 57.03 56.48 3kb0 h ASP 137 Cb 0.09 -0.04 -0.03 0.00 -0.83 0.00 0.00 39.33 38.52 3kb0 h ASP 137 CO -0.14 0.26 -1.13 -1.28 -1.03 0.00 0.00 179.24 175.92 3kb0 h SER 138 N 0.50 0.00 0.00 4.15 0.87 -1.66 -3.48 113.55 113.94 3kb0 h SER 138 Ca 0.23 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 3kb0 h SER 138 Cb 0.13 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 3kb0 h SER 138 CO -0.16 0.59 0.00 0.61 -0.53 0.00 0.00 176.83 177.34 3kb0 n GLY 139 N 1.35 1.65 3.82 5.77 0.00 0.18 -5.01 105.19 112.95 3kb0 n GLY 139 Ca -0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 3kb0 n GLY 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kb0 s LYS 140 N -0.07 3.96 0.52 1.61 -0.14 -1.23 -4.85 119.74 119.54 3kb0 s LYS 140 Ca 0.00 0.41 -0.00 0.00 -1.36 0.00 0.00 55.97 55.01 3kb0 s LYS 140 Cb 0.00 -3.24 0.02 0.00 -1.68 0.00 0.00 37.83 32.93 3kb0 s LYS 140 CO 0.00 0.64 0.76 0.14 -0.76 0.00 0.00 175.35 176.12 3kb0 s VAL 141 N -0.90 3.22 0.20 3.17 -7.23 -1.26 -1.28 120.40 116.32 3kb0 s VAL 141 Ca 0.24 -0.53 -0.19 0.00 -1.81 0.00 0.00 61.98 59.69 3kb0 s VAL 141 Cb -0.16 -3.21 0.03 0.00 0.56 0.00 0.00 36.38 33.60 3kb0 s VAL 141 CO 0.13 -0.16 0.55 -0.72 -0.31 0.00 0.00 175.10 174.59 3kb0 s TYR 142 N -2.73 -0.19 0.01 2.82 -0.85 0.03 -4.47 117.35 111.97 3kb0 s TYR 142 Ca 0.54 -0.14 0.08 0.00 -0.52 0.00 0.00 57.07 57.03 3kb0 s TYR 142 Cb -0.10 0.45 -0.02 0.00 0.38 0.00 0.00 41.96 42.66 3kb0 s TYR 142 CO 0.39 -0.94 -0.26 0.99 -1.52 0.00 0.00 175.55 174.22 3kb0 s THR 143 N -3.86 2.04 -0.23 -3.49 2.01 0.29 -0.44 115.64 111.97 3kb0 s THR 143 Ca 0.08 -1.21 -0.02 0.00 0.31 0.00 0.00 61.69 60.84 3kb0 s THR 143 Cb -0.01 -1.72 0.01 0.00 0.01 0.00 0.00 72.50 70.78 3kb0 s THR 143 CO -0.04 0.47 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.61 3kb0 s VAL 144 N -0.69 3.02 -0.19 3.82 1.01 0.55 -0.54 120.40 127.38 3kb0 s VAL 144 Ca 0.10 -0.77 -0.15 0.00 0.00 0.00 0.00 61.98 61.17 3kb0 s VAL 144 Cb -0.10 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 3kb0 s VAL 144 CO 0.00 0.34 0.34 -0.69 0.00 0.00 0.00 175.10 175.09 3kb0 s VAL 145 N 1.39 5.26 -0.14 2.92 1.01 -0.15 -1.64 120.40 129.06 3kb0 s VAL 145 Ca 0.03 0.60 -0.02 0.00 0.00 0.00 0.00 61.98 62.59 3kb0 s VAL 145 Cb -0.15 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 3kb0 s VAL 145 CO -0.05 0.32 -0.08 -0.76 0.00 0.00 0.00 175.10 174.53 3kb0 s LEU 146 N 0.94 3.04 -0.10 3.92 1.43 -0.33 -1.17 118.68 126.42 3kb0 s LEU 146 Ca 0.17 -0.19 -0.01 0.00 -1.03 0.00 0.00 54.13 53.07 3kb0 s LEU 146 Cb -0.14 -1.71 0.03 0.00 0.03 0.00 0.00 46.19 44.40 3kb0 s LEU 146 CO 0.06 0.19 -0.02 -0.70 0.23 0.00 0.00 176.35 176.11 3kb0 s GLU 147 N 0.23 0.93 0.16 1.70 2.12 -0.25 -0.62 118.70 122.97 3kb0 s GLU 147 Ca -0.05 -0.07 0.09 0.00 0.36 0.00 0.00 54.97 55.30 3kb0 s GLU 147 Cb -0.14 -1.28 -0.04 0.00 0.26 0.00 0.00 34.13 32.92 3kb0 s GLU 147 CO 0.04 -0.32 -0.10 -1.54 -0.54 0.00 0.00 175.26 172.80 3kb0 s SER 148 N 1.87 4.25 0.14 -1.70 1.04 -0.36 0.35 113.70 119.30 3kb0 s SER 148 Ca 0.04 -0.54 -0.06 0.00 0.48 0.00 0.00 55.95 55.88 3kb0 s SER 148 Cb -0.13 -0.73 -0.02 0.00 0.10 0.00 0.00 66.02 65.25 3kb0 s SER 148 CO -0.06 0.12 0.19 -0.72 0.98 0.00 0.00 173.24 173.75 3kb0 s TYR 149 N -1.56 0.55 0.01 5.02 -0.85 -0.64 -1.18 117.35 118.70 3kb0 s TYR 149 Ca 0.24 -0.92 0.05 0.00 -0.52 0.00 0.00 57.07 55.91 3kb0 s TYR 149 Cb -0.09 -0.21 -0.02 0.00 0.38 0.00 0.00 41.96 42.02 3kb0 s TYR 149 CO 0.14 -0.63 -0.15 -0.08 -1.52 0.00 0.00 175.55 173.31 3kb0 s THR 150 N -3.99 1.23 -0.07 -3.49 -1.32 -0.27 -2.48 115.64 105.25 3kb0 s THR 150 Ca 0.18 -0.80 -0.19 0.00 -1.21 0.00 0.00 61.69 59.67 3kb0 s THR 150 Cb 0.05 -1.05 0.04 0.00 -1.51 0.00 0.00 72.50 70.03 3kb0 s THR 150 CO -0.00 0.23 0.43 0.54 -2.21 0.00 0.00 174.62 173.61 3kb0 s VAL 151 N -0.54 0.03 0.24 5.08 0.11 -0.56 -1.50 120.40 123.26 3kb0 s VAL 151 Ca 0.05 -0.23 -0.30 0.00 -2.93 0.00 0.00 61.98 58.57 3kb0 s VAL 151 Cb -0.07 -0.70 -0.09 0.00 -1.53 0.00 0.00 36.38 33.99 3kb0 s VAL 151 CO 0.00 -0.13 1.28 -1.81 -3.33 0.00 0.00 175.10 171.12 3kb0 s ASP 152 N -0.83 6.92 -0.21 3.54 1.01 -0.20 -0.12 116.67 126.77 3kb0 s ASP 152 Ca -0.09 2.45 -0.29 0.00 0.71 0.00 0.00 52.55 55.32 3kb0 s ASP 152 Cb -0.03 -2.62 -0.01 0.00 1.01 0.00 0.00 42.92 41.27 3kb0 s ASP 152 CO 0.04 -0.48 1.23 -0.63 0.21 0.00 0.00 175.17 175.55 3kb0 s ILE 153 N -0.32 4.31 0.59 0.77 -1.09 -0.49 -4.31 121.20 120.67 3kb0 s ILE 153 Ca 0.53 1.56 -0.18 0.00 -2.23 0.00 0.00 60.65 60.33 3kb0 s ILE 153 Cb -0.37 -4.10 -0.04 0.00 -1.58 0.00 0.00 42.46 36.38 3kb0 s ILE 153 CO 0.42 -0.23 1.16 -2.84 -1.23 0.00 0.00 174.94 172.22 3kb0 s PRO 154 N 3.62 3.07 -0.23 2.79 0.02 -1.26 -4.88 135.00 138.14 3kb0 s PRO 154 Ca 0.53 1.69 -0.39 0.00 0.02 0.00 0.00 61.00 62.85 3kb0 s PRO 154 Cb -0.19 -1.96 -0.15 0.00 0.02 0.00 0.00 34.50 32.22 3kb0 s PRO 154 CO 0.15 -1.09 1.79 -1.91 -0.33 0.00 0.00 177.00 175.61 3kb0 n GLU 155 N -1.61 1.44 0.00 5.54 4.07 -1.26 -1.50 120.64 127.32 3kb0 n GLU 155 Ca 0.12 0.53 0.00 0.00 -0.06 0.00 0.00 57.16 57.75 3kb0 n GLU 155 Cb 0.50 -2.26 0.00 0.00 -0.06 0.00 0.00 31.44 29.63 3kb0 n GLU 155 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3kb0 n GLY 156 N 4.28 3.01 3.84 8.31 0.00 -1.26 -5.04 105.19 118.32 3kb0 n GLY 156 Ca 0.26 -0.27 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 3kb0 n GLY 156 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kb0 s ASN 157 N 0.66 5.85 0.41 1.61 0.01 -0.56 -5.07 114.94 117.85 3kb0 s ASN 157 Ca 0.00 1.57 -0.01 0.00 -0.71 0.00 0.00 52.86 53.71 3kb0 s ASN 157 Cb 0.00 -2.49 -0.03 0.00 0.41 0.00 0.00 41.25 39.14 3kb0 s ASN 157 CO 0.00 -1.13 0.65 0.28 -1.51 0.00 0.00 177.10 175.39 3kb0 s THR 158 N -2.98 4.75 0.21 1.60 -1.32 -1.26 -4.77 115.64 111.87 3kb0 s THR 158 Ca 0.58 -0.29 -0.09 0.00 -1.21 0.00 0.00 61.69 60.68 3kb0 s THR 158 Cb -0.13 -3.76 0.16 0.00 -1.51 0.00 0.00 72.50 67.26 3kb0 s THR 158 CO 0.50 -0.58 1.80 -0.08 -2.21 0.00 0.00 174.62 174.05 3kb0 h GLU 159 N 0.50 1.14 -0.50 7.08 4.81 -1.97 -1.84 114.58 123.80 3kb0 h GLU 159 Ca -0.48 -0.17 -0.04 0.00 -0.13 0.00 0.00 59.36 58.53 3kb0 h GLU 159 Cb 1.22 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 3kb0 h GLU 159 CO 0.60 0.89 0.15 0.93 -0.73 0.00 0.00 179.01 180.86 3kb0 h GLU 160 N 1.11 0.78 -0.49 1.92 5.08 -1.99 -0.86 114.58 120.13 3kb0 h GLU 160 Ca 0.27 -0.17 -0.06 0.00 -1.00 0.00 0.00 59.36 58.40 3kb0 h GLU 160 Cb 0.14 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3kb0 h GLU 160 CO -0.03 0.73 0.06 -0.44 -1.00 0.00 0.00 179.01 178.33 3kb0 h ASP 161 N 0.68 0.80 -0.44 1.42 5.19 -1.94 -1.00 116.42 121.13 3kb0 h ASP 161 Ca 0.16 -0.27 -0.08 0.00 -0.62 0.00 0.00 57.03 56.22 3kb0 h ASP 161 Cb 0.28 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 39.56 3kb0 h ASP 161 CO -0.00 0.87 -0.02 0.71 -3.12 0.00 0.00 179.24 177.68 3kb0 h THR 162 N 0.70 1.26 -0.25 0.35 1.35 -1.13 -1.67 112.91 113.54 3kb0 h THR 162 Ca 0.15 -1.08 -0.01 0.00 -0.55 0.00 0.00 66.41 64.92 3kb0 h THR 162 Cb 0.43 1.08 -0.01 0.00 -1.73 0.00 0.00 68.15 67.92 3kb0 h THR 162 CO 0.01 0.37 0.13 0.50 -0.25 0.00 0.00 175.52 176.28 3kb0 h LYS 163 N 0.63 0.35 -0.44 4.72 3.64 -1.07 -1.13 116.57 123.27 3kb0 h LYS 163 Ca 0.12 -0.04 0.08 0.00 -1.27 0.00 0.00 60.65 59.54 3kb0 h LYS 163 Cb 0.53 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 32.21 3kb0 h LYS 163 CO 0.03 0.33 0.04 1.98 -2.27 0.00 0.00 179.45 179.55 3kb0 h MET 164 N 0.28 0.15 0.20 1.90 4.05 -1.07 0.16 114.93 120.59 3kb0 h MET 164 Ca 0.09 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.49 3kb0 h MET 164 Cb 0.08 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 30.85 3kb0 h MET 164 CO -0.01 0.10 -0.10 0.35 0.23 0.00 0.00 176.91 177.48 3kb0 h PHE 165 N 0.15 -0.25 -0.32 1.39 3.57 -1.02 -2.23 116.94 118.22 3kb0 h PHE 165 Ca 0.22 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.66 3kb0 h PHE 165 Cb 0.31 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 3kb0 h PHE 165 CO -0.26 -0.06 0.00 0.28 -2.23 0.00 0.00 178.31 176.05 3kb0 h VAL 166 N -0.39 1.26 -0.99 1.41 2.07 -1.09 -2.31 116.25 116.21 3kb0 h VAL 166 Ca -0.03 -0.95 0.06 0.00 0.82 0.00 0.00 66.70 66.60 3kb0 h VAL 166 Cb 0.30 1.23 -0.06 0.00 -1.52 0.00 0.00 31.29 31.24 3kb0 h VAL 166 CO 0.05 0.31 0.64 0.44 0.02 0.00 0.00 177.57 179.02 3kb0 h ASP 167 N 0.38 1.04 0.02 0.57 3.32 -0.74 -0.71 116.42 120.30 3kb0 h ASP 167 Ca 0.09 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.17 3kb0 h ASP 167 Cb 0.44 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 3kb0 h ASP 167 CO 0.02 0.68 -0.14 0.74 -1.72 0.00 0.00 179.24 178.81 3kb0 h THR 168 N 1.18 0.65 -0.20 0.35 2.02 -1.12 -0.46 112.91 115.33 3kb0 h THR 168 Ca 0.42 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.60 3kb0 h THR 168 Cb 0.11 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 3kb0 h THR 168 CO -0.16 0.00 0.12 0.58 0.37 0.00 0.00 175.52 176.43 3kb0 h VAL 169 N -0.25 1.03 -0.65 3.16 2.07 -0.85 -1.38 116.25 119.38 3kb0 h VAL 169 Ca 0.04 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 3kb0 h VAL 169 Cb 0.30 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 3kb0 h VAL 169 CO -0.12 0.05 0.35 0.58 0.02 0.00 0.00 177.57 178.44 3kb0 h VAL 170 N 0.25 1.21 -0.61 2.57 2.07 -1.09 -1.67 116.25 118.97 3kb0 h VAL 170 Ca 0.08 -0.54 -0.05 0.00 0.82 0.00 0.00 66.70 67.01 3kb0 h VAL 170 Cb -0.01 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 3kb0 h VAL 170 CO -0.03 0.23 0.17 0.50 0.02 0.00 0.00 177.57 178.46 3kb0 h LYS 171 N 0.89 0.96 -0.81 1.57 1.63 -0.92 -0.71 116.57 119.18 3kb0 h LYS 171 Ca 0.23 -0.22 0.05 0.00 -0.85 0.00 0.00 60.65 59.86 3kb0 h LYS 171 Cb 0.06 -0.13 -0.06 0.00 -0.60 0.00 0.00 32.23 31.50 3kb0 h LYS 171 CO -0.03 0.86 0.50 -0.07 -3.45 0.00 0.00 179.45 177.26 3kb0 h LEU 172 N 0.88 0.80 -0.24 5.20 3.38 -0.96 -0.74 115.31 123.63 3kb0 h LEU 172 Ca 0.19 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 3kb0 h LEU 172 Cb 0.32 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3kb0 h LEU 172 CO -0.00 0.53 0.01 0.78 0.09 0.00 0.00 178.44 179.85 3kb0 h ASN 173 N 0.94 0.42 0.45 -0.43 2.35 -0.92 -2.15 115.58 116.23 3kb0 h ASN 173 Ca 0.34 -0.30 -0.07 0.00 -0.55 0.00 0.00 56.30 55.72 3kb0 h ASN 173 Cb 0.11 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 3kb0 h ASN 173 CO -0.15 0.61 -0.34 -0.07 -1.65 0.00 0.00 177.43 175.83 3kb0 h LEU 174 N 0.21 0.00 -0.39 1.61 3.38 -0.82 0.72 115.31 120.01 3kb0 h LEU 174 Ca 0.07 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.88 3kb0 h LEU 174 Cb 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3kb0 h LEU 174 CO 0.01 0.34 -0.40 1.56 0.09 0.00 0.00 178.44 180.04 3kb0 h GLN 175 N 0.00 0.94 -0.09 1.13 4.20 -0.97 -1.56 115.11 118.75 3kb0 h GLN 175 Ca -0.00 -0.50 -0.15 0.00 0.06 0.00 0.00 58.65 58.06 3kb0 h GLN 175 Cb 0.65 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 3kb0 h GLN 175 CO 0.04 1.16 -0.59 -0.22 -0.67 0.00 0.00 178.83 178.55 3kb0 h LYS 176 N 0.76 0.29 -0.77 1.46 3.64 -0.96 -1.59 116.57 119.41 3kb0 h LYS 176 Ca 0.06 -0.20 0.02 0.00 -1.27 0.00 0.00 60.65 59.26 3kb0 h LYS 176 Cb 1.00 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.80 3kb0 h LYS 176 CO 0.10 0.80 0.50 1.25 -2.27 0.00 0.00 179.45 179.82 3kb0 h LEU 177 N 0.22 0.85 -0.56 5.20 5.85 -0.74 -0.85 115.31 125.27 3kb0 h LEU 177 Ca -0.00 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 3kb0 h LEU 177 Cb 1.10 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 3kb0 h LEU 177 CO 0.09 0.60 0.32 1.23 -0.34 0.00 0.00 178.44 180.34 3kb0 h GLY 178 N 1.00 0.83 0.90 3.75 0.00 -0.84 -0.83 103.07 107.87 3kb0 h GLY 178 Ca 0.29 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 3kb0 h GLY 178 CO -0.09 0.35 0.08 -2.08 0.00 0.00 0.00 176.54 174.80 3kb0 h VAL 179 N 0.75 1.15 -0.12 4.60 2.07 -1.01 -0.81 116.25 122.88 3kb0 h VAL 179 Ca 0.20 -0.43 0.02 0.00 0.82 0.00 0.00 66.70 67.31 3kb0 h VAL 179 Cb 0.02 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 3kb0 h VAL 179 CO -0.03 0.14 -0.00 0.00 0.02 0.00 0.00 177.57 177.70 3kb0 h ALA 180 N 0.93 0.11 -0.27 1.67 0.00 -1.03 -1.32 119.26 119.36 3kb0 h ALA 180 Ca 0.06 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3kb0 h ALA 180 Cb 0.15 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3kb0 h ALA 180 CO -0.01 -0.45 -0.07 0.00 0.00 0.00 0.00 179.25 178.72 3kb0 h ALA 181 N 1.10 1.38 0.00 0.00 0.00 -1.03 -1.18 119.26 119.54 3kb0 h ALA 181 Ca 0.06 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 3kb0 h ALA 181 Cb 0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3kb0 h ALA 181 CO -0.10 0.43 -0.97 0.00 0.00 0.00 0.00 179.25 178.61 3kb0 h THR 182 N 0.41 0.64 0.00 0.00 1.03 -0.96 -3.44 112.91 110.59 3kb0 h THR 182 Ca 0.08 -2.04 0.00 0.00 -0.01 0.00 0.00 66.41 64.44 3kb0 h THR 182 Cb 0.38 2.18 0.00 0.00 -1.07 0.00 0.00 68.15 69.65 3kb0 h THR 182 CO 0.02 0.37 0.00 -1.54 -0.01 0.00 0.00 175.52 174.35 3kb0 n SER 183 N -3.03 0.00 -4.72 0.00 3.41 -0.51 -5.06 113.62 103.70 3kb0 n SER 183 Ca -0.04 -0.38 -0.24 0.00 -0.26 0.00 0.00 58.87 57.95 3kb0 n SER 183 Cb 0.78 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.66 3kb0 n SER 183 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kb0 s ALA 184 N 0.00 3.34 0.51 7.33 0.00 -0.45 -5.03 121.76 127.46 3kb0 s ALA 184 Ca 0.00 -1.47 -0.22 0.00 0.00 0.00 0.00 51.96 50.27 3kb0 s ALA 184 Cb 0.00 -1.05 -0.06 0.00 0.00 0.00 0.00 23.12 22.01 3kb0 s ALA 184 CO 0.00 0.34 1.23 -2.14 0.00 0.00 0.00 175.76 175.19 3kb0 s PRO 185 N -3.49 3.43 0.70 0.00 0.02 -1.26 -4.80 135.00 129.60 3kb0 s PRO 185 Ca 0.31 1.92 -0.12 0.00 0.02 0.00 0.00 61.00 63.14 3kb0 s PRO 185 Cb -0.08 -2.28 0.01 0.00 0.02 0.00 0.00 34.50 32.18 3kb0 s PRO 185 CO 0.21 -0.86 1.07 -1.64 -0.33 0.00 0.00 177.00 175.46 3kb0 s MET 186 N -2.88 2.79 0.19 5.54 -1.94 -1.26 -4.94 119.30 116.81 3kb0 s MET 186 Ca 0.68 1.07 -0.33 0.00 -1.71 0.00 0.00 55.69 55.41 3kb0 s MET 186 Cb -0.32 -1.97 -0.14 0.00 2.01 0.00 0.00 34.83 34.41 3kb0 s MET 186 CO 0.38 -1.22 1.41 1.58 -0.01 0.00 0.00 175.02 177.16 3kb0 n HIS 187 N -3.05 1.98 0.00 -0.03 -0.00 -1.26 -5.24 115.22 107.61 3kb0 n HIS 187 Ca 0.08 0.45 0.00 0.00 0.46 0.00 0.00 57.72 58.71 3kb0 n HIS 187 Cb 0.53 -2.44 0.00 0.00 -0.12 0.00 0.00 29.99 27.96 3kb0 n HIS 187 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55